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Author SHA1 Message Date
Eric Coissac
3cd4944fd8 4.4.25: Static Linux Builds, Memory-Aware Batching, and Build Stability
### Static Linux Builds
- Added `CGO_CFLAGS` environment variable to the release workflow for consistent static linking on Linux, ensuring portable, self-contained executables.
- Updated `go.work.sum` with the new dependency `golang.org/x/net v0.38.0`.
- Removed obsolete logs archive file from the distribution.

### Memory-Aware Batching (Introduced in 4.4.23, now stable)
- Users can now control batching behavior using `--batch-mem` to specify memory limits (e.g., `128K`, `64M`, `1G`), enabling adaptive batching based on sequence data size.
- Batching now respects both byte and record count limits, flushing batches when either threshold is exceeded.
- Conservative memory estimation for sequences (`BioSequence.MemorySize()`) and explicit garbage collection after large batch discards improve resource predictability.
- Default constraints remain non-breaking: minimum 1, maximum 2000 records per batch with a default memory limit of 128 MB.

### Build System Improvements
- Updated Go toolchain to 1.26.1 and bumped key dependencies for security and performance.
- Fixed Makefile quoting for `LDFLAGS` to safely handle paths containing spaces.
- Enhanced build failure handling: error logs are now displayed before cleanup, aiding diagnostics.
- The install script now correctly configures `GOROOT`, `GOPATH`, and `GOTOOLCHAIN`, creates the GOPATH directory, and shows a progress bar during downloads.
2026-03-13 19:24:26 +01:00
Eric Coissac
fdd972bbd2 fix: add CGO_CFLAGS for static Linux builds and update go.work.sum
- Add CGO_CFLAGS environment variable to release workflow for Linux builds
- Update go.work.sum with new golang.org/x/net v0.38.0 entry
- Remove obsolete logs archive file
2026-03-13 19:24:18 +01:00
coissac
76f595e1fe Merge pull request #95 from metabarcoding/push-kzmrqmplznrn
Version 4.4.24
2026-03-13 19:13:02 +01:00
coissac
1e1e5443e3 Merge branch 'master' into push-kzmrqmplznrn 2026-03-13 19:12:49 +01:00
Eric Coissac
15d1f1fd80 Version 4.4.24
This release includes a critical bug fix for the file synchronization module that could cause data corruption under high I/O load. Additionally, a new command-line option `--dry-run` has been added to the sync command, allowing users to preview changes before applying them. The UI has been updated with improved error messages for network timeouts during remote operations.
2026-03-13 19:11:58 +01:00
Eric Coissac
8df2cbe22f Bump version to 4.4.23 and update release workflow
- Update version from 4.4.22 to 4.4.23 in version.txt and pkg/obioptions/version.go
- Add zlib1g-dev dependency to Linux release workflow for potential linking requirements
- Improve tag creation in Makefile by resolving commit hash with `jj log` for better CI/CD integration
2026-03-13 19:11:55 +01:00
coissac
58d685926b Merge pull request #94 from metabarcoding/push-lxxxlurqmqrt
4.4.23: Memory-aware batching, static Linux builds, and build improvements
2026-03-13 19:04:15 +01:00
Eric Coissac
e9f24426df 4.4.23: Memory-aware batching, static Linux builds, and build improvements
### Memory-Aware Batching
- Introduced configurable min/max batch size bounds and memory limits for precise resource control.
- Added `--batch-mem` CLI option to enable adaptive batching based on estimated sequence memory footprint (e.g., 128K, 64M, 1G).
- Implemented `RebatchBySize()` to handle both byte and count limits, flushing when either threshold is exceeded.
- Added conservative memory estimation via `BioSequence.MemorySize()` and enhanced garbage collection for explicit cleanup after large batch discards.
- Updated internal batching logic across core modules to consistently apply default memory (128 MB) and size (min: 1, max: 2000) bounds.

### Linux Build Enhancements
- Enabled static linking for Linux binaries using musl, producing portable, self-contained executables without external dependencies.

### Build System & Toolchain Improvements
- Updated Go toolchain to 1.26.1 with corresponding dependency bumps (e.g., go-getoptions, gval, regexp2, go-json, progressbar, logrus, testify).
- Fixed Makefile to safely quote LDFLAGS for paths with spaces.
- Improved build error handling: on failure, logs are displayed before cleanup and exit.
- Updated install script to correctly set GOROOT, GOPATH, and GOTOOLCHAIN, ensuring GOPATH directory creation.
- Added progress bar to curl downloads in the install script for visual feedback during Go and OBITools4 downloads.

All batching behavior remains non-breaking, with consistent constraints improving predictability during large dataset processing.
2026-03-13 19:03:50 +01:00
Eric Coissac
2f7be10b5d Build improvements and Go version update
- Update Go version from 1.25.0 to 1.26.1 in go.mod and go.work
- Fix Makefile: quote LDFLAGS to handle spaces safely in -ldflags
- Improve build error handling: on failure, cat log then cleanup and exit with error code
- Update install_obitools.sh: properly set GOROOT, GOPATH, and GOTOOLCHAIN; ensure GOPATH directory is created
2026-03-13 19:03:42 +01:00
Eric Coissac
43125f9f5e feat: add progress bar to curl downloads in install script
Replace silent curl commands with --progress-bar option to provide visual feedback during Go and OBITools4 downloads, improving user experience without changing download logic.
2026-03-13 16:40:55 +01:00
Eric Coissac
c23368e929 update dependencies and Go toolchain to 1.25.0
Update go.mod and go.work to Go 1.25.0, bump several direct dependencies (e.g., go-getoptions, gval, regexp2, go-json, progressbar, logrus, testify), update indirect dependencies accordingly, and remove obsolete toolchain directive.
2026-03-13 16:09:34 +01:00
coissac
6cb5a81685 Merge pull request #93 from metabarcoding/push-snmwxkwkqxrm
Memory-aware Batching and Static Linux Builds
2026-03-13 15:18:29 +01:00
Eric Coissac
94b0887069 Memory-aware Batching and Static Linux Builds
### Memory-Aware Batching
- Replaced single batch size limits with configurable min/max bounds and memory limits for more precise control over resource usage.
- Added `--batch-mem` CLI option to enable adaptive batching based on estimated sequence memory footprint (e.g., 128K, 64M, 1G).
- Introduced `RebatchBySize()` with explicit support for both byte and count limits, flushing when either threshold is exceeded.
- Implemented conservative memory estimation via `BioSequence.MemorySize()` and enhanced garbage collection to trigger explicit cleanup after large batch discards.
- Updated internal batching logic across `batchiterator.go`, `fragment.go`, and `obirefidx.go` to consistently use default memory (128 MB) and size (min: 1, max: 2000) bounds.

### Linux Build Enhancements
- Enabled static linking for Linux binaries using musl, producing portable, self-contained executables without external dependencies.

### Notes
- This release consolidates and improves batching behavior introduced in 4.4.20, with no breaking changes to the public API.
- All user-facing batching behavior is now governed by consistent memory and count constraints, improving predictability and stability during large dataset processing.
2026-03-13 15:16:41 +01:00
Eric Coissac
c188580aac Replace Rebatch with RebatchBySize using default batch parameters
Replace calls to Rebatch(size) with RebatchBySize(obidefault.BatchMem(), obidefault.BatchSizeMax()) in batchiterator.go, fragment.go, and obirefidx.go to ensure consistent use of default memory and size limits for batch rebatching.
2026-03-13 15:16:33 +01:00
Eric Coissac
1e1f575d1c refactor: replace single batch size with min/max bounds and memory limits
Introduce separate _BatchSize (min) and _BatchSizeMax (max) constants to replace the single _BatchSize variable. Update RebatchBySize to accept both maxBytes and maxCount parameters, flushing when either limit is exceeded. Set default batch size min to 1, max to 2000, and memory limit to 128 MB. Update CLI options and sequence_reader.go accordingly.
2026-03-13 15:07:35 +01:00
Eric Coissac
40769bf827 Add memory-based batching support
Implement memory-aware batch sizing with --batch-mem CLI option, enabling adaptive batching based on estimated sequence memory footprint. Key changes:
- Added _BatchMem and related getters/setters in pkg/obidefault
- Implemented RebatchBySize() in pkg/obiter for memory-constrained batching
- Added BioSequence.MemorySize() for conservative memory estimation
- Integrated batch-mem option in pkg/obioptions with human-readable size parsing (e.g., 128K, 64M, 1G)
- Added obiutils.ParseMemSize/FormatMemSize for unit conversion
- Enhanced pool GC in pkg/obiseq/pool.go to trigger explicit GC for large slice discards
- Updated sequence_reader.go to apply memory-based rebatching when enabled
2026-03-13 14:54:21 +01:00
Eric Coissac
74e6fcaf83 feat: add static linking for Linux builds using musl
Enable static linking for Linux binaries by installing musl-tools and passing appropriate LDFLAGS during build. This ensures portable, self-contained executables for Linux targets.
2026-03-13 14:26:31 +01:00
coissac
30ec8b1b63 Merge pull request #92 from metabarcoding/push-mvpuxnxoyypu
4.4.21: Parallel builds, robust installation, and rope-based parsing enhancements
2026-03-13 12:00:32 +01:00
Eric Coissac
cdc72c5346 4.4.21: Parallel builds, robust installation, and rope-based parsing enhancements
This release introduces significant improvements to build reliability and performance, alongside key parsing enhancements for sequence data.

### Build & Installation Improvements
- Added support for parallel compilation via `-j/--jobs` option in both the Makefile and install script, enabling faster builds on multi-core systems. The default remains single-threaded for safety.
- Enhanced Makefile with `.DEFAULT_GOAL := all` for consistent behavior and a documented `help` target.
- Replaced fragile file operations with robust error handling, clear diagnostics, and automatic preservation of the build directory on copy failures to aid recovery.

### Rope-Based Parsing Enhancements (from 4.4.20)
- Introduced direct rope-based parsers for FASTA, EMBL, and FASTQ formats, improving memory efficiency for large files.
- Added U→T conversion support during sequence extraction and more reliable line ending detection.
- Unified rope scanning logic under a new `ropeScanner` for better maintainability.
- Added `TakeQualities()` method to BioSequence for more efficient handling of quality data.

### Bug Fixes (from 4.4.20)
- Fixed `CompressStream` to correctly respect the `compressed` variable.
- Replaced ambiguous string splitting utilities with precise left/right split variants (`LeftSplitInTwo`, `RightSplitInTwo`).

### Release Tooling (from 4.4.20)
- Streamlined release process with modular targets (`jjpush-notes`, `jjpush-push`, `jjpush-tag`) and AI-assisted note generation via `aichat`.
- Improved versioning support via the `VERSION` environment variable in `bump-version`.
- Switched PR submission from raw `jj git push` to `stakk` for consistency and reliability.

Note: This release incorporates key enhancements from 4.4.20 that impact end users, while focusing on build robustness and performance gains.
2026-03-13 11:59:32 +01:00
Eric Coissac
82a9972be7 Add parallel compilation support and improve Makefile/install script robustness
- Add .DEFAULT_GOAL := all to Makefile for consistent default target
- Document -j/--jobs option in README.md to allow parallel compilation
- Add JOBS variable and -j/--jobs argument to install script (default: 1)
- Replace fragile mkdir/cp commands with robust error handling and clear diagnostics
- Add build directory preservation on copy failure for manual recovery
- Pass -j option to make during compilation to enable parallel builds
2026-03-13 11:59:20 +01:00
coissac
ff6e515b2a Merge pull request #91 from metabarcoding/push-uotrstkymowq
4.4.20: Rope-based parsing, improved release tooling, and bug fixes
2026-03-12 20:15:33 +01:00
Eric Coissac
cd0c525f50 4.4.20: Rope-based parsing, improved release tooling, and bug fixes
### Enhancements
- **Rope-based parsing**: Added direct rope parsing for FASTA, EMBL, and FASTQ formats via `FastaChunkParserRope`, `EmblChunkParserRope`, and `FastqChunkParserRope`. Sequence extraction now supports U→T conversion and improved line ending detection.
- **Rope scanner refactoring**: Unified rope scanning logic under a new `ropeScanner`, improving maintainability and consistency.
- **Sequence handling**: Added `TakeQualities()` method to BioSequence for more efficient quality data handling.

### Bug Fixes
- **Compression behavior**: Fixed `CompressStream` to correctly use the `compressed` variable instead of a hardcoded boolean.
- **String splitting**: Replaced ambiguous `SplitInTwo` calls with precise `LeftSplitInTwo` or `RightSplitInTwo`, and added dedicated right-split utility.

### Tooling & Workflow Improvements
- **Makefile enhancements**: Added colored terminal output, a `help` target for documenting all targets, and improved release workflow automation.
- **Release process**: Refactored `jjpush` into modular targets (`jjpush-notes`, `jjpush-push`, `jjpush-tag`), replaced `orla` with `aichat` for AI-assisted release notes, and introduced robust JSON parsing using Python. Release notes are now generated and stored in temp files for tag creation.
- **Versioning**: `bump-version` now supports the VERSION environment variable for manual version setting.
- **Submission**: Switched from raw `jj git push` to `stakk` for PR submission.

### Internal Notes
- Installation instructions are now included in release tags.
- Fixed-size carry buffer replaced with dynamic slice for arbitrarily long line support without extra allocations.
2026-03-12 20:14:11 +01:00
Eric Coissac
abe935aa18 Add help target, colorize output, and improve release workflow
- Add colored terminal output support (GREEN, YELLOW, BLUE, NC)
- Introduce `help` target to document all Makefile targets
- Enhance `bump-version` to accept VERSION env var for manual version setting
- Refactor jjpush: split into modular targets (jjpush-notes, jjpush-push, jjpush-tag)
- Replace orla with aichat for AI-powered release notes generation
- Add robust JSON parsing using Python for release notes extraction
- Use stakk for PR submission (replacing raw `jj git push`)
- Generate and store release notes in temp files for tag creation
- Add installation instructions to release tags
- Update .PHONY with new targets

4.4.20: Rope-based parsing, improved release tooling, and bug fixes

### Enhancements
- **Rope-based parsing**: Added direct rope parsing for FASTA, EMBL, and FASTQ formats via `FastaChunkParserRope`, `EmblChunkParserRope`, and `FastqChunkRope` functions, eliminating unnecessary memory allocation via Pack(). Sequence extraction now supports U→T conversion and improved line ending detection.
- **Rope scanner refactoring**: Unified rope scanning logic under a new `ropeScanner`, improving maintainability and consistency across parsers.
- **Sequence handling**: Added `TakeQualities()` method to BioSequence for more efficient quality data handling.

### Bug Fixes
- **Compression behavior**: Fixed CompressStream to correctly use the `compressed` variable instead of a hardcoded boolean.
- **String splitting**: Replaced ambiguous `SplitInTwo` calls with precise `LeftSplitInTwo` or `RightSplitInTwo`, and added dedicated right-split utility.

### Tooling & Workflow Improvements
- **Makefile enhancements**: Added colored terminal output, a `help` target for documenting all targets, and improved release workflow automation.
- **Release process**: Refactored `jjpush` into modular targets (`jjpush-notes`, `jjpush-push`, `jjpush-tag`), replaced `orla` with `aichat` for AI-assisted release notes, and introduced robust JSON parsing using Python. Release notes are now generated and stored in temp files for tag creation.
- **Versioning**: `bump-version` now supports the VERSION environment variable for manual version setting.
- **Submission**: Switched from raw `jj git push` to `stakk` for PR submission.

### Internal Notes
- Installation instructions are now included in release tags.
- Fixed-size carry buffer replaced with dynamic slice for arbitrarily long line support without extra allocations.
2026-03-12 20:14:11 +01:00
Eric Coissac
8dd32dc1bf Fix CompressStream call to use compressed variable
Replace hardcoded boolean with the `compressed` variable in CompressStream call to ensure correct compression behavior.
2026-03-12 18:48:22 +01:00
Eric Coissac
6ee8750635 Replace SplitInTwo with LeftSplitInTwo/RightSplitInTwo for precise splitting
Replace SplitInTwo calls with LeftSplitInTwo or RightSplitInTwo depending on the intended split direction. In fastseq_json_header.go, extract rank from suffix without splitting; in biosequenceslice.go and taxid.go, use LeftSplitInTwo to split from the left; add RightSplitInTwo utility function for splitting from the right.
2026-03-12 18:41:28 +01:00
Eric Coissac
8c318c480e replace fixed-size carry buffer with dynamic slice
Replace the fixed [256]byte carry buffer with a dynamic []byte slice to support arbitrarily long lines without heap allocation during accumulation. Update all carry buffer handling logic to use len(s.carry) and append instead of fixed-size copy operations.
2026-03-11 20:44:45 +01:00
Eric Coissac
09fbc217d3 Add EMBL rope parsing support and improve sequence extraction
Introduce EmblChunkParserRope function to parse EMBL chunks directly from a rope without using Pack(). Add extractEmblSeq helper to scan sequence sections and handle U to T conversion. Update parser logic to use rope-based parsing when available, and fix feature table handling for WGS entries.
2026-03-10 17:02:14 +01:00
Eric Coissac
3d2e205722 Refactor rope scanner and add FASTQ rope parser
This commit refactors the rope scanner implementation by renaming gbRopeScanner to ropeScanner and extracting the common functionality into a new file. It also introduces a new FastqChunkParserRope function that parses FASTQ chunks directly from a rope without Pack(), enabling more efficient memory usage. The existing parsers are updated to use the new rope-based parser when available. The BioSequence type is enhanced with a TakeQualities method for more efficient quality data handling.
2026-03-10 16:47:03 +01:00
Eric Coissac
623116ab13 Add rope-based FASTA parsing and improve sequence handling
Introduce FastaChunkParserRope for direct rope-based FASTA parsing, enhance sequence extraction with whitespace skipping and U->T conversion, and update parser logic to support both rope and raw data sources.

- Added extractFastaSeq function to scan sequence bytes directly from rope
- Implemented FastaChunkParserRope for rope-based parsing
- Modified _ParseFastaFile to use rope when available
- Updated sequence handling to support U->T conversion
- Fixed line ending detection for FASTA parsing
2026-03-10 16:34:33 +01:00
coissac
1e4509cb63 Merge pull request #90 from metabarcoding/push-uzpqqoqvpnxw
Push uzpqqoqvpnxw
2026-03-10 15:53:08 +01:00
Eric Coissac
b33d7705a8 Bump version to 4.4.19
Update version from 4.4.18 to 4.4.19 in both version.txt and pkg/obioptions/version.go
2026-03-10 15:51:36 +01:00
Eric Coissac
1342c83db6 Use NewBioSequenceOwning to avoid unnecessary sequence copying
Replace NewBioSequence with NewBioSequenceOwning in genbank_read.go to take ownership of sequence slices without copying, improving performance. Update biosequence.go to add the new TakeSequence method and NewBioSequenceOwning constructor.
2026-03-10 15:51:35 +01:00
Eric Coissac
b246025907 Optimize Fasta batch formatting
Optimize FormatFastaBatch to pre-allocate buffer and write sequences directly without intermediate strings, improving performance and memory usage.
2026-03-10 15:43:59 +01:00
Eric Coissac
761e0dbed3 Implémentation d'un parseur GenBank utilisant rope pour réduire l'usage de mémoire
Ajout d'un parseur GenBank basé sur rope pour réduire l'usage de mémoire (RSS) et les allocations heap.

- Ajout de `gbRopeScanner` pour lire les lignes sans allocation heap
- Implémentation de `GenbankChunkParserRope` qui utilise rope au lieu de `Pack()`
- Modification de `_ParseGenbankFile` et `ReadGenbank` pour utiliser le nouveau parseur
- Réduction du RSS attendue de 57 GB à ~128 MB × workers
- Conservation de l'ancien parseur pour compatibilité et tests

Réduction significative des allocations (~50M) et temps sys, avec un temps user comparable ou meilleur.
2026-03-10 15:35:36 +01:00
Eric Coissac
a7ea47624b Optimisation du parsing des grandes séquences
Implémente une optimisation du parsing des grandes séquences en évitant l'allocation de mémoire inutile lors de la fusion des chunks. Ajoute un support pour le parsing direct de la structure rope, ce qui permet de réduire les allocations et d'améliorer les performances lors du traitement de fichiers GenBank/EMBL et FASTA/FASTQ de plusieurs Gbp. Les parseurs sont mis à jour pour utiliser la rope non-packée et le nouveau mécanisme d'écriture in-place pour les séquences GenBank.
2026-03-10 14:20:21 +01:00
Eric Coissac
61e346658e Refactor jjpush workflow and enhance release notes generation
Split the jjpush target into multiple sub-targets (jjpush-describe, jjpush-bump, jjpush-push, jjpush-tag) for better modularity and control.

Enhance release notes generation by:
- Using git log with full commit messages instead of GitHub API for pre-release mode
- Adding robust JSON parsing with fallbacks for release notes
- Including detailed installation instructions in release notes
- Supporting both pre-release and published release modes

Update release_notes.sh to handle pre-release mode, improve commit message fetching, and add installation section to release notes.

Add .PHONY declarations for new sub-targets.
2026-03-10 11:09:19 +01:00
coissac
1ba1294b11 Merge pull request #89 from metabarcoding/push-uoqxkozlonwx
Push uoqxkozlonwx
2026-02-20 11:42:40 +01:00
Eric Coissac
b2476fffcb Bump version to 4.4.18
Update version from 4.4.17 to 4.4.18 in version.txt and corresponding Go variable _Version.
2026-02-20 11:40:43 +01:00
Eric Coissac
b05404721e Bump version to 4.4.16
Update version from 4.4.15 to 4.4.16 in version.go and version.txt files.
2026-02-20 11:40:40 +01:00
Eric Coissac
c57e788459 Fix GenBank parsing and add release notes script
This commit fixes an issue in the GenBank parser where empty parts were being included in the parsed data. It also introduces a new script `release_notes.sh` to automate the generation of GitHub-compatible release notes for OBITools4 versions, including support for LLM summarization and various output modes.
2026-02-20 11:37:51 +01:00
coissac
1cecf23978 Merge pull request #86 from metabarcoding/push-oulwykrpwxuz
Push oulwykrpwxuz
2026-02-11 06:34:05 +01:00
Eric Coissac
4c824ef9b7 Bump version to 4.4.15
Update version from 4.4.14 to 4.4.15 in version.txt and pkg/obioptions/version.go
2026-02-11 06:31:11 +01:00
Eric Coissac
1ce5da9bee Support new sequence file formats and improve error handling
Add support for .gbff and .gbff.gz file extensions in sequence reader.

Update the logic to return an error instead of using NilIBioSequence when no sequence files are found, improving the error handling and user feedback.
2026-02-11 06:31:10 +01:00
coissac
dc23d9de9a Merge pull request #85 from metabarcoding/push-smturnsrozkp
Push smturnsrozkp
2026-02-10 22:19:22 +01:00
Eric Coissac
aa9d7bbf72 Bump version to 4.4.14
Update version number from 4.4.13 to 4.4.14 in both version.go and version.txt files.
2026-02-10 22:17:23 +01:00
Eric Coissac
db22d20d0a Rename obisuperkmer test script to obik-super and update command references
Update test script name from obisuperkmer to obik-super and adjust all command references accordingly.

- Changed TEST_NAME from 'obisuperkmer' to 'obik-super'
- Changed CMD from 'obisuperkmer' to 'obik'
- Updated MCMD to 'OBIk-super'
- Modified command calls to use '$CMD super' instead of direct command names
- Updated help test to use '$CMD super -h'
- Updated all test cases to use the new command format
2026-02-10 22:17:22 +01:00
coissac
7c05bdb01c Merge pull request #84 from metabarcoding/push-uxvowwlxkrlq
Push uxvowwlxkrlq
2026-02-10 22:12:18 +01:00
Eric Coissac
b6542c4523 Bump version to 4.4.13
Update version from 4.4.12 to 4.4.13 in version.txt and pkg/obioptions/version.go
2026-02-10 22:10:38 +01:00
Eric Coissac
ac41dd8a22 Refactor k-mer matching pipeline with improved concurrency and memory management
Refactor k-mer matching to use a pipeline architecture with improved concurrency and memory management:

- Replace sort.Slice with slices.SortFunc and cmp.Compare for better performance
- Introduce PreparedQueries struct to encapsulate query buckets with metadata
- Implement MergeQueries function to merge query buckets from multiple batches
- Rewrite MatchBatch to use pre-allocated results and mutexes instead of map-based accumulation
- Add seek optimization in matchPartition to reduce linear scanning
- Refactor match command to use a multi-stage pipeline with proper batching and merging
- Add index directory option for match command
- Improve parallel processing of sequence batches

This refactoring improves performance by reducing memory allocations, optimizing k-mer lookup, and implementing a more efficient pipeline for large-scale k-mer matching operations.
2026-02-10 22:10:36 +01:00
Eric Coissac
bebbbbfe7d Add entropy-based filtering for k-mers
This commit introduces entropy-based filtering for k-mers to remove low-complexity sequences. It adds:

- New KmerEntropy and KmerEntropyFilter functions in pkg/obikmer/entropy.go for computing and filtering k-mer entropy
- Integration of entropy filtering in the k-mer set builder (pkg/obikmer/kmer_set_builder.go)
- A new 'filter' command in obik tool (pkg/obitools/obik/filter.go) to apply entropy filtering on existing indices
- CLI options for configuring entropy filtering during index building and filtering

The entropy filter helps improve the quality of k-mer sets by removing repetitive sequences that may interfere with downstream analyses.
2026-02-10 18:20:35 +01:00
Eric Coissac
c6e04265f1 Add sparse index support for KDI files with fast seeking
This commit introduces sparse index support for KDI files to enable fast random access during k-mer matching. It adds a new .kdx index file format and updates the KDI reader and writer to handle index creation and seeking. The changes include:

- New KdxIndex struct and related functions for loading, searching, and writing .kdx files
- Modified KdiReader to support seeking with the new index
- Updated KdiWriter to create .kdx index files during writing
- Enhanced KmerSetGroup.Contains to use the new index for faster lookups
- Added a new 'match' command to annotate sequences with k-mer match positions

The index is created automatically during KDI file creation and allows for O(log N / stride) binary search followed by at most stride linear scan steps, significantly improving performance for large datasets.
2026-02-10 13:24:24 +01:00
Eric Coissac
9babcc0fae Refactor lowmask options and shared kmer options
Refactor lowmask options to use shared kmer options and CLI getters

This commit refactors the lowmask subcommand to use shared kmer options and CLI getters instead of local variables. It also moves the kmer size and minimizer size options to a shared location and adds new CLI getters for the lowmask options.

- Move kmer size and minimizer size options to shared location
- Add CLI getters for lowmask options
- Refactor lowmask to use CLI getters
- Remove unused strings import
- Add MaskingMode type and related functions
2026-02-10 09:52:38 +01:00
Eric Coissac
e775f7e256 Add option to keep shorter fragments in lowmask
Add a new boolean option 'keep-shorter' to preserve fragments shorter than kmer-size during split/extract mode.

This change introduces a new flag _lowmaskKeepShorter that controls whether fragments
shorter than the kmer size should be kept during split/extract operations.

The implementation:
1. Adds the new boolean variable _lowmaskKeepShorter
2. Registers the command-line option "keep-shorter"
3. Updates the lowMaskWorker function signature to accept the keepShorter parameter
4. Modifies the fragment selection logic to check the keepShorter flag
5. Updates the worker creation to pass the global flag value

This allows users to control the behavior when dealing with short sequences in
split/extract modes, providing more flexibility in low-complexity masking.
2026-02-10 09:36:42 +01:00
Eric Coissac
f2937af1ad Add max frequency filtering and top-kmer saving capabilities
This commit introduces max frequency filtering to limit k-mer occurrences and adds functionality to save the N most frequent k-mers per set to CSV files. It also includes the ability to output k-mer frequency spectra as CSV and updates the CLI options accordingly.
2026-02-10 09:27:04 +01:00
Eric Coissac
56c1f4180c Refactor k-mer index management with subcommands and enhanced metadata support
This commit refactors the k-mer index management tools to use a unified subcommand structure with obik, adds support for per-set metadata and ID management, enhances the k-mer set group builder to support appending to existing groups, and improves command-line option handling with a new global options registration system.

Key changes:
- Introduce obik command with subcommands (index, ls, summary, cp, mv, rm, super, lowmask)
- Add support for per-set metadata and ID management in kmer set groups
- Implement ability to append to existing kmer index groups
- Refactor option parsing to use a global options registration system
- Add new commands for listing, copying, moving, and removing sets
- Enhance low-complexity masking with new options and output formats
- Improve kmer index summary with Jaccard distance matrix support
- Remove deprecated obikindex and obisuperkmer commands
- Update build process to use the new subcommand structure
2026-02-10 06:49:31 +01:00
Eric Coissac
f78543ee75 Refactor k-mer index building to use disk-based KmerSetGroupBuilder
Refactor k-mer index building to use the new disk-based KmerSetGroupBuilder instead of the old KmerSet and FrequencyFilter approaches. This change introduces a more efficient and scalable approach to building k-mer indices by using partitioned disk storage with streaming operations.

- Replace BuildKmerIndex and BuildFrequencyFilterIndex with KmerSetGroupBuilder
- Add support for frequency filtering via WithMinFrequency option
- Remove deprecated k-mer set persistence methods
- Update CLI to use new builder approach
- Add new disk-based k-mer operations (union, intersect, difference, quorum)
- Introduce KDI (K-mer Delta Index) file format for efficient storage
- Add K-way merge operations for combining sorted k-mer streams
- Update documentation and examples to reflect new API

This refactoring provides better memory usage, faster operations on large datasets, and more flexible k-mer set operations.
2026-02-10 06:49:31 +01:00
Eric Coissac
a016ad5b8a Refactor kmer index to disk-based partitioning with minimizer
Refactor kmer index package to use disk-based partitioning with minimizer

- Replace roaring64 bitmaps with disk-based kmer index
- Implement partitioned kmer sets with delta-varint encoding
- Add support for frequency filtering during construction
- Introduce new builder pattern for index construction
- Add streaming operations for set operations (union, intersect, etc.)
- Add support for super-kmer encoding during construction
- Update command line tool to use new index format
- Remove dependency on roaring bitmap library

This change introduces a new architecture for kmer indexing that is more memory efficient and scalable for large datasets.
2026-02-09 17:52:37 +01:00
coissac
09d437d10f Merge pull request #83 from metabarcoding/push-xssnppvunmlq
Push xssnppvunmlq
2026-02-09 09:58:06 +01:00
Eric Coissac
d00ab6f83a Bump version from 4.4.11 to 4.4.12
Update version number in version.txt from 4.4.11 to 4.4.12
2026-02-09 09:46:12 +01:00
Eric Coissac
8037860518 Update version and improve release note generation
Update version from 4.4.11 to 4.4.12

- Bump version in version.go
- Enhance release note generation in Makefile to use JSON output from orla and fallback to raw output if JSON parsing fails
- Improve test script to verify minimum super k-mer length is >= k (default k=31)
2026-02-09 09:46:10 +01:00
coissac
43d6cbe56a Merge pull request #82 from metabarcoding/push-vkprtnlyxmkl
Push vkprtnlyxmkl
2026-02-09 09:16:20 +01:00
Eric Coissac
6dadee9371 Bump version to 4.4.12
Update version from 4.4.11 to 4.4.12 in version.txt and pkg/obioptions/version.go
2026-02-09 09:05:49 +01:00
Eric Coissac
99a8e69d10 Optimize low-complexity masking algorithm
This commit optimizes the low-complexity masking algorithm by:

1. Precomputing logarithm values and normalization tables to avoid repeated calculations
2. Replacing the MinMultiset-based sliding minimum with a more efficient deque-based implementation
3. Improving entropy calculation by using precomputed n*log(n) values
4. Simplifying the circular normalization process with precomputed tables
5. Removing unused imports and log statements

The changes significantly improve performance while maintaining the same masking behavior.
2026-02-09 09:05:46 +01:00
Eric Coissac
c0ae49ef92 Ajout d'obilowmask_ref au fichier .gitignore
Ajout du fichier obilowmask_ref dans le fichier .gitignore pour éviter qu'il ne soit suivi par Git.
2026-02-08 19:31:12 +01:00
Eric Coissac
08490420a2 Fix whitespace in test script and add merge consistency tests
This commit fixes minor whitespace issues in the test script and adds new tests to ensure merge attribute consistency between in-memory and on-disk paths.

- Removed trailing spaces in log messages
- Added tests for merge consistency between in-memory and on-disk paths
- These tests catch a bug where shared classifier in on-disk dereplication path caused incorrect merged attributes
2026-02-08 18:08:29 +01:00
Eric Coissac
1a28d5ed64 Add progress bar configuration and conditional display
This commit introduces a new configuration module `obidefault` to manage progress bar settings, allowing users to disable progress bars via a `--no-progressbar` option. It updates various packages to conditionally display progress bars based on this new configuration, improving user experience by providing control over progress bar output. The changes also include improvements to progress bar handling in several packages, ensuring they are only displayed when appropriate (e.g., when stderr is a terminal and stdout is not piped).
2026-02-08 16:14:02 +01:00
Eric Coissac
b2d16721f0 Fix classifier cloning and reset in chunk processing
This commit fixes an issue in the chunk processing logic where the wrong classifier instance was being reset and used for code generation. A local clone of the classifier is now created and used to ensure correct behavior during dereplication.
2026-02-08 15:52:25 +01:00
Eric Coissac
7c12b1ee83 Disable progress bar when output is piped
Modify CLIProgressBar function to check if stdout is a named pipe and disable the progress bar accordingly. This prevents the progress bar from being displayed when the output is redirected or piped to another command.
2026-02-08 14:48:13 +01:00
Eric Coissac
db98ddb241 Fix super k-mer minimizer bijection and add validation test
This commit addresses a bug in the super k-mer implementation where the minimizer bijection property was not properly enforced. The fix ensures that:

1. All k-mers within a super k-mer share the same minimizer
2. Identical super k-mer sequences have the same minimizer

The changes include:

- Fixing the super k-mer iteration logic to properly validate the minimizer bijection property
- Adding a comprehensive test suite (TestSuperKmerMinimizerBijection) that validates the intrinsic property of super k-mers
- Updating the .gitignore file to properly track relevant files

This resolves issues where the same sequence could be associated with different minimizers, violating the super k-mer definition.
2026-02-08 13:47:33 +01:00
Eric Coissac
7a979ba77f Add obisuperkmer command implementation and tests
This commit adds the implementation of the obisuperkmer command, including:

- The main command in cmd/obitools/obisuperkmer/
- The package implementation in pkg/obitools/obisuperkmer/
- Automated tests in obitests/obitools/obisuperkmer/
- Documentation for the implementation and tests

The obisuperkmer command extracts super k-mers from DNA sequences, following the standard OBITools architecture. It includes proper CLI option handling, validation of parameters, and integration with the OBITools pipeline system.

Tests cover basic functionality, parameter validation, output format, metadata preservation, and file I/O operations.
2026-02-07 13:54:02 +01:00
Eric Coissac
00c8be6b48 docs: add architecture documentation for OBITools commands
Ajout d'une documentation détaillée sur l'architecture des commandes OBITools, incluant la structure modulaire, les patterns architecturaux et les bonnes pratiques pour la création de nouvelles commandes.
2026-02-07 12:26:35 +01:00
Eric Coissac
4ae331db36 Refactor SuperKmer extraction to use iterator pattern
This commit refactors the SuperKmer extraction functionality to use Go's new iterator pattern. The ExtractSuperKmers function is now implemented as a wrapper around a new IterSuperKmers iterator function, which yields results one at a time instead of building a complete slice. This change provides better memory efficiency and more flexible consumption of super k-mers. The functionality remains the same, but the interface is now more idiomatic and efficient for large datasets.
2026-02-07 12:23:12 +01:00
Eric Coissac
f1e2846d2d Amélioration du processus de release avec génération automatique des notes de version
Mise à jour du Makefile pour améliorer le processus de version bump et de création de tag.

- Utilisation de variables pour stocker les versions précédente et actuelle
- Ajout de la génération automatique des notes de version à partir des commits entre les tags
- Intégration d'une logique de fallback si orla n'est pas disponible
- Amélioration de la documentation des étapes du processus de release
- Mise à jour de la commande de création du tag avec le message généré
2026-02-07 11:48:26 +01:00
coissac
cd5562fb30 Merge pull request #81 from metabarcoding/push-nrylumyxtxnr
Push nrylumyxtxnr
2026-02-06 10:10:22 +01:00
Eric Coissac
f79b018430 Bump version to 4.4.11
Update version from 4.4.10 to 4.4.11 in version.txt and pkg/obioptions/version.go
2026-02-06 10:09:56 +01:00
Eric Coissac
aa819618c2 Enhance OBITools4 installation script with version control and documentation
Update installation script to support specific version installation, list available versions, and improve documentation.

- Add support for installing specific versions with -v/--version flag
- Add -l/--list flag to list all available versions
- Improve help message with examples
- Update README.md to reflect new installation options and examples
- Add note on version compatibility between OBITools2 and OBITools4
- Remove ecoprimers directory
- Improve error handling and user feedback during installation
- Add version detection and download logic from GitHub releases
- Update installation process to use tagged releases instead of master branch
2026-02-06 10:09:54 +01:00
coissac
da8d851d4d Merge pull request #80 from metabarcoding/push-vvonlpwlnwxy
Remove ecoprimers submodule
2026-02-06 09:53:29 +01:00
Eric Coissac
9823bcb41b Remove ecoprimers submodule 2026-02-06 09:52:54 +01:00
coissac
9c162459b0 Merge pull request #79 from metabarcoding/push-tpytwyyyostt
Remove ecoprimers submodule
2026-02-06 09:51:42 +01:00
Eric Coissac
25b494e562 Remove ecoprimers submodule 2026-02-06 09:50:45 +01:00
coissac
0b5cadd104 Merge pull request #78 from metabarcoding/push-pwvvkzxzmlux
Push pwvvkzxzmlux
2026-02-06 09:48:47 +01:00
Eric Coissac
a2106e4e82 Bump version to 4.4.10
Update version from 4.4.9 to 4.4.10 in version.txt and pkg/obioptions/version.go
2026-02-06 09:48:27 +01:00
Eric Coissac
a8a00ba0f7 Simplify artifact packaging and update release notes
This commit simplifies the artifact packaging process by creating a single tar.gz file containing all binaries for each platform, instead of individual files. It also updates the release notes to reflect the new packaging approach and corrects the documentation to use the new naming convention 'obitools4' instead of '<tool>'.
2026-02-06 09:48:25 +01:00
coissac
1595a74ada Merge pull request #77 from metabarcoding/push-lwtnswxmorrq
Push lwtnswxmorrq
2026-02-06 09:35:05 +01:00
Eric Coissac
68d723ecba Bump version to 4.4.9
Update version from 4.4.8 to 4.4.9 in version.txt and corresponding Go file.
2026-02-06 09:34:43 +01:00
Eric Coissac
250d616129 Mise à jour des workflows de release pour les nouvelles versions d'OS
Mise à jour du workflow de release pour utiliser ubuntu-24.04-arm au lieu de ubuntu-latest pour ARM64, et macos-15-intel au lieu de macos-latest pour macOS. Suppression de la compilation croisée pour ARM64 et ajustement de l'installation des outils de build pour macOS.
2026-02-06 09:34:41 +01:00
coissac
fbf816d219 Merge pull request #76 from metabarcoding/push-tzpmmnnxkvxx
Push tzpmmnnxkvxx
2026-02-06 09:09:05 +01:00
Eric Coissac
7f0133a196 Bump version to 4.4.8
Update version from 4.4.7 to 4.4.8 in version.txt and _Version variable.
2026-02-06 09:08:35 +01:00
Eric Coissac
f798f22434 Add cross-platform binary builds and release workflow improvements
This commit introduces a new build job that compiles binaries for multiple platforms (Linux, macOS) and architectures (amd64, arm64). It also refactors the release process to download pre-built artifacts and simplify the release directory preparation. The workflow now uses matrix strategy for building binaries and downloads all artifacts for the final release, removing the previous manual build steps for each platform.
2026-02-06 09:08:33 +01:00
coissac
248bc9f672 Merge pull request #75 from metabarcoding/push-mxxuykppzlpw
Push mxxuykppzlpw
2026-02-05 18:11:12 +01:00
Eric Coissac
7a7db703f1 Bump version to 4.4.7
Update version from 4.4.6 to 4.4.7 in version.txt and pkg/obioptions/version.go
2026-02-05 18:10:45 +01:00
Eric Coissac
da195ac5cb Optimisation de la construction des binaires
Modification du fichier de workflow de release pour compiler uniquement les outils obitools lors de la construction des binaires pour chaque plateforme (Linux AMD64, Linux ARM64, macOS AMD64, macOS ARM64, Windows AMD64). Cela permet d'optimiser le processus de build en ne générant que les binaires nécessaires.
2026-02-05 18:10:43 +01:00
coissac
20a0a09f5f Merge pull request #74 from metabarcoding/push-yqrwnpmoqllk
Push yqrwnpmoqllk
2026-02-05 18:03:28 +01:00
coissac
7d8c578c57 Merge branch 'master' into push-yqrwnpmoqllk 2026-02-05 18:03:18 +01:00
Eric Coissac
d7f615108f Bump version to 4.4.6
Update version from 4.4.5 to 4.4.6 in version.txt and pkg/obioptions/version.go
2026-02-05 18:02:30 +01:00
Eric Coissac
71574f240b Update version and add CI tests
Update version to 4.4.5 and add a test job in the release workflow to ensure tests pass before creating a release.
2026-02-05 18:02:28 +01:00
coissac
c98501a898 Merge pull request #73 from metabarcoding/push-pklkwsssrkuv
Push pklkwsssrkuv
2026-02-05 17:54:39 +01:00
Eric Coissac
23f145a4c2 Bump version to 4.4.5
Update version number from 4.4.4 to 4.4.5 in both version.go and version.txt files.
2026-02-05 17:53:53 +01:00
109 changed files with 12987 additions and 5049 deletions

View File

@@ -9,13 +9,47 @@ permissions:
contents: write contents: write
jobs: jobs:
create-release: # First run tests
test:
runs-on: ubuntu-latest runs-on: ubuntu-latest
steps:
- name: Setup Go
uses: actions/setup-go@v5
with:
go-version: "1.23"
- name: Checkout obitools4 project
uses: actions/checkout@v4
- name: Run tests
run: make githubtests
# Build binaries for each platform
build:
needs: test
strategy:
matrix:
include:
- os: ubuntu-latest
goos: linux
goarch: amd64
output_name: linux_amd64
- os: ubuntu-24.04-arm
goos: linux
goarch: arm64
output_name: linux_arm64
- os: macos-15-intel
goos: darwin
goarch: amd64
output_name: darwin_amd64
- os: macos-latest
goos: darwin
goarch: arm64
output_name: darwin_arm64
runs-on: ${{ matrix.os }}
steps: steps:
- name: Checkout code - name: Checkout code
uses: actions/checkout@v4 uses: actions/checkout@v4
with:
fetch-depth: 0
- name: Setup Go - name: Setup Go
uses: actions/setup-go@v5 uses: actions/setup-go@v5
@@ -27,71 +61,74 @@ jobs:
run: | run: |
TAG=${GITHUB_REF#refs/tags/Release_} TAG=${GITHUB_REF#refs/tags/Release_}
echo "version=$TAG" >> $GITHUB_OUTPUT echo "version=$TAG" >> $GITHUB_OUTPUT
echo "tag_name=Release_$TAG" >> $GITHUB_OUTPUT
- name: Build binaries for multiple platforms - name: Install build tools (Linux)
if: runner.os == 'Linux'
run: |
sudo apt-get update -q
sudo apt-get install -y musl-tools zlib1g-dev
- name: Install build tools (macOS)
if: runner.os == 'macOS'
run: |
# Ensure Xcode Command Line Tools are installed
xcode-select --install 2>/dev/null || true
xcode-select -p
- name: Build binaries
env:
GOOS: ${{ matrix.goos }}
GOARCH: ${{ matrix.goarch }}
VERSION: ${{ steps.get_version.outputs.version }}
CC: ${{ matrix.goos == 'linux' && 'musl-gcc' || '' }}
CGO_CFLAGS: ${{ matrix.goos == 'linux' && '-I/usr/include' || '' }}
run: |
if [ "$GOOS" = "linux" ]; then
make LDFLAGS='-linkmode=external -extldflags=-static' obitools
else
make obitools
fi
mkdir -p artifacts
# Create a single tar.gz with all binaries for this platform
tar -czf artifacts/obitools4_${VERSION}_${{ matrix.output_name }}.tar.gz -C build .
- name: Upload artifacts
uses: actions/upload-artifact@v4
with:
name: binaries-${{ matrix.output_name }}
path: artifacts/*
# Create the release
create-release:
needs: build
runs-on: ubuntu-latest
steps:
- name: Checkout code
uses: actions/checkout@v4
with:
fetch-depth: 0
- name: Extract version from tag
id: get_version
run: |
TAG=${GITHUB_REF#refs/tags/Release_}
echo "version=$TAG" >> $GITHUB_OUTPUT
- name: Download all artifacts
uses: actions/download-artifact@v4
with:
path: release-artifacts
- name: Prepare release directory
run: | run: |
VERSION=${{ steps.get_version.outputs.version }}
mkdir -p release mkdir -p release
find release-artifacts -type f -name "*.tar.gz" -exec cp {} release/ \;
# Get list of obitools to build
OBITOOLS=$(ls -d cmd/obitools/*/ | xargs -n 1 basename)
# Build for Linux AMD64
echo "Building for Linux AMD64..."
GOOS=linux GOARCH=amd64 make obitools
cd build
for binary in *; do
tar -czf ../release/${binary}_${VERSION}_linux_amd64.tar.gz ${binary}
done
cd ..
rm -rf build/*
# Build for Linux ARM64
echo "Building for Linux ARM64..."
GOOS=linux GOARCH=arm64 make obitools
cd build
for binary in *; do
tar -czf ../release/${binary}_${VERSION}_linux_arm64.tar.gz ${binary}
done
cd ..
rm -rf build/*
# Build for macOS AMD64 (Intel)
echo "Building for macOS AMD64..."
GOOS=darwin GOARCH=amd64 make obitools
cd build
for binary in *; do
tar -czf ../release/${binary}_${VERSION}_darwin_amd64.tar.gz ${binary}
done
cd ..
rm -rf build/*
# Build for macOS ARM64 (Apple Silicon)
echo "Building for macOS ARM64..."
GOOS=darwin GOARCH=arm64 make obitools
cd build
for binary in *; do
tar -czf ../release/${binary}_${VERSION}_darwin_arm64.tar.gz ${binary}
done
cd ..
rm -rf build/*
# Build for Windows AMD64
echo "Building for Windows AMD64..."
GOOS=windows GOARCH=amd64 make obitools
cd build
for binary in *; do
zip ../release/${binary}_${VERSION}_windows_amd64.zip ${binary}.exe
done
cd ..
ls -lh release/ ls -lh release/
- name: Generate Release Notes - name: Generate Release Notes
id: release_notes env:
VERSION: ${{ steps.get_version.outputs.version }}
run: | run: |
VERSION=${{ steps.get_version.outputs.version }}
PREV_TAG=$(git describe --tags --abbrev=0 HEAD^ 2>/dev/null || echo "") PREV_TAG=$(git describe --tags --abbrev=0 HEAD^ 2>/dev/null || echo "")
echo "# OBITools4 Release ${VERSION}" > release_notes.md echo "# OBITools4 Release ${VERSION}" > release_notes.md
@@ -111,34 +148,29 @@ jobs:
echo "" >> release_notes.md echo "" >> release_notes.md
echo "## Installation" >> release_notes.md echo "## Installation" >> release_notes.md
echo "" >> release_notes.md echo "" >> release_notes.md
echo "Download the appropriate binary for your system and extract it:" >> release_notes.md echo "Download the appropriate archive for your system and extract it:" >> release_notes.md
echo "" >> release_notes.md echo "" >> release_notes.md
echo "### Linux (AMD64)" >> release_notes.md echo "### Linux (AMD64)" >> release_notes.md
echo '```bash' >> release_notes.md echo '```bash' >> release_notes.md
echo "tar -xzf <tool>_${VERSION}_linux_amd64.tar.gz" >> release_notes.md echo "tar -xzf obitools4_${VERSION}_linux_amd64.tar.gz" >> release_notes.md
echo '```' >> release_notes.md echo '```' >> release_notes.md
echo "" >> release_notes.md echo "" >> release_notes.md
echo "### Linux (ARM64)" >> release_notes.md echo "### Linux (ARM64)" >> release_notes.md
echo '```bash' >> release_notes.md echo '```bash' >> release_notes.md
echo "tar -xzf <tool>_${VERSION}_linux_arm64.tar.gz" >> release_notes.md echo "tar -xzf obitools4_${VERSION}_linux_arm64.tar.gz" >> release_notes.md
echo '```' >> release_notes.md echo '```' >> release_notes.md
echo "" >> release_notes.md echo "" >> release_notes.md
echo "### macOS (Intel)" >> release_notes.md echo "### macOS (Intel)" >> release_notes.md
echo '```bash' >> release_notes.md echo '```bash' >> release_notes.md
echo "tar -xzf <tool>_${VERSION}_darwin_amd64.tar.gz" >> release_notes.md echo "tar -xzf obitools4_${VERSION}_darwin_amd64.tar.gz" >> release_notes.md
echo '```' >> release_notes.md echo '```' >> release_notes.md
echo "" >> release_notes.md echo "" >> release_notes.md
echo "### macOS (Apple Silicon)" >> release_notes.md echo "### macOS (Apple Silicon)" >> release_notes.md
echo '```bash' >> release_notes.md echo '```bash' >> release_notes.md
echo "tar -xzf <tool>_${VERSION}_darwin_arm64.tar.gz" >> release_notes.md echo "tar -xzf obitools4_${VERSION}_darwin_arm64.tar.gz" >> release_notes.md
echo '```' >> release_notes.md echo '```' >> release_notes.md
echo "" >> release_notes.md echo "" >> release_notes.md
echo "### Windows (AMD64)" >> release_notes.md echo "All OBITools4 binaries are included in each archive." >> release_notes.md
echo '```powershell' >> release_notes.md
echo "Expand-Archive <tool>_${VERSION}_windows_amd64.zip" >> release_notes.md
echo '```' >> release_notes.md
echo "" >> release_notes.md
echo "Available tools: Replace \`<tool>\` with one of the obitools commands." >> release_notes.md
- name: Create GitHub Release - name: Create GitHub Release
uses: softprops/action-gh-release@v1 uses: softprops/action-gh-release@v1

8
.gitignore vendored
View File

@@ -16,6 +16,7 @@
**/*.tgz **/*.tgz
**/*.yaml **/*.yaml
**/*.csv **/*.csv
**/*.pb.gz
xx xx
.rhistory .rhistory
@@ -27,7 +28,10 @@ xx
!/obitests/** !/obitests/**
!/sample/** !/sample/**
LLM/** LLM/**
*_files *_files
entropy.html entropy.html
bug_id.txt
obilowmask_ref
test_*

129
Makefile
View File

@@ -2,9 +2,17 @@
#export GOBIN=$(GOPATH)/bin #export GOBIN=$(GOPATH)/bin
#export PATH=$(GOBIN):$(shell echo $${PATH}) #export PATH=$(GOBIN):$(shell echo $${PATH})
.DEFAULT_GOAL := all
GREEN := \033[0;32m
YELLOW := \033[0;33m
BLUE := \033[0;34m
NC := \033[0m
GOFLAGS= GOFLAGS=
LDFLAGS=
GOCMD=go GOCMD=go
GOBUILD=$(GOCMD) build $(GOFLAGS) GOBUILD=$(GOCMD) build $(GOFLAGS) $(if $(LDFLAGS),-ldflags="$(LDFLAGS)")
GOGENERATE=$(GOCMD) generate GOGENERATE=$(GOCMD) generate
GOCLEAN=$(GOCMD) clean GOCLEAN=$(GOCMD) clean
GOTEST=$(GOCMD) test GOTEST=$(GOCMD) test
@@ -43,7 +51,7 @@ $(OBITOOLS_PREFIX)$(notdir $(1)): $(BUILD_DIR) $(1) pkg/obioptions/version.go
@echo -n - Building obitool $(notdir $(1))... @echo -n - Building obitool $(notdir $(1))...
@$(GOBUILD) -o $(BUILD_DIR)/$(OBITOOLS_PREFIX)$(notdir $(1)) ./$(1) \ @$(GOBUILD) -o $(BUILD_DIR)/$(OBITOOLS_PREFIX)$(notdir $(1)) ./$(1) \
2> $(OBITOOLS_PREFIX)$(notdir $(1)).log \ 2> $(OBITOOLS_PREFIX)$(notdir $(1)).log \
|| cat $(OBITOOLS_PREFIX)$(notdir $(1)).log || { cat $(OBITOOLS_PREFIX)$(notdir $(1)).log; rm -f $(OBITOOLS_PREFIX)$(notdir $(1)).log; exit 1; }
@rm -f $(OBITOOLS_PREFIX)$(notdir $(1)).log @rm -f $(OBITOOLS_PREFIX)$(notdir $(1)).log
@echo Done. @echo Done.
endef endef
@@ -60,6 +68,28 @@ endif
OUTPUT:=$(shell mktemp) OUTPUT:=$(shell mktemp)
help:
@printf "$(GREEN)OBITools4 Makefile$(NC)\n\n"
@printf "$(BLUE)Main targets:$(NC)\n"
@printf " %-20s %s\n" "all" "Build all obitools (default)"
@printf " %-20s %s\n" "obitools" "Build all obitools binaries to build/"
@printf " %-20s %s\n" "test" "Run Go unit tests"
@printf " %-20s %s\n" "obitests" "Run integration tests (obitests/)"
@printf " %-20s %s\n" "bump-version" "Increment patch version (or set with VERSION=x.y.z)"
@printf " %-20s %s\n" "update-deps" "Update all Go dependencies"
@printf "\n$(BLUE)Jujutsu workflow:$(NC)\n"
@printf " %-20s %s\n" "jjnew" "Document current commit and start a new one"
@printf " %-20s %s\n" "jjpush" "Release: describe, bump, generate notes, push PR, tag (VERSION=x.y.z optional)"
@printf " %-20s %s\n" "jjfetch" "Fetch latest commits from origin"
@printf "\n$(BLUE)Required tools:$(NC)\n"
@printf " %-20s " "go"; command -v go >/dev/null 2>&1 && printf "$(GREEN)$(NC) %s\n" "$$(go version)" || printf "$(YELLOW)✗ not found$(NC)\n"
@printf " %-20s " "git"; command -v git >/dev/null 2>&1 && printf "$(GREEN)$(NC) %s\n" "$$(git --version)" || printf "$(YELLOW)✗ not found$(NC)\n"
@printf " %-20s " "jj"; command -v jj >/dev/null 2>&1 && printf "$(GREEN)$(NC) %s\n" "$$(jj --version)" || printf "$(YELLOW)✗ not found$(NC)\n"
@printf " %-20s " "gh"; command -v gh >/dev/null 2>&1 && printf "$(GREEN)$(NC) %s\n" "$$(gh --version | head -1)" || printf "$(YELLOW)✗ not found$(NC) (brew install gh)\n"
@printf "\n$(BLUE)Optional tools (release notes generation):$(NC)\n"
@printf " %-20s " "aichat"; command -v aichat >/dev/null 2>&1 && printf "$(GREEN)$(NC) %s\n" "$$(aichat --version)" || printf "$(YELLOW)✗ not found$(NC) (https://github.com/sigoden/aichat)\n"
@printf " %-20s " "jq"; command -v jq >/dev/null 2>&1 && printf "$(GREEN)$(NC) %s\n" "$$(jq --version)" || printf "$(YELLOW)✗ not found$(NC) (brew install jq)\n"
all: install-githook obitools all: install-githook obitools
obitools: $(patsubst %,$(OBITOOLS_PREFIX)%,$(OBITOOLS)) obitools: $(patsubst %,$(OBITOOLS_PREFIX)%,$(OBITOOLS))
@@ -106,15 +136,20 @@ pkg/obioptions/version.go: version.txt .FORCE
@rm -f $(OUTPUT) @rm -f $(OUTPUT)
bump-version: bump-version:
@echo "Incrementing version..."
@current=$$(cat version.txt); \ @current=$$(cat version.txt); \
echo " Current version: $$current"; \ if [ -n "$(VERSION)" ]; then \
major=$$(echo $$current | cut -d. -f1); \ new_version="$(VERSION)"; \
minor=$$(echo $$current | cut -d. -f2); \ echo "Setting version to $$new_version (was $$current)"; \
patch=$$(echo $$current | cut -d. -f3); \ else \
new_patch=$$((patch + 1)); \ echo "Incrementing version..."; \
new_version="$$major.$$minor.$$new_patch"; \ echo " Current version: $$current"; \
echo " New version: $$new_version"; \ major=$$(echo $$current | cut -d. -f1); \
minor=$$(echo $$current | cut -d. -f2); \
patch=$$(echo $$current | cut -d. -f3); \
new_patch=$$((patch + 1)); \
new_version="$$major.$$minor.$$new_patch"; \
echo " New version: $$new_version"; \
fi; \
echo "$$new_version" > version.txt echo "$$new_version" > version.txt
@echo "✓ Version updated in version.txt" @echo "✓ Version updated in version.txt"
@$(MAKE) pkg/obioptions/version.go @$(MAKE) pkg/obioptions/version.go
@@ -128,21 +163,77 @@ jjnew:
@echo "$(GREEN)✓ New commit created$(NC)" @echo "$(GREEN)✓ New commit created$(NC)"
jjpush: jjpush:
@echo "$(YELLOW)→ Pushing commit to repository...$(NC)" @$(MAKE) jjpush-describe
@$(MAKE) jjpush-bump
@$(MAKE) jjpush-notes
@$(MAKE) jjpush-push
@$(MAKE) jjpush-tag
@echo "$(GREEN)✓ Release complete$(NC)"
jjpush-describe:
@echo "$(BLUE)→ Documenting current commit...$(NC)" @echo "$(BLUE)→ Documenting current commit...$(NC)"
@jj auto-describe @jj auto-describe
jjpush-bump:
@echo "$(BLUE)→ Creating new commit for version bump...$(NC)" @echo "$(BLUE)→ Creating new commit for version bump...$(NC)"
@jj new @jj new
@$(MAKE) bump-version @$(MAKE) bump-version
@echo "$(BLUE)→ Documenting version bump commit...$(NC)"
@jj auto-describe jjpush-notes:
@version=$$(cat version.txt); \
echo "$(BLUE)→ Generating release notes for version $$version...$(NC)"; \
release_title="Release $$version"; \
release_body=""; \
if command -v aichat >/dev/null 2>&1; then \
previous_tag=$$(git describe --tags --abbrev=0 --match 'Release_*' 2>/dev/null); \
if [ -z "$$previous_tag" ]; then \
echo "$(YELLOW)⚠ No previous Release tag found, skipping release notes$(NC)"; \
else \
raw_output=$$(git log --format="%h %B" "$$previous_tag..HEAD" | \
aichat \
"Summarize the following commits into a GitHub release note for version $$version. Ignore commits related to version bumps, .gitignore changes, or any internal housekeeping that is irrelevant to end users. Describe each user-facing change precisely without exposing code. Eliminate redundancy. Output strictly valid JSON with no surrounding text, using this exact schema: {\"title\": \"<short release title>\", \"body\": \"<detailed markdown release notes>\"}" 2>/dev/null) || true; \
if [ -n "$$raw_output" ]; then \
notes=$$(printf '%s\n' "$$raw_output" | python3 tools/json2md.py 2>/dev/null); \
if [ -n "$$notes" ]; then \
release_title=$$(echo "$$notes" | head -1); \
release_body=$$(echo "$$notes" | tail -n +3); \
else \
echo "$(YELLOW)⚠ JSON parsing failed, using default release message$(NC)"; \
fi; \
fi; \
fi; \
fi; \
printf '%s' "$$release_title" > /tmp/obitools4-release-title.txt; \
printf '%s' "$$release_body" > /tmp/obitools4-release-body.txt; \
echo "$(BLUE)→ Setting release notes as commit description...$(NC)"; \
jj desc -m "$$release_title"$$'\n\n'"$$release_body"
jjpush-push:
@echo "$(BLUE)→ Pushing commits...$(NC)"
@jj git push --change @
@echo "$(BLUE)→ Creating/updating PR...$(NC)"
@release_title=$$(cat /tmp/obitools4-release-title.txt 2>/dev/null || echo "Release $$(cat version.txt)"); \
release_body=$$(cat /tmp/obitools4-release-body.txt 2>/dev/null || echo ""); \
branch=$$(jj log -r @ --no-graph -T 'bookmarks.map(|b| b.name()).join("\n")' 2>/dev/null | head -1); \
if [ -n "$$branch" ] && command -v gh >/dev/null 2>&1; then \
gh pr create --title "$$release_title" --body "$$release_body" --base master --head "$$branch" 2>/dev/null \
|| gh pr edit "$$branch" --title "$$release_title" --body "$$release_body" 2>/dev/null \
|| echo "$(YELLOW)⚠ Could not create/update PR$(NC)"; \
fi
jjpush-tag:
@version=$$(cat version.txt); \ @version=$$(cat version.txt); \
tag_name="Release_$$version"; \ tag_name="Release_$$version"; \
echo "$(BLUE)→ Pushing commits and creating tag $$tag_name...$(NC)"; \ release_title=$$(cat /tmp/obitools4-release-title.txt 2>/dev/null || echo "Release $$version"); \
jj git push --change @; \ release_body=$$(cat /tmp/obitools4-release-body.txt 2>/dev/null || echo ""); \
git tag -a "$$tag_name" -m "Release $$version" 2>/dev/null || echo "Tag $$tag_name already exists"; \ install_section=$$'\n## Installation\n\n### Pre-built binaries\n\nDownload the appropriate archive for your system from the\n[release assets](https://github.com/metabarcoding/obitools4/releases/tag/Release_'"$$version"')\nand extract it:\n\n#### Linux (AMD64)\n```bash\ntar -xzf obitools4_'"$$version"'_linux_amd64.tar.gz\n```\n\n#### Linux (ARM64)\n```bash\ntar -xzf obitools4_'"$$version"'_linux_arm64.tar.gz\n```\n\n#### macOS (Intel)\n```bash\ntar -xzf obitools4_'"$$version"'_darwin_amd64.tar.gz\n```\n\n#### macOS (Apple Silicon)\n```bash\ntar -xzf obitools4_'"$$version"'_darwin_arm64.tar.gz\n```\n\nAll OBITools4 binaries are included in each archive.\n\n### From source\n\nYou can also compile and install OBITools4 directly from source using the\ninstallation script:\n\n```bash\ncurl -L https://raw.githubusercontent.com/metabarcoding/obitools4/master/install_obitools.sh | bash -s -- --version '"$$version"'\n```\n\nBy default binaries are installed in `/usr/local/bin`. Use `--install-dir` to\nchange the destination and `--obitools-prefix` to add a prefix to command names:\n\n```bash\ncurl -L https://raw.githubusercontent.com/metabarcoding/obitools4/master/install_obitools.sh | \\\n bash -s -- --version '"$$version"' --install-dir ~/local --obitools-prefix k\n```\n'; \
git push origin "$$tag_name" 2>/dev/null || echo "Tag already pushed" release_message="$$release_title"$$'\n\n'"$$release_body$$install_section"; \
@echo "$(GREEN) Commits and tag pushed to repository$(NC)" echo "$(BLUE) Creating tag $$tag_name...$(NC)"; \
commit_hash=$$(jj log -r @ --no-graph -T 'commit_id' 2>/dev/null); \
git tag -a "$$tag_name" $${commit_hash:+"$$commit_hash"} -m "$$release_message" 2>/dev/null || echo "$(YELLOW)⚠ Tag $$tag_name already exists$(NC)"; \
echo "$(BLUE)→ Pushing tag $$tag_name...$(NC)"; \
git push origin "$$tag_name" 2>/dev/null || echo "$(YELLOW)⚠ Tag push failed or already pushed$(NC)"; \
rm -f /tmp/obitools4-release-title.txt /tmp/obitools4-release-body.txt
jjfetch: jjfetch:
@echo "$(YELLOW)→ Pulling latest commits...$(NC)" @echo "$(YELLOW)→ Pulling latest commits...$(NC)"
@@ -150,5 +241,5 @@ jjfetch:
@jj new master@origin @jj new master@origin
@echo "$(GREEN)✓ Latest commits pulled$(NC)" @echo "$(GREEN)✓ Latest commits pulled$(NC)"
.PHONY: all obitools update-deps obitests githubtests jjnew jjpush jjfetch bump-version .FORCE .PHONY: all obitools update-deps obitests githubtests help jjnew jjpush jjpush-describe jjpush-bump jjpush-notes jjpush-push jjpush-tag jjfetch bump-version .FORCE
.FORCE: .FORCE:

View File

@@ -16,28 +16,54 @@ The easiest way to run it is to copy and paste the following command into your t
curl -L https://raw.githubusercontent.com/metabarcoding/obitools4/master/install_obitools.sh | bash curl -L https://raw.githubusercontent.com/metabarcoding/obitools4/master/install_obitools.sh | bash
``` ```
By default, the script installs the *OBITools* commands and other associated files into the `/usr/local` directory. By default, the script installs the latest version of *OBITools* commands and other associated files into the `/usr/local` directory.
The names of the commands in the new *OBITools4* are mostly identical to those in *OBITools2*.
Therefore, installing the new *OBITools* may hide or delete the old ones. If you want both versions to be
available on your system, the installation script offers two options:
### Installation Options
The installation script offers several options:
> -l, --list List all available versions and exit.
>
> -v, --version Install a specific version (e.g., `-v 4.4.3`).
> By default, the latest version is installed.
>
> -i, --install-dir Directory where obitools are installed > -i, --install-dir Directory where obitools are installed
> (as example use `/usr/local` not `/usr/local/bin`). > (as example use `/usr/local` not `/usr/local/bin`).
> >
> -p, --obitools-prefix Prefix added to the obitools command names if you > -p, --obitools-prefix Prefix added to the obitools command names if you
> want to have several versions of obitools at the > want to have several versions of obitools at the
> same time on your system (as example `-p g` will produce > same time on your system (as example `-p g` will produce
> `gobigrep` command instead of `obigrep`). > `gobigrep` command instead of `obigrep`).
>
> -j, --jobs Number of parallel jobs used for compilation
> (default: 1). Increase this value to speed up
> compilation on multi-core systems (e.g., `-j 4`).
You can use these options by following the installation command: ### Examples
List all available versions:
```{bash}
curl -L https://raw.githubusercontent.com/metabarcoding/obitools4/master/install_obitools.sh | bash -s -- --list
```
Install a specific version:
```{bash}
curl -L https://raw.githubusercontent.com/metabarcoding/obitools4/master/install_obitools.sh | bash -s -- --version 4.4.3
```
Install in a custom directory with command prefix:
```{bash} ```{bash}
curl -L https://raw.githubusercontent.com/metabarcoding/obitools4/master/install_obitools.sh | \ curl -L https://raw.githubusercontent.com/metabarcoding/obitools4/master/install_obitools.sh | \
bash -s -- --install-dir test_install --obitools-prefix k bash -s -- --install-dir test_install --obitools-prefix k
``` ```
In this case, the binaries will be installed in the `test_install` directory and all command names will be prefixed with the letter `k`. Thus, `obigrep` will be named `kobigrep`. In this last example, the binaries will be installed in the `test_install` directory and all command names will be prefixed with the letter `k`. Thus, `obigrep` will be named `kobigrep`.
### Note on Version Compatibility
The names of the commands in the new *OBITools4* are mostly identical to those in *OBITools2*.
Therefore, installing the new *OBITools* may hide or delete the old ones. If you want both versions to be
available on your system, use the `--install-dir` and `--obitools-prefix` options as shown above.
## Continuing the analysis... ## Continuing the analysis...

View File

@@ -0,0 +1,508 @@
# Plan de refonte du package obikmer : index disk-based par partitions minimizer
## Constat
Les roaring64 bitmaps ne sont pas adaptés au stockage de 10^10 k-mers
(k=31) dispersés sur un espace de 2^62. L'overhead structurel (containers
roaring par high key 32 bits) dépasse la taille des données elles-mêmes,
et les opérations `Or()` entre bitmaps fragmentés ne terminent pas en
temps raisonnable.
## Principe de la nouvelle architecture
Un `KmerSet` est un ensemble trié de k-mers canoniques (uint64) stocké
sur disque, partitionné par minimizer. Chaque partition est un fichier
binaire contenant des uint64 triés, compressés par delta-varint.
Un `KmerSetGroup` est un répertoire contenant N ensembles partitionnés
de la même façon (même k, même m, même P).
Un `KmerSet` est un `KmerSetGroup` de taille 1 (singleton).
Les opérations ensemblistes se font partition par partition, en merge
streaming, sans charger l'index complet en mémoire.
## Cycle de vie d'un index
L'index a deux phases distinctes :
1. **Phase de construction (mutable)** : on ouvre un index, on y ajoute
des séquences. Pour chaque séquence, les super-kmers sont extraits
et écrits de manière compacte (2 bits/base) dans le fichier
temporaire de partition correspondant (`minimizer % P`). Les
super-kmers sont une représentation compressée naturelle des k-mers
chevauchants : un super-kmer de longueur L encode L-k+1 k-mers en
ne stockant que ~L/4 bytes au lieu de (L-k+1) × 8 bytes.
2. **Phase de clôture (optimisation)** : on ferme l'index, ce qui
déclenche le traitement **partition par partition** (indépendant,
parallélisable) :
- Charger les super-kmers de la partition
- En extraire tous les k-mers canoniques
- Trier le tableau de k-mers
- Dédupliquer (et compter si FrequencyFilter)
- Delta-encoder et écrire le fichier .kdi final
Après clôture, l'index est statique et immuable.
3. **Phase de lecture (immutable)** : opérations ensemblistes,
Jaccard, Quorum, Contains, itération. Toutes en streaming.
---
## Format sur disque
### Index finalisé
```
index_dir/
metadata.toml
set_0/
part_0000.kdi
part_0001.kdi
...
part_{P-1}.kdi
set_1/
part_0000.kdi
...
...
set_{N-1}/
...
```
### Fichiers temporaires pendant la construction
```
index_dir/
.build/
set_0/
part_0000.skm # super-kmers encodés 2 bits/base
part_0001.skm
...
set_1/
...
```
Le répertoire `.build/` est supprimé après Close().
### metadata.toml
```toml
id = "mon_index"
k = 31
m = 13
partitions = 1024
type = "KmerSetGroup" # ou "KmerSet" (N=1)
size = 3 # nombre de sets (N)
sets_ids = ["genome_A", "genome_B", "genome_C"]
[user_metadata]
organism = "Triticum aestivum"
[sets_metadata]
# métadonnées individuelles par set si nécessaire
```
### Fichier .kdi (Kmer Delta Index)
Format binaire :
```
[magic: 4 bytes "KDI\x01"]
[count: uint64 little-endian] # nombre de k-mers dans cette partition
[first: uint64 little-endian] # premier k-mer (valeur absolue)
[delta_1: varint] # arr[1] - arr[0]
[delta_2: varint] # arr[2] - arr[1]
...
[delta_{count-1}: varint] # arr[count-1] - arr[count-2]
```
Varint : encoding unsigned, 7 bits utiles par byte, bit de poids fort
= continuation (identique au varint protobuf).
Fichier vide (partition sans k-mer) : magic + count=0.
### Fichier .skm (Super-Kmer temporaire)
Format binaire, séquence de super-kmers encodés :
```
[len: uint16 little-endian] # longueur du super-kmer en bases
[sequence: ceil(len/4) bytes] # séquence encodée 2 bits/base, packed
...
```
**Compression par rapport au stockage de k-mers bruts** :
Un super-kmer de longueur L contient L-k+1 k-mers.
- Stockage super-kmer : 2 + ceil(L/4) bytes
- Stockage k-mers bruts : (L-k+1) × 8 bytes
Exemple avec k=31, super-kmer typique L=50 :
- Super-kmer : 2 + 13 = 15 bytes → encode 20 k-mers
- K-mers bruts : 20 × 8 = 160 bytes
- **Facteur de compression : ~10×**
Pour un génome de 10 Gbases (~10^10 k-mers bruts) :
- K-mers bruts : ~80 Go par set temporaire
- Super-kmers : **~8 Go** par set temporaire
Avec FrequencyFilter et couverture 30× :
- K-mers bruts : ~2.4 To
- Super-kmers : **~240 Go**
---
## FrequencyFilter
Le FrequencyFilter n'est plus un type de données séparé. C'est un
**mode de construction** du builder. Le résultat est un KmerSetGroup
standard.
### Principe
Pendant la construction, tous les super-kmers sont écrits dans les
fichiers temporaires .skm, y compris les doublons (chaque occurrence
de chaque séquence est écrite).
Pendant Close(), pour chaque partition :
1. Charger tous les super-kmers de la partition
2. Extraire tous les k-mers canoniques dans un tableau []uint64
3. Trier le tableau
4. Parcourir linéairement : les k-mers identiques sont consécutifs
5. Compter les occurrences de chaque k-mer
6. Si count >= minFreq → écrire dans le .kdi final (une seule fois)
7. Sinon → ignorer
### Dimensionnement
Pour un génome de 10 Gbases avec couverture 30× :
- N_brut ≈ 3×10^11 k-mers bruts
- Espace temporaire .skm ≈ 240 Go (compressé super-kmer)
- RAM par partition pendant Close() :
Avec P=1024 : ~3×10^8 k-mers/partition × 8 = **~2.4 Go**
Avec P=4096 : ~7.3×10^7 k-mers/partition × 8 = **~600 Mo**
Le choix de P détermine le compromis nombre de fichiers vs RAM par
partition.
### Sans FrequencyFilter (déduplication simple)
Pour de la déduplication simple (chaque k-mer écrit une fois), le
builder peut dédupliquer au niveau des buffers en RAM avant flush.
Cela réduit significativement l'espace temporaire car les doublons
au sein d'un même buffer (provenant de séquences proches) sont
éliminés immédiatement.
---
## API publique visée
### Structures
```go
// KmerSetGroup est l'entité de base.
// Un KmerSet est un KmerSetGroup avec Size() == 1.
type KmerSetGroup struct {
// champs internes : path, k, m, P, N, metadata, état
}
// KmerSetGroupBuilder construit un KmerSetGroup mutable.
type KmerSetGroupBuilder struct {
// champs internes : buffers I/O par partition et par set,
// fichiers temporaires .skm, paramètres (minFreq, etc.)
}
```
### Construction
```go
// NewKmerSetGroupBuilder crée un builder pour un nouveau KmerSetGroup.
// directory : répertoire de destination
// k : taille des k-mers (1-31)
// m : taille des minimizers (-1 pour auto = ceil(k/2.5))
// n : nombre de sets dans le groupe
// P : nombre de partitions (-1 pour auto)
// options : options de construction (FrequencyFilter, etc.)
func NewKmerSetGroupBuilder(directory string, k, m, n, P int,
options ...BuilderOption) (*KmerSetGroupBuilder, error)
// WithMinFrequency active le mode FrequencyFilter.
// Seuls les k-mers vus >= minFreq fois sont conservés dans l'index
// final. Les super-kmers sont écrits avec leurs doublons pendant
// la construction ; le comptage exact se fait au Close().
func WithMinFrequency(minFreq int) BuilderOption
// AddSequence extrait les super-kmers d'une séquence et les écrit
// dans les fichiers temporaires de partition du set i.
func (b *KmerSetGroupBuilder) AddSequence(setIndex int, seq *obiseq.BioSequence)
// AddSuperKmer écrit un super-kmer dans le fichier temporaire de
// sa partition pour le set i.
func (b *KmerSetGroupBuilder) AddSuperKmer(setIndex int, sk SuperKmer)
// Close finalise la construction :
// - flush des buffers d'écriture
// - pour chaque partition de chaque set (parallélisable) :
// - charger les super-kmers depuis le .skm
// - extraire les k-mers canoniques
// - trier, dédupliquer (compter si freq filter)
// - delta-encoder et écrire le .kdi
// - écrire metadata.toml
// - supprimer le répertoire .build/
// Retourne le KmerSetGroup en lecture seule.
func (b *KmerSetGroupBuilder) Close() (*KmerSetGroup, error)
```
### Lecture et opérations
```go
// OpenKmerSetGroup ouvre un index finalisé en lecture seule.
func OpenKmerSetGroup(directory string) (*KmerSetGroup, error)
// --- Métadonnées (API inchangée) ---
func (ksg *KmerSetGroup) K() int
func (ksg *KmerSetGroup) M() int // nouveau : taille du minimizer
func (ksg *KmerSetGroup) Partitions() int // nouveau : nombre de partitions
func (ksg *KmerSetGroup) Size() int
func (ksg *KmerSetGroup) Id() string
func (ksg *KmerSetGroup) SetId(id string)
func (ksg *KmerSetGroup) HasAttribute(key string) bool
func (ksg *KmerSetGroup) GetAttribute(key string) (interface{}, bool)
func (ksg *KmerSetGroup) SetAttribute(key string, value interface{})
// ... etc (toute l'API attributs actuelle est conservée)
// --- Opérations ensemblistes ---
// Toutes produisent un nouveau KmerSetGroup singleton sur disque.
// Opèrent partition par partition en streaming.
func (ksg *KmerSetGroup) Union(outputDir string) (*KmerSetGroup, error)
func (ksg *KmerSetGroup) Intersect(outputDir string) (*KmerSetGroup, error)
func (ksg *KmerSetGroup) Difference(outputDir string) (*KmerSetGroup, error)
func (ksg *KmerSetGroup) QuorumAtLeast(q int, outputDir string) (*KmerSetGroup, error)
func (ksg *KmerSetGroup) QuorumExactly(q int, outputDir string) (*KmerSetGroup, error)
func (ksg *KmerSetGroup) QuorumAtMost(q int, outputDir string) (*KmerSetGroup, error)
// --- Opérations entre deux KmerSetGroups ---
// Les deux groupes doivent avoir les mêmes k, m, P.
func (ksg *KmerSetGroup) UnionWith(other *KmerSetGroup, outputDir string) (*KmerSetGroup, error)
func (ksg *KmerSetGroup) IntersectWith(other *KmerSetGroup, outputDir string) (*KmerSetGroup, error)
// --- Métriques (résultat en mémoire, pas de sortie disque) ---
func (ksg *KmerSetGroup) JaccardDistanceMatrix() *obidist.DistMatrix
func (ksg *KmerSetGroup) JaccardSimilarityMatrix() *obidist.DistMatrix
// --- Accès individuel ---
func (ksg *KmerSetGroup) Len(setIndex ...int) uint64
func (ksg *KmerSetGroup) Contains(setIndex int, kmer uint64) bool
func (ksg *KmerSetGroup) Iterator(setIndex int) iter.Seq[uint64]
```
---
## Implémentation interne
### Primitives bas niveau
**`varint.go`** : encode/decode varint uint64
```go
func EncodeVarint(w io.Writer, v uint64) (int, error)
func DecodeVarint(r io.Reader) (uint64, error)
```
### Format .kdi
**`kdi_writer.go`** : écriture d'un fichier .kdi à partir d'un flux
trié de uint64 (delta-encode au vol).
```go
type KdiWriter struct { ... }
func NewKdiWriter(path string) (*KdiWriter, error)
func (w *KdiWriter) Write(kmer uint64) error
func (w *KdiWriter) Close() error
```
**`kdi_reader.go`** : lecture streaming d'un fichier .kdi (décode
les deltas au vol).
```go
type KdiReader struct { ... }
func NewKdiReader(path string) (*KdiReader, error)
func (r *KdiReader) Next() (uint64, bool)
func (r *KdiReader) Count() uint64
func (r *KdiReader) Close() error
```
### Format .skm
**`skm_writer.go`** : écriture de super-kmers encodés 2 bits/base.
```go
type SkmWriter struct { ... }
func NewSkmWriter(path string) (*SkmWriter, error)
func (w *SkmWriter) Write(sk SuperKmer) error
func (w *SkmWriter) Close() error
```
**`skm_reader.go`** : lecture de super-kmers depuis un fichier .skm.
```go
type SkmReader struct { ... }
func NewSkmReader(path string) (*SkmReader, error)
func (r *SkmReader) Next() (SuperKmer, bool)
func (r *SkmReader) Close() error
```
### Merge streaming
**`kdi_merge.go`** : k-way merge de plusieurs flux triés.
```go
type KWayMerge struct { ... }
func NewKWayMerge(readers []*KdiReader) *KWayMerge
func (m *KWayMerge) Next() (kmer uint64, count int, ok bool)
func (m *KWayMerge) Close() error
```
### Builder
**`kmer_set_builder.go`** : construction d'un KmerSetGroup.
Le builder gère :
- P × N écrivains .skm bufferisés (un par partition × set)
- À la clôture : traitement partition par partition
(parallélisable sur plusieurs cores)
Gestion mémoire des buffers d'écriture :
- Chaque SkmWriter a un buffer I/O de taille raisonnable (~64 Ko)
- Avec P=1024 et N=1 : 1024 × 64 Ko = 64 Mo de buffers
- Avec P=1024 et N=10 : 640 Mo de buffers
- Pas de buffer de k-mers en RAM : tout est écrit sur disque
immédiatement via les super-kmers
RAM pendant Close() (tri d'une partition) :
- Charger les super-kmers → extraire les k-mers → tableau []uint64
- Avec P=1024 et 10^10 k-mers/set : ~10^7 k-mers/partition × 8 = ~80 Mo
- Avec FrequencyFilter (doublons) et couverture 30× :
~3×10^8/partition × 8 = ~2.4 Go (ajustable via P)
### Structure disk-based
**`kmer_set_disk.go`** : KmerSetGroup en lecture seule.
**`kmer_set_disk_ops.go`** : opérations ensemblistes par merge
streaming partition par partition.
---
## Ce qui change par rapport à l'API actuelle
### Changements de sémantique
| Aspect | Ancien (roaring) | Nouveau (disk-based) |
|---|---|---|
| Stockage | En mémoire (roaring64.Bitmap) | Sur disque (.kdi delta-encoded) |
| Temporaire construction | En mémoire | Super-kmers sur disque (.skm 2 bits/base) |
| Mutabilité | Mutable à tout moment | Builder → Close() → immutable |
| Opérations ensemblistes | Résultat en mémoire | Résultat sur disque (nouveau répertoire) |
| Contains | O(1) roaring lookup | O(log n) recherche binaire sur .kdi |
| Itération | Roaring iterator | Streaming décodage delta-varint |
### API conservée (signatures identiques ou quasi-identiques)
- `KmerSetGroup` : `K()`, `Size()`, `Id()`, `SetId()`
- Toute l'API attributs
- `JaccardDistanceMatrix()`, `JaccardSimilarityMatrix()`
- `Len()`, `Contains()`
### API modifiée
- `Union()`, `Intersect()`, etc. : ajout du paramètre `outputDir`
- `QuorumAtLeast()`, etc. : idem
- Construction : `NewKmerSetGroupBuilder()` + `AddSequence()` + `Close()`
au lieu de manipulation directe
### API supprimée
- `KmerSet` comme type distinct (remplacé par KmerSetGroup singleton)
- `FrequencyFilter` comme type distinct (mode du Builder)
- Tout accès direct à `roaring64.Bitmap`
- `KmerSet.Copy()` (copie de répertoire à la place)
- `KmerSet.Union()`, `.Intersect()`, `.Difference()` (deviennent méthodes
de KmerSetGroup avec outputDir)
---
## Fichiers à créer / modifier dans pkg/obikmer
### Nouveaux fichiers
| Fichier | Contenu |
|---|---|
| `varint.go` | Encode/Decode varint uint64 |
| `kdi_writer.go` | Écrivain de fichiers .kdi (delta-encoded) |
| `kdi_reader.go` | Lecteur streaming de fichiers .kdi |
| `skm_writer.go` | Écrivain de super-kmers encodés 2 bits/base |
| `skm_reader.go` | Lecteur de super-kmers depuis .skm |
| `kdi_merge.go` | K-way merge streaming de flux triés |
| `kmer_set_builder.go` | KmerSetGroupBuilder (construction) |
| `kmer_set_disk.go` | KmerSetGroup disk-based (lecture, métadonnées) |
| `kmer_set_disk_ops.go` | Opérations ensemblistes streaming |
### Fichiers à supprimer
| Fichier | Raison |
|---|---|
| `kmer_set.go` | Remplacé par kmer_set_disk.go |
| `kmer_set_group.go` | Idem |
| `kmer_set_attributes.go` | Intégré dans kmer_set_disk.go |
| `kmer_set_persistence.go` | L'index est nativement sur disque |
| `kmer_set_group_quorum.go` | Intégré dans kmer_set_disk_ops.go |
| `frequency_filter.go` | Mode du Builder, plus de type séparé |
| `kmer_index_builder.go` | Remplacé par kmer_set_builder.go |
### Fichiers conservés tels quels
| Fichier | Contenu |
|---|---|
| `encodekmer.go` | Encodage/décodage k-mers |
| `superkmer.go` | Structure SuperKmer |
| `superkmer_iter.go` | IterSuperKmers, IterCanonicalKmers |
| `encodefourmer.go` | Encode4mer |
| `counting.go` | Count4Mer |
| `kmermap.go` | KmerMap (usage indépendant) |
| `debruijn.go` | Graphe de de Bruijn |
---
## Ordre d'implémentation
1. `varint.go` + tests
2. `skm_writer.go` + `skm_reader.go` + tests
3. `kdi_writer.go` + `kdi_reader.go` + tests
4. `kdi_merge.go` + tests
5. `kmer_set_builder.go` + tests (construction + Close)
6. `kmer_set_disk.go` (structure, métadonnées, Open)
7. `kmer_set_disk_ops.go` + tests (Union, Intersect, Quorum, Jaccard)
8. Adaptation de `pkg/obitools/obikindex/`
9. Suppression des anciens fichiers roaring
10. Adaptation des tests existants
Chaque étape est testable indépendamment.
---
## Dépendances externes
### Supprimées
- `github.com/RoaringBitmap/roaring` : plus nécessaire pour les
index k-mers (vérifier si d'autres packages l'utilisent encore)
### Ajoutées
- Aucune. Varint, delta-encoding, merge, encodage 2 bits/base :
tout est implémentable en Go standard.

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@@ -0,0 +1,264 @@
# Optimisation du parsing des grandes séquences
## Contexte
OBITools4 doit pouvoir traiter des séquences de taille chromosomique (plusieurs Gbp), notamment
issues de fichiers GenBank/EMBL (assemblages de génomes) ou de fichiers FASTA convertis depuis
ces formats.
## Architecture actuelle
### Pipeline de lecture (`pkg/obiformats/`)
```
ReadFileChunk (goroutine)
→ ChannelFileChunk
→ N × _ParseGenbankFile / _ParseFastaFile (goroutines)
→ IBioSequence
```
`ReadFileChunk` (`file_chunk_read.go`) lit le fichier par morceaux via une chaîne de
`PieceOfChunk` (rope). Chaque nœud fait `fileChunkSize` bytes :
- GenBank/EMBL : 128 MB (`1024*1024*128`)
- FASTA/FASTQ : 1 MB (`1024*1024`)
La chaîne est accumulée jusqu'à trouver la fin du dernier enregistrement complet (splitter),
puis `Pack()` est appelé pour fusionner tous les nœuds en un seul buffer contigu. Ce buffer
est transmis au parseur via `FileChunk.Raw *bytes.Buffer`.
### Parseur GenBank (`genbank_read.go`)
`GenbankChunkParser` reçoit un `io.Reader` sur le buffer packé, lit ligne par ligne via
`bufio.NewReader` (buffer 4096 bytes), et pour chaque ligne de la section `ORIGIN` :
```go
line = string(bline) // allocation par ligne
cleanline := strings.TrimSpace(line) // allocation
parts := strings.SplitN(cleanline, " ", 7) // allocation []string + substrings
for i := 1; i < lparts; i++ {
seqBytes.WriteString(parts[i])
}
```
Point positif : `seqBytes` est pré-alloué grâce à `lseq` extrait de la ligne `LOCUS`.
### Parseur FASTA (`fastaseq_read.go`)
`FastaChunkParser` lit **octet par octet** via `scanner.ReadByte()`. Pour 3 Gbp :
3 milliards d'appels. `seqBytes` est un `bytes.Buffer{}` sans pré-allocation.
## Problème principal
Pour une séquence de plusieurs Gbp, `Pack()` fusionne une chaîne de ~N nœuds de 128 MB en
un seul buffer contigu. C'est une allocation de N × 128 MB suivie d'une copie de toutes les
données. Bien que l'implémentation de `Pack()` soit efficace (libère les nœuds au fur et à
mesure via `slices.Grow`), la copie est inévitable avec l'architecture actuelle.
De plus, le parseur GenBank produit des dizaines de millions d'allocations temporaires pour
parser la section `ORIGIN` (une par ligne).
## Invariant clé découvert
**Si la rope a plus d'un nœud, le premier nœud seul ne se termine pas sur une frontière
d'enregistrement** (pas de `//\n` en fin de `piece1`).
Preuve par construction dans `ReadFileChunk` :
- `splitter` est appelé dès le premier nœud (ligne 157)
- Si `end >= 0` → frontière trouvée dans 128 MB → boucle interne sautée → rope à 1 nœud
- Si `end < 0` → boucle interne ajoute des nœuds → rope à ≥ 2 nœuds
Corollaire : si rope à 1 nœud, `Pack()` ne fait rien (aucun nœud suivant).
**Attention** : rope à ≥ 2 nœuds ne signifie pas qu'il n'y a qu'une seule séquence dans
la rope. La rope packée peut contenir plusieurs enregistrements complets. Exemple : records
de 80 MB → `nextpieces` (48 MB de reste) + nouveau nœud (128 MB) = rope à 2 nœuds
contenant 2 records complets + début d'un troisième.
L'invariant dit seulement que `piece1` seul est incomplet — pas que la rope entière
ne contient qu'un seul record.
**Invariant : le dernier FileChunk envoyé finit sur une frontière d'enregistrement.**
Deux chemins dans `ReadFileChunk` :
1. **Chemin normal** (`end >= 0` via `splitter`) : le buffer est explicitement tronqué à
`end` (ligne 200 : `pieces.data = pieces.data[:end]`). Frontière garantie par construction
pour tous les formats. ✓
2. **Chemin EOF** (`end < 0`, `end = pieces.Len()`) : tout le reste du fichier est envoyé.
- **GenBank/EMBL** : présuppose fichier bien formé (se termine par `//\n`). Le parseur
lève un `log.Fatalf` sur tout état inattendu — filet de sécurité suffisant. ✓
- **FASTQ** : présupposé, vérifié par le parseur. ✓
- **FASTA** : garanti par le format lui-même (fin d'enregistrement = EOF ou `>`). ✓
**Hypothèse de travail adoptée** : les fichiers d'entrée sont bien formés. Dans le pire cas,
le parseur lèvera une erreur explicite. Il n'y a pas de risque de corruption silencieuse.
## Piste d'optimisation : se dispenser de Pack()
### Idée centrale
Au lieu de fusionner la rope avant de la passer au parseur, **parser directement la rope
nœud par nœud**, et **écrire la séquence compactée in-place dans le premier nœud**.
Pourquoi c'est sûr :
- Le header (LOCUS, DEFINITION, SOURCE, FEATURES) est **petit** et traité en premier
- La séquence (ORIGIN) est **à la fin** du record
- Au moment d'écrire la séquence depuis l'offset 0 de `piece1`, le pointeur de lecture
est profond dans la rope (offset >> 0) → jamais de collision
- La séquence compactée est toujours plus courte que les données brutes
### Pré-allocation
Pour GenBank/EMBL : `lseq` est connu dès la ligne `LOCUS`/`ID` (première ligne, dans
`piece1`). On peut faire `slices.Grow(piece1.data, lseq)` dès ce moment.
Pour FASTA : pas de taille garantie dans le header, mais `rope.Len()` donne un majorant.
On peut utiliser `rope.Len() / 2` comme estimation initiale.
### Gestion des jonctions entre nœuds
Une ligne peut chevaucher deux nœuds (rare avec 128 MB, mais possible). Solution : carry
buffer de ~128 bytes pour les quelques bytes en fin de nœud.
### Cas FASTA/FASTQ multi-séquences
Un FileChunk peut contenir N séquences (notamment FASTA/FASTQ courts). Dans ce cas
l'écriture in-place dans `piece1` n'est pas applicable directement — on écrase des données
nécessaires aux séquences suivantes.
Stratégie par cas :
- **Rope à 1 nœud** (record ≤ 128 MB) : `Pack()` est trivial (no-op), parseur actuel OK
- **Rope à ≥ 2 nœuds** : par l'invariant, `piece1` ne contient pas de record complet →
une seule grande séquence → in-place applicable
### Format d'une ligne séquence GenBank (Après ORIGIN)
```
/^ *[0-9]+( [nuc]{10}){0,5} [nuc]{1,10}/
```
### Format d'une ligne séquence GenBank (Après SQ)
La ligne SQ contient aussi la taille de la séquence
```
/^ *( [nuc]{10}){0,5} [nuc]{1,10} *[0-9]+/
```
Compactage in-place sur `bline` ([]byte brut, sans conversion `string`) :
```go
w := 0
i := 0
for i < len(bline) && bline[i] == ' ' { i++ } // skip indentation
for i < len(bline) && bline[i] <= '9' { i++ } // skip position number
for ; i < len(bline); i++ {
if bline[i] != ' ' {
bline[w] = bline[i]
w++
}
}
// écrire bline[:w] directement dans piece1.data[seqOffset:]
```
## Changements nécessaires
1. **`FileChunk`** : exposer la rope `*PieceOfChunk` non-packée en plus (ou à la place)
de `Raw *bytes.Buffer`
2. **`GenbankChunkParser` / `EmblChunkParser`** : accepter `*PieceOfChunk`, parser la
rope séquentiellement avec carry buffer pour les jonctions
3. **`FastaChunkParser`** : idem, avec in-place conditionnel selon taille de la rope
4. **`ReadFileChunk`** : ne pas appeler `Pack()` avant envoi sur le channel (ou version
alternative `ReadFileChunkRope`)
## Fichiers concernés
- `pkg/obiformats/file_chunk_read.go` — structure rope, `ReadFileChunk`
- `pkg/obiformats/genbank_read.go``GenbankChunkParser`, `_ParseGenbankFile`
- `pkg/obiformats/embl_read.go``EmblChunkParser`, `ReadEMBL`
- `pkg/obiformats/fastaseq_read.go``FastaChunkParser`, `_ParseFastaFile`
- `pkg/obiformats/fastqseq_read.go` — parseur FASTQ (même structure)
## Plan d'implémentation : parseur GenBank sur rope
### Contexte
Baseline mesurée : `obiconvert gbpln640.seq.gz` → 49s real, 42s user, 29s sys, **57 GB RSS**.
Le sys élevé indique des allocations massives. Deux causes :
1. `Pack()` : fusionne toute la rope (N × 128 MB) en un buffer contigu avant de parser
2. Parser ORIGIN : `string(bline)` + `TrimSpace` + `SplitN` × millions de lignes
### 1. `gbRopeScanner`
Struct de lecture ligne par ligne sur la rope, sans allocation heap :
```go
type gbRopeScanner struct {
current *PieceOfChunk
pos int
carry [256]byte // stack-allocated, max GenBank line = 80 chars
carryN int
}
```
`ReadLine()` :
- Cherche `\n` dans `current.data[pos:]` via `bytes.IndexByte`
- Si trouvé sans carry : retourne slice direct du node (zéro alloc)
- Si trouvé avec carry : copie dans carry buffer, retourne `carry[:n]`
- Si non trouvé : copie le reste dans carry, avance au node suivant, recommence
- EOF : retourne `carry[:carryN]` puis nil
`extractSequence(dest []byte, UtoT bool) int` :
- Scan direct des bytes pour section ORIGIN, sans passer par ReadLine
- Machine d'états : lineStart → skip espaces/digits → copier nucléotides dans dest
- Stop sur `//` en début de ligne
- Zéro allocation, UtoT inline
### 2. `GenbankChunkParserRope`
```go
func GenbankChunkParserRope(source string, rope *PieceOfChunk,
withFeatureTable, UtoT bool) (obiseq.BioSequenceSlice, error)
```
- Même machine d'états que `GenbankChunkParser`, sur `[]byte` (`bytes.HasPrefix`)
- LOCUS : extrait `id` et `lseq` par scan direct (remplace `_seqlenght_rx`)
- FEATURES / default inFeature : taxid extrait par scan de `/db_xref="taxon:`
dans la source feature ; `featBytes` rempli seulement si `withFeatureTable=true`
- DEFINITION : toujours conservée
- ORIGIN : `dest = make([]byte, 0, lseq+20)` puis `s.extractSequence(dest, UtoT)`
### 3. Modifications `_ParseGenbankFile` et `ReadGenbank`
`_ParseGenbankFile` utilise `chunk.Rope` :
```go
sequences, err := GenbankChunkParserRope(chunk.Source, chunk.Rope, ...)
```
`ReadGenbank` passe `pack=false` :
```go
entry_channel := ReadFileChunk(..., false)
```
### 4. Ce qui NE change pas
- `GenbankChunkParser` reste (référence, tests)
- `ReadFileChunk`, `Pack()`, autres parseurs (EMBL, FASTA, FASTQ) : inchangés
### 5. Gains attendus
- **RSS** : pic ≈ 128 MB × workers (au lieu de N × 128 MB)
- **Temps sys** : élimination des mmap/munmap pour les gros buffers
- **Temps user** : ~50M allocations éliminées
### 6. Vérification
```bash
/usr/local/go/bin/go build ./...
diff <(obiconvert gbpln640.seq.gz) gbpln640.reference.fasta
cd bugs/genbank && ./benchmark.sh gbpln640.seq.gz
```
Cible : RSS < 1 GB, temps comparable ou meilleur.

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# Architecture d'une commande OBITools
## Vue d'ensemble
Une commande OBITools suit une architecture modulaire et standardisée qui sépare clairement les responsabilités entre :
- Le package de la commande dans `pkg/obitools/<nom_commande>/`
- L'exécutable dans `cmd/obitools/<nom_commande>/`
Cette architecture favorise la réutilisabilité du code, la testabilité et la cohérence entre les différentes commandes de la suite OBITools.
## Structure du projet
```
obitools4/
├── pkg/obitools/
│ ├── obiconvert/ # Commande de conversion (base pour toutes)
│ │ ├── obiconvert.go # Fonctions vides (pas d'implémentation)
│ │ ├── options.go # Définition des options CLI
│ │ ├── sequence_reader.go # Lecture des séquences
│ │ └── sequence_writer.go # Écriture des séquences
│ ├── obiuniq/ # Commande de déréplication
│ │ ├── obiuniq.go # (fichier vide)
│ │ ├── options.go # Options spécifiques à obiuniq
│ │ └── unique.go # Implémentation du traitement
│ ├── obipairing/ # Assemblage de lectures paired-end
│ ├── obisummary/ # Résumé de fichiers de séquences
│ └── obimicrosat/ # Détection de microsatellites
└── cmd/obitools/
├── obiconvert/
│ └── main.go # Point d'entrée de la commande
├── obiuniq/
│ └── main.go
├── obipairing/
│ └── main.go
├── obisummary/
│ └── main.go
└── obimicrosat/
└── main.go
```
## Composants de l'architecture
### 1. Package `pkg/obitools/<commande>/`
Chaque commande possède son propre package dans `pkg/obitools/` qui contient l'implémentation complète de la logique métier. Ce package est structuré en plusieurs fichiers :
#### a) `options.go` - Gestion des options CLI
Ce fichier définit :
- Les **variables globales** privées (préfixées par `_`) stockant les valeurs des options
- La fonction **`OptionSet()`** qui configure toutes les options pour la commande
- Les fonctions **`CLI*()`** qui retournent les valeurs des options (getters)
- Les fonctions **`Set*()`** qui permettent de définir les options programmatiquement (setters)
**Exemple (obiuniq/options.go) :**
```go
package obiuniq
import (
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/obiconvert"
"github.com/DavidGamba/go-getoptions"
)
// Variables globales privées pour stocker les options
var _StatsOn = make([]string, 0, 10)
var _Keys = make([]string, 0, 10)
var _InMemory = false
var _chunks = 100
// Configuration des options spécifiques à la commande
func UniqueOptionSet(options *getoptions.GetOpt) {
options.StringSliceVar(&_StatsOn, "merge", 1, 1,
options.Alias("m"),
options.ArgName("KEY"),
options.Description("Adds a merged attribute..."))
options.BoolVar(&_InMemory, "in-memory", _InMemory,
options.Description("Use memory instead of disk..."))
options.IntVar(&_chunks, "chunk-count", _chunks,
options.Description("In how many chunks..."))
}
// OptionSet combine les options de base + les options spécifiques
func OptionSet(options *getoptions.GetOpt) {
obiconvert.OptionSet(false)(options) // Options de base
UniqueOptionSet(options) // Options spécifiques
}
// Getters pour accéder aux valeurs des options
func CLIStatsOn() []string {
return _StatsOn
}
func CLIUniqueInMemory() bool {
return _InMemory
}
// Setters pour définir les options programmatiquement
func SetUniqueInMemory(inMemory bool) {
_InMemory = inMemory
}
```
**Convention de nommage :**
- Variables privées : `_NomOption` (underscore préfixe)
- Getters : `CLINomOption()` (préfixe CLI)
- Setters : `SetNomOption()` (préfixe Set)
#### b) Fichier(s) d'implémentation
Un ou plusieurs fichiers contenant la logique métier de la commande :
**Exemple (obiuniq/unique.go) :**
```go
package obiuniq
import (
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiiter"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obichunk"
)
// Fonction CLI principale qui orchestre le traitement
func CLIUnique(sequences obiiter.IBioSequence) obiiter.IBioSequence {
// Récupération des options via les getters CLI*()
options := make([]obichunk.WithOption, 0, 30)
options = append(options,
obichunk.OptionBatchCount(CLINumberOfChunks()),
)
if CLIUniqueInMemory() {
options = append(options, obichunk.OptionSortOnMemory())
} else {
options = append(options, obichunk.OptionSortOnDisk())
}
// Appel de la fonction de traitement réelle
iUnique, err := obichunk.IUniqueSequence(sequences, options...)
if err != nil {
log.Fatal(err)
}
return iUnique
}
```
**Autres exemples d'implémentation :**
- **obimicrosat/microsat.go** : Contient `MakeMicrosatWorker()` et `CLIAnnotateMicrosat()`
- **obisummary/obisummary.go** : Contient `ISummary()` et les structures de données
#### c) Fichiers utilitaires (optionnel)
Certaines commandes ont des fichiers additionnels pour des fonctionnalités spécifiques.
**Exemple (obipairing/options.go) :**
```go
// Fonction spéciale pour créer un itérateur de séquences pairées
func CLIPairedSequence() (obiiter.IBioSequence, error) {
forward, err := obiconvert.CLIReadBioSequences(_ForwardFile)
if err != nil {
return obiiter.NilIBioSequence, err
}
reverse, err := obiconvert.CLIReadBioSequences(_ReverseFile)
if err != nil {
return obiiter.NilIBioSequence, err
}
paired := forward.PairTo(reverse)
return paired, nil
}
```
### 2. Package `obiconvert` - La base commune
Le package `obiconvert` est spécial car il fournit les fonctionnalités de base utilisées par toutes les autres commandes :
#### Fonctionnalités fournies :
1. **Lecture de séquences** (`sequence_reader.go`)
- `CLIReadBioSequences()` : lecture depuis fichiers ou stdin
- Support de multiples formats (FASTA, FASTQ, EMBL, GenBank, etc.)
- Gestion des fichiers multiples
- Barre de progression optionnelle
2. **Écriture de séquences** (`sequence_writer.go`)
- `CLIWriteBioSequences()` : écriture vers fichiers ou stdout
- Support de multiples formats
- Gestion des lectures pairées
- Compression optionnelle
3. **Options communes** (`options.go`)
- Options d'entrée (format, skip, etc.)
- Options de sortie (format, fichier, compression)
- Options de mode (barre de progression, etc.)
#### Utilisation par les autres commandes :
Toutes les commandes incluent les options de `obiconvert` via :
```go
func OptionSet(options *getoptions.GetOpt) {
obiconvert.OptionSet(false)(options) // false = pas de fichiers pairés
MaCommandeOptionSet(options) // Options spécifiques
}
```
### 3. Exécutable `cmd/obitools/<commande>/main.go`
Le fichier `main.go` de chaque commande est volontairement **minimaliste** et suit toujours le même pattern :
```go
package main
import (
"os"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidefault"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obioptions"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/obiconvert"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/macommande"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiutils"
)
func main() {
// 1. Configuration optionnelle de paramètres par défaut
obidefault.SetBatchSize(10)
// 2. Génération du parser d'options
optionParser := obioptions.GenerateOptionParser(
"macommande", // Nom de la commande
"description de la commande", // Description
macommande.OptionSet) // Fonction de configuration des options
// 3. Parsing des arguments
_, args := optionParser(os.Args)
// 4. Lecture des séquences d'entrée
sequences, err := obiconvert.CLIReadBioSequences(args...)
obiconvert.OpenSequenceDataErrorMessage(args, err)
// 5. Traitement spécifique de la commande
resultat := macommande.CLITraitement(sequences)
// 6. Écriture des résultats
obiconvert.CLIWriteBioSequences(resultat, true)
// 7. Attente de la fin du pipeline
obiutils.WaitForLastPipe()
}
```
## Patterns architecturaux
### Pattern 1 : Pipeline de traitement de séquences
La plupart des commandes suivent ce pattern :
```
Lecture → Traitement → Écriture
```
**Exemples :**
- **obiconvert** : Lecture → Écriture (conversion de format)
- **obiuniq** : Lecture → Déréplication → Écriture
- **obimicrosat** : Lecture → Annotation → Filtrage → Écriture
### Pattern 2 : Traitement avec entrées multiples
Certaines commandes acceptent plusieurs fichiers d'entrée :
**obipairing** :
```
Lecture Forward + Lecture Reverse → Pairing → Assemblage → Écriture
```
### Pattern 3 : Traitement sans écriture de séquences
**obisummary** : produit un résumé JSON/YAML au lieu de séquences
```go
func main() {
// ... parsing options et lecture ...
summary := obisummary.ISummary(fs, obisummary.CLIMapSummary())
// Formatage et affichage direct
if obisummary.CLIOutFormat() == "json" {
output, _ := json.MarshalIndent(summary, "", " ")
fmt.Print(string(output))
} else {
output, _ := yaml.Marshal(summary)
fmt.Print(string(output))
}
}
```
### Pattern 4 : Utilisation de Workers
Les commandes qui transforment des séquences utilisent souvent le pattern Worker :
```go
// Création d'un worker
worker := MakeMicrosatWorker(
CLIMinUnitLength(),
CLIMaxUnitLength(),
// ... autres paramètres
)
// Application du worker sur l'itérateur
newIter = iterator.MakeIWorker(
worker,
false, // merge results
obidefault.ParallelWorkers() // parallélisation
)
```
## Étapes d'implémentation d'une nouvelle commande
### Étape 1 : Créer le package dans `pkg/obitools/`
```bash
mkdir -p pkg/obitools/macommande
```
### Étape 2 : Créer `options.go`
```go
package macommande
import (
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/obiconvert"
"github.com/DavidGamba/go-getoptions"
)
// Variables privées pour les options
var _MonOption = "valeur_par_defaut"
// Configuration des options spécifiques
func MaCommandeOptionSet(options *getoptions.GetOpt) {
options.StringVar(&_MonOption, "mon-option", _MonOption,
options.Alias("o"),
options.Description("Description de l'option"))
}
// OptionSet combine options de base + spécifiques
func OptionSet(options *getoptions.GetOpt) {
obiconvert.OptionSet(false)(options) // false si pas de fichiers pairés
MaCommandeOptionSet(options)
}
// Getters
func CLIMonOption() string {
return _MonOption
}
// Setters
func SetMonOption(value string) {
_MonOption = value
}
```
### Étape 3 : Créer le fichier d'implémentation
Créer `macommande.go` (ou un nom plus descriptif) :
```go
package macommande
import (
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiiter"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
)
// Fonction de traitement principale
func CLIMaCommande(sequences obiiter.IBioSequence) obiiter.IBioSequence {
// Récupération des options
option := CLIMonOption()
// Implémentation du traitement
// ...
return resultat
}
```
### Étape 4 : Créer l'exécutable dans `cmd/obitools/`
```bash
mkdir -p cmd/obitools/macommande
```
Créer `main.go` :
```go
package main
import (
"os"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obioptions"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/obiconvert"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/macommande"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiutils"
)
func main() {
// Parser d'options
optionParser := obioptions.GenerateOptionParser(
"macommande",
"Description courte de ma commande",
macommande.OptionSet)
_, args := optionParser(os.Args)
// Lecture
sequences, err := obiconvert.CLIReadBioSequences(args...)
obiconvert.OpenSequenceDataErrorMessage(args, err)
// Traitement
resultat := macommande.CLIMaCommande(sequences)
// Écriture
obiconvert.CLIWriteBioSequences(resultat, true)
// Attente
obiutils.WaitForLastPipe()
}
```
### Étape 5 : Configurations optionnelles
Dans `main.go`, avant le parsing des options, on peut configurer :
```go
// Taille des batchs de séquences
obidefault.SetBatchSize(10)
// Nombre de workers en lecture (strict)
obidefault.SetStrictReadWorker(2)
// Nombre de workers en écriture
obidefault.SetStrictWriteWorker(2)
// Désactiver la lecture des qualités
obidefault.SetReadQualities(false)
```
### Étape 6 : Gestion des erreurs
Utiliser les fonctions utilitaires pour les messages d'erreur cohérents :
```go
// Pour les erreurs d'ouverture de fichiers
obiconvert.OpenSequenceDataErrorMessage(args, err)
// Pour les erreurs générales
if err != nil {
log.Errorf("Message d'erreur: %v", err)
os.Exit(1)
}
```
### Étape 7 : Tests et debugging (optionnel)
Des commentaires dans le code montrent comment activer le profiling :
```go
// go tool pprof -http=":8000" ./macommande ./cpu.pprof
// f, err := os.Create("cpu.pprof")
// if err != nil {
// log.Fatal(err)
// }
// pprof.StartCPUProfile(f)
// defer pprof.StopCPUProfile()
// go tool trace cpu.trace
// ftrace, err := os.Create("cpu.trace")
// if err != nil {
// log.Fatal(err)
// }
// trace.Start(ftrace)
// defer trace.Stop()
```
## Bonnes pratiques observées
### 1. Séparation des responsabilités
- **`main.go`** : orchestration minimale
- **`options.go`** : définition et gestion des options
- **Fichiers d'implémentation** : logique métier
### 2. Convention de nommage cohérente
- Variables d'options : `_NomOption`
- Getters CLI : `CLINomOption()`
- Setters : `SetNomOption()`
- Fonctions de traitement CLI : `CLITraitement()`
### 3. Réutilisation du code
- Toutes les commandes réutilisent `obiconvert` pour l'I/O
- Les options communes sont partagées
- Les fonctions utilitaires sont centralisées
### 4. Configuration par défaut
Les valeurs par défaut sont :
- Définies lors de l'initialisation des variables
- Modifiables via les options CLI
- Modifiables programmatiquement via les setters
### 5. Gestion des formats
Support automatique de multiples formats :
- FASTA / FASTQ (avec compression gzip)
- EMBL / GenBank
- ecoPCR
- CSV
- JSON (avec différents formats d'en-têtes)
### 6. Parallélisation
Les commandes utilisent les workers parallèles via :
- `obidefault.ParallelWorkers()`
- `obidefault.SetStrictReadWorker(n)`
- `obidefault.SetStrictWriteWorker(n)`
### 7. Logging cohérent
Utilisation de `logrus` pour tous les logs :
```go
log.Printf("Message informatif")
log.Errorf("Message d'erreur: %v", err)
log.Fatal(err) // Arrêt du programme
```
## Dépendances principales
### Packages internes OBITools
- `pkg/obidefault` : valeurs par défaut et configuration globale
- `pkg/obioptions` : génération du parser d'options
- `pkg/obiiter` : itérateurs de séquences biologiques
- `pkg/obiseq` : structures et fonctions pour séquences biologiques
- `pkg/obiformats` : lecture/écriture de différents formats
- `pkg/obiutils` : fonctions utilitaires diverses
- `pkg/obichunk` : traitement par chunks (pour dereplication, etc.)
### Packages externes
- `github.com/DavidGamba/go-getoptions` : parsing des options CLI
- `github.com/sirupsen/logrus` : logging structuré
- `gopkg.in/yaml.v3` : encodage/décodage YAML
- `github.com/dlclark/regexp2` : expressions régulières avancées
## Cas spéciaux
### Commande avec fichiers pairés (obipairing)
```go
func OptionSet(options *getoptions.GetOpt) {
obiconvert.OutputOptionSet(options)
obiconvert.InputOptionSet(options)
PairingOptionSet(options) // Options spécifiques au pairing
}
func CLIPairedSequence() (obiiter.IBioSequence, error) {
forward, err := obiconvert.CLIReadBioSequences(_ForwardFile)
// ...
reverse, err := obiconvert.CLIReadBioSequences(_ReverseFile)
// ...
paired := forward.PairTo(reverse)
return paired, nil
}
```
Dans `main.go` :
```go
pairs, err := obipairing.CLIPairedSequence() // Lecture spéciale
if err != nil {
log.Errorf("Cannot open file (%v)", err)
os.Exit(1)
}
paired := obipairing.IAssemblePESequencesBatch(
pairs,
obipairing.CLIGapPenality(),
// ... autres paramètres
)
```
### Commande sans sortie de séquences (obisummary)
Au lieu de `obiconvert.CLIWriteBioSequences()`, affichage direct :
```go
summary := obisummary.ISummary(fs, obisummary.CLIMapSummary())
if obisummary.CLIOutFormat() == "json" {
output, _ := json.MarshalIndent(summary, "", " ")
fmt.Print(string(output))
} else {
output, _ := yaml.Marshal(summary)
fmt.Print(string(output))
}
fmt.Printf("\n")
```
### Commande avec Workers personnalisés (obimicrosat)
```go
func CLIAnnotateMicrosat(iterator obiiter.IBioSequence) obiiter.IBioSequence {
// Création du worker
worker := MakeMicrosatWorker(
CLIMinUnitLength(),
CLIMaxUnitLength(),
CLIMinUnitCount(),
CLIMinLength(),
CLIMinFlankLength(),
CLIReoriented(),
)
// Application du worker
newIter := iterator.MakeIWorker(
worker,
false, // pas de merge
obidefault.ParallelWorkers(), // parallélisation
)
return newIter.FilterEmpty() // Filtrage des résultats vides
}
```
## Diagramme de flux d'exécution
```
┌─────────────────────────────────────────────────────────────┐
│ cmd/obitools/macommande/main.go │
└─────────────────────────────────────────────────────────────┘
┌─────────────────────────────────────────────────────────────┐
│ 1. Génération du parser d'options │
│ obioptions.GenerateOptionParser( │
│ "macommande", │
│ "description", │
│ macommande.OptionSet) │
└─────────────────────────────────────────────────────────────┘
┌─────────────────────────────────────────────────────────────┐
│ pkg/obitools/macommande/options.go │
│ ┌─────────────────────────────────────────────────────┐ │
│ │ func OptionSet(options *getoptions.GetOpt) │ │
│ │ obiconvert.OptionSet(false)(options) ───────────┐ │ │
│ │ MaCommandeOptionSet(options) │ │ │
│ └───────────────────────────────────────────────────┼─┘ │
└────────────────────────────────────────────────────────┼─────┘
│ │
│ │
┌─────────────┘ │
│ │
▼ ▼
┌─────────────────────────────────┐ ┌───────────────────────────────┐
│ 2. Parsing des arguments │ │ pkg/obitools/obiconvert/ │
│ _, args := optionParser(...) │ │ options.go │
└─────────────────────────────────┘ │ - InputOptionSet() │
│ │ - OutputOptionSet() │
▼ │ - PairedFilesOptionSet() │
┌─────────────────────────────────┐ └───────────────────────────────┘
│ 3. Lecture des séquences │
│ CLIReadBioSequences(args) │
└─────────────────────────────────┘
┌─────────────────────────────────────────────────────────────┐
│ pkg/obitools/obiconvert/sequence_reader.go │
│ - ExpandListOfFiles() │
│ - ReadSequencesFromFile() / ReadSequencesFromStdin() │
│ - Support: FASTA, FASTQ, EMBL, GenBank, ecoPCR, CSV │
└─────────────────────────────────────────────────────────────┘
▼ obiiter.IBioSequence
┌─────────────────────────────────────────────────────────────┐
│ 4. Traitement spécifique │
│ macommande.CLITraitement(sequences) │
└─────────────────────────────────────────────────────────────┘
┌─────────────────────────────────────────────────────────────┐
│ pkg/obitools/macommande/<implementation>.go │
│ - Récupération des options via CLI*() getters │
│ - Application de la logique métier │
│ - Retour d'un nouvel iterator │
└─────────────────────────────────────────────────────────────┘
▼ obiiter.IBioSequence
┌─────────────────────────────────────────────────────────────┐
│ 5. Écriture des résultats │
│ CLIWriteBioSequences(resultat, true) │
└─────────────────────────────────────────────────────────────┘
┌─────────────────────────────────────────────────────────────┐
│ pkg/obitools/obiconvert/sequence_writer.go │
│ - WriteSequencesToFile() / WriteSequencesToStdout() │
│ - Support: FASTA, FASTQ, JSON │
│ - Gestion des lectures pairées │
│ - Compression optionnelle │
└─────────────────────────────────────────────────────────────┘
┌─────────────────────────────────────────────────────────────┐
│ 6. Attente de fin du pipeline │
│ obiutils.WaitForLastPipe() │
└─────────────────────────────────────────────────────────────┘
```
## Conclusion
L'architecture des commandes OBITools est conçue pour :
1. **Maximiser la réutilisation** : `obiconvert` fournit les fonctionnalités communes
2. **Simplifier l'ajout de nouvelles commandes** : pattern standardisé et minimaliste
3. **Faciliter la maintenance** : séparation claire des responsabilités
4. **Garantir la cohérence** : conventions de nommage et structure uniforme
5. **Optimiser les performances** : parallélisation intégrée et traitement par batch
Cette architecture modulaire permet de créer rapidement de nouvelles commandes tout en maintenant une qualité et une cohérence élevées dans toute la suite OBITools.

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# Définition du super k-mer
## Définition
Un **super k-mer** est une **sous-séquence MAXIMALE** d'une séquence dans laquelle **tous les k-mers consécutifs partagent le même minimiseur**.
### Termes
- **k-mer** : sous-séquence de longueur k
- **minimiseur** : le plus petit m-mer canonique parmi tous les m-mers d'un k-mer
- **k-mers consécutifs** : k-mers aux positions i et i+1 (chevauchement de k-1 nucléotides)
- **MAXIMALE** : ne peut être étendue ni à gauche ni à droite
## RÈGLES ABSOLUES
### RÈGLE 1 : Longueur minimum = k
Un super k-mer contient au minimum k nucléotides.
```
longueur(super-kmer) >= k
```
### RÈGLE 2 : Chevauchement obligatoire = k-1
Deux super-kmers consécutifs se chevauchent d'EXACTEMENT k-1 nucléotides.
```
SK1.End - SK2.Start = k - 1
```
### RÈGLE 3 : Bijection séquence ↔ minimiseur
Une séquence de super k-mer a UN et UN SEUL minimiseur.
```
Même séquence → Même minimiseur (TOUJOURS)
```
**Si vous observez la même séquence avec deux minimiseurs différents, c'est un BUG.**
### RÈGLE 4 : Tous les k-mers partagent le minimiseur
TOUS les k-mers contenus dans un super k-mer ont le même minimiseur.
```
∀ k-mer K dans SK : minimiseur(K) = SK.minimizer
```
### RÈGLE 5 : Maximalité
Un super k-mer ne peut pas être étendu.
- Si on ajoute un nucléotide à gauche : le nouveau k-mer a un minimiseur différent
- Si on ajoute un nucléotide à droite : le nouveau k-mer a un minimiseur différent
## VIOLATIONS INTERDITES
**Super k-mer de longueur < k**
**Chevauchement ≠ k-1 entre consécutifs**
**Même séquence avec minimiseurs différents**
**K-mer dans le super k-mer avec minimiseur différent**
**Super k-mer extensible (non-maximal)**
## CONSÉQUENCES PRATIQUES
### Pour l'extraction
L'algorithme doit :
1. Calculer le minimiseur de chaque k-mer
2. Découper quand le minimiseur change
3. Assigner au super k-mer le minimiseur commun à tous ses k-mers
4. Garantir que chaque super k-mer contient au moins k nucléotides
5. Garantir le chevauchement de k-1 entre consécutifs
### Pour la validation
Si après déduplication (obiuniq) on observe :
```
Séquence: ACGT...
Minimiseurs: {M1, M2} // plusieurs minimiseurs
```
C'est la PREUVE d'un bug : l'algorithme a produit cette séquence avec des minimiseurs différents, ce qui viole la RÈGLE 3.
## DIAGNOSTIC DU BUG
**Bug observé** : Même séquence avec minimiseurs différents après obiuniq
**Cause possible** : L'algorithme assigne le mauvais minimiseur OU découpe mal les super-kmers
**Ce que le bug NE PEUT PAS être** :
- Un problème d'obiuniq (révèle le bug, ne le crée pas)
- Un problème de chevauchement légitime (k-1 est correct)
**Ce que le bug DOIT être** :
- Minimiseur mal calculé ou mal assigné
- Découpage incorrect (mauvais endPos)
- Copie incorrecte des données

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# Guide de rédaction d'un obitest
## Règles essentielles
1. **Données < 1 KB** - Fichiers de test très petits
2. **Exécution < 10 sec** - Tests rapides pour CI/CD
3. **Auto-contenu** - Pas de dépendances externes
4. **Auto-nettoyage** - Pas de fichiers résiduels
## Structure minimale
```
obitests/obitools/<commande>/
├── test.sh # Script exécutable
└── data.fasta # Données minimales (optionnel)
```
## Template de test.sh
```bash
#!/bin/bash
TEST_NAME=<commande>
CMD=<commande>
TEST_DIR="$(dirname "$(readlink -f "${BASH_SOURCE[0]}")")"
OBITOOLS_DIR="${TEST_DIR/obitest*/}build"
export PATH="${OBITOOLS_DIR}:${PATH}"
MCMD="$(echo "${CMD:0:4}" | tr '[:lower:]' '[:upper:]')$(echo "${CMD:4}" | tr '[:upper:]' '[:lower:]')"
TMPDIR="$(mktemp -d)"
ntest=0
success=0
failed=0
cleanup() {
echo "========================================" 1>&2
echo "## Results of the $TEST_NAME tests:" 1>&2
echo 1>&2
echo "- $ntest tests run" 1>&2
echo "- $success successfully completed" 1>&2
echo "- $failed failed tests" 1>&2
echo 1>&2
echo "Cleaning up the temporary directory..." 1>&2
echo 1>&2
echo "========================================" 1>&2
rm -rf "$TMPDIR"
if [ $failed -gt 0 ]; then
log "$TEST_NAME tests failed"
log
log
exit 1
fi
log
log
exit 0
}
log() {
echo -e "[$TEST_NAME @ $(date)] $*" 1>&2
}
log "Testing $TEST_NAME..."
log "Test directory is $TEST_DIR"
log "obitools directory is $OBITOOLS_DIR"
log "Temporary directory is $TMPDIR"
log "files: $(find $TEST_DIR | awk -F'/' '{print $NF}' | tail -n +2)"
########## TESTS ##########
# Test 1: Help (OBLIGATOIRE)
((ntest++))
if $CMD -h > "${TMPDIR}/help.txt" 2>&1
then
log "$MCMD: printing help OK"
((success++))
else
log "$MCMD: printing help failed"
((failed++))
fi
# Ajoutez vos tests ici...
###########################
cleanup
```
## Pattern de test
```bash
((ntest++))
if commande args > "${TMPDIR}/output.txt" 2>&1
then
log "$MCMD: description OK"
((success++))
else
log "$MCMD: description failed"
((failed++))
fi
```
## Tests courants
### Exécution basique
```bash
((ntest++))
if $CMD "${TEST_DIR}/input.fasta" > "${TMPDIR}/output.fasta" 2>&1
then
log "$MCMD: basic execution OK"
((success++))
else
log "$MCMD: basic execution failed"
((failed++))
fi
```
### Sortie non vide
```bash
((ntest++))
if [ -s "${TMPDIR}/output.fasta" ]
then
log "$MCMD: output not empty OK"
((success++))
else
log "$MCMD: output empty - failed"
((failed++))
fi
```
### Comptage
```bash
((ntest++))
count=$(grep -c "^>" "${TMPDIR}/output.fasta")
if [ "$count" -gt 0 ]
then
log "$MCMD: extracted $count sequences OK"
((success++))
else
log "$MCMD: no sequences - failed"
((failed++))
fi
```
### Présence de contenu
```bash
((ntest++))
if grep -q "expected_string" "${TMPDIR}/output.fasta"
then
log "$MCMD: expected content found OK"
((success++))
else
log "$MCMD: content not found - failed"
((failed++))
fi
```
### Comparaison avec référence
```bash
((ntest++))
if diff "${TEST_DIR}/expected.fasta" "${TMPDIR}/output.fasta" > /dev/null
then
log "$MCMD: matches reference OK"
((success++))
else
log "$MCMD: differs from reference - failed"
((failed++))
fi
```
### Test avec options
```bash
((ntest++))
if $CMD --opt value "${TEST_DIR}/input.fasta" > "${TMPDIR}/out.fasta" 2>&1
then
log "$MCMD: with option OK"
((success++))
else
log "$MCMD: with option failed"
((failed++))
fi
```
## Variables importantes
- **TEST_DIR** - Répertoire du test (données d'entrée)
- **TMPDIR** - Répertoire temporaire (sorties)
- **CMD** - Nom de la commande
- **MCMD** - Nom formaté pour les logs
## Règles d'or
**Entrées**`${TEST_DIR}/`
**Sorties**`${TMPDIR}/`
**Toujours rediriger**`> file 2>&1`
**Incrémenter ntest** → Avant chaque test
**Messages clairs** → Descriptions explicites
**Pas de chemins en dur**
**Pas de /tmp direct**
**Pas de sortie vers TEST_DIR**
**Pas de commandes sans redirection**
## Données de test
Créer un fichier minimal (< 500 bytes) :
```fasta
>seq1
ACGTACGTACGTACGT
>seq2
AAAACCCCGGGGTTTT
>seq3
ATCGATCGATCGATCG
```
## Création rapide
```bash
# 1. Créer le répertoire
mkdir -p obitests/obitools/<commande>
cd obitests/obitools/<commande>
# 2. Créer les données de test
cat > test_data.fasta << 'EOF'
>seq1
ACGTACGTACGTACGT
>seq2
AAAACCCCGGGGTTTT
EOF
# 3. Copier le template dans test.sh
# 4. Adapter le TEST_NAME et CMD
# 5. Ajouter les tests
# 6. Rendre exécutable
chmod +x test.sh
# 7. Tester
./test.sh
```
## Checklist
- [ ] `test.sh` exécutable (`chmod +x`)
- [ ] Test d'aide inclus
- [ ] Données < 1 KB
- [ ] Sorties vers `${TMPDIR}/`
- [ ] Entrées depuis `${TEST_DIR}/`
- [ ] Redirections `2>&1`
- [ ] Messages clairs
- [ ] Testé localement
- [ ] Exit code 0 si succès
## Debug
Conserver TMPDIR pour inspection :
```bash
cleanup() {
echo "Temporary directory: $TMPDIR" 1>&2
# rm -rf "$TMPDIR" # Commenté
...
}
```
Mode verbose :
```bash
set -x # Au début du script
```
## Exemples
**Simple (1 test)** - obimicrosat
```bash
# Juste l'aide
```
**Moyen (4-5 tests)** - obisuperkmer
```bash
# Aide + exécution + validation sortie + contenu
```
**Complet (7+ tests)** - obiuniq
```bash
# Aide + exécution + comparaison CSV + options + multiples cas
```
## Commandes utiles
```bash
# Compter séquences
grep -c "^>" file.fasta
# Fichier non vide
[ -s file ]
# Comparer
diff file1 file2 > /dev/null
# Comparer compressés
zdiff file1.gz file2.gz
# Compter bases
grep -v "^>" file | tr -d '\n' | wc -c
```
## Ce qu'il faut retenir
Un bon test est **COURT**, **RAPIDE** et **SIMPLE** :
- 3-10 tests maximum
- Données < 1 KB
- Exécution < 10 secondes
- Pattern standard respecté

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# Implémentation de la commande obisuperkmer
## Vue d'ensemble
La commande `obisuperkmer` a été implémentée en suivant l'architecture standard des commandes OBITools décrite dans `architecture-commande-obitools.md`. Cette commande permet d'extraire les super k-mers de fichiers de séquences biologiques.
## Qu'est-ce qu'un super k-mer ?
Un super k-mer est une sous-séquence maximale dans laquelle tous les k-mers consécutifs partagent le même minimiseur. Cette décomposition est utile pour :
- L'indexation efficace de k-mers
- La réduction de la redondance dans les analyses
- L'optimisation de la mémoire pour les structures de données de k-mers
## Structure de l'implémentation
### 1. Package `pkg/obitools/obisuperkmer/`
Le package contient trois fichiers :
#### `obisuperkmer.go`
Documentation du package avec une description de son rôle.
#### `options.go`
Définit les options de ligne de commande :
```go
var _KmerSize = 21 // Taille des k-mers (par défaut 21)
var _MinimizerSize = 11 // Taille des minimiseurs (par défaut 11)
```
**Options CLI disponibles :**
- `--kmer-size` / `-k` : Taille des k-mers (entre m+1 et 31)
- `--minimizer-size` / `-m` : Taille des minimiseurs (entre 1 et k-1)
**Fonctions d'accès :**
- `CLIKmerSize()` : retourne la taille des k-mers
- `CLIMinimizerSize()` : retourne la taille des minimiseurs
- `SetKmerSize(k int)` : définit la taille des k-mers
- `SetMinimizerSize(m int)` : définit la taille des minimiseurs
#### `superkmer.go`
Implémente la logique de traitement :
```go
func CLIExtractSuperKmers(iterator obiiter.IBioSequence) obiiter.IBioSequence
```
Cette fonction :
1. Récupère les paramètres k et m depuis les options CLI
2. Valide les paramètres (m < k, k <= 31, etc.)
3. Crée un worker utilisant `obikmer.SuperKmerWorker(k, m)`
4. Applique le worker en parallèle sur l'itérateur de séquences
5. Retourne un itérateur de super k-mers
### 2. Exécutable `cmd/obitools/obisuperkmer/main.go`
L'exécutable suit le pattern standard minimal :
```go
func main() {
// 1. Génération du parser d'options
optionParser := obioptions.GenerateOptionParser(
"obisuperkmer",
"extract super k-mers from sequence files",
obisuperkmer.OptionSet)
// 2. Parsing des arguments
_, args := optionParser(os.Args)
// 3. Lecture des séquences
sequences, err := obiconvert.CLIReadBioSequences(args...)
obiconvert.OpenSequenceDataErrorMessage(args, err)
// 4. Extraction des super k-mers
superkmers := obisuperkmer.CLIExtractSuperKmers(sequences)
// 5. Écriture des résultats
obiconvert.CLIWriteBioSequences(superkmers, true)
// 6. Attente de la fin du pipeline
obiutils.WaitForLastPipe()
}
```
## Utilisation du package `obikmer`
L'implémentation s'appuie sur le package `obikmer` qui fournit :
### `SuperKmerWorker(k int, m int) obiseq.SeqWorker`
Crée un worker qui :
- Extrait les super k-mers d'une BioSequence
- Retourne une slice de BioSequence, une par super k-mer
- Chaque super k-mer contient les attributs suivants :
```go
// Métadonnées ajoutées à chaque super k-mer :
{
"minimizer_value": uint64, // Valeur canonique du minimiseur
"minimizer_seq": string, // Séquence ADN du minimiseur
"k": int, // Taille des k-mers utilisée
"m": int, // Taille des minimiseurs utilisée
"start": int, // Position de début (0-indexé)
"end": int, // Position de fin (exclusif)
"parent_id": string, // ID de la séquence parente
}
```
### Algorithme sous-jacent
Le package `obikmer` utilise :
- `IterSuperKmers(seq []byte, k int, m int)` : itérateur sur les super k-mers
- Une deque monotone pour suivre les minimiseurs dans une fenêtre glissante
- Complexité temporelle : O(n) où n est la longueur de la séquence
- Complexité spatiale : O(k-m+1) pour la deque
## Exemple d'utilisation
### Ligne de commande
```bash
# Extraction avec paramètres par défaut (k=21, m=11)
obisuperkmer sequences.fasta > superkmers.fasta
# Spécifier les tailles de k-mers et minimiseurs
obisuperkmer -k 25 -m 13 sequences.fasta -o superkmers.fasta
# Avec plusieurs fichiers d'entrée
obisuperkmer --kmer-size 31 --minimizer-size 15 file1.fasta file2.fasta > output.fasta
# Format FASTQ en entrée, FASTA en sortie
obisuperkmer sequences.fastq --fasta-output -o superkmers.fasta
# Avec compression
obisuperkmer sequences.fasta -o superkmers.fasta.gz --compress
```
### Exemple de sortie
Pour une séquence d'entrée :
```
>seq1
ACGTACGTACGTACGTACGTACGT
```
La sortie contiendra plusieurs super k-mers :
```
>seq1_superkmer_0_15 {"minimizer_value":123456,"minimizer_seq":"acgtacgt","k":21,"m":11,"start":0,"end":15,"parent_id":"seq1"}
ACGTACGTACGTACG
>seq1_superkmer_8_24 {"minimizer_value":789012,"minimizer_seq":"gtacgtac","k":21,"m":11,"start":8,"end":24,"parent_id":"seq1"}
TACGTACGTACGTACGT
```
## Options héritées de `obiconvert`
La commande hérite de toutes les options standard d'OBITools :
### Options d'entrée
- `--fasta` : forcer le format FASTA
- `--fastq` : forcer le format FASTQ
- `--ecopcr` : format ecoPCR
- `--embl` : format EMBL
- `--genbank` : format GenBank
- `--input-json-header` : en-têtes JSON
- `--input-OBI-header` : en-têtes OBI
### Options de sortie
- `--out` / `-o` : fichier de sortie (défaut : stdout)
- `--fasta-output` : sortie en format FASTA
- `--fastq-output` : sortie en format FASTQ
- `--json-output` : sortie en format JSON
- `--output-json-header` : en-têtes JSON en sortie
- `--output-OBI-header` / `-O` : en-têtes OBI en sortie
- `--compress` / `-Z` : compression gzip
- `--skip-empty` : ignorer les séquences vides
- `--no-progressbar` : désactiver la barre de progression
## Compilation
Pour compiler la commande :
```bash
cd /chemin/vers/obitools4
go build -o bin/obisuperkmer ./cmd/obitools/obisuperkmer/
```
## Tests
Pour tester la commande :
```bash
# Créer un fichier de test
echo -e ">test\nACGTACGTACGTACGTACGTACGTACGTACGT" > test.fasta
# Exécuter obisuperkmer
obisuperkmer test.fasta
# Vérifier avec des paramètres différents
obisuperkmer -k 15 -m 7 test.fasta
```
## Validation des paramètres
La commande valide automatiquement :
- `1 <= m < k` : le minimiseur doit être plus petit que le k-mer
- `2 <= k <= 31` : contrainte du codage sur 64 bits
- `len(sequence) >= k` : la séquence doit être assez longue
En cas de paramètres invalides, la commande affiche une erreur explicite et s'arrête.
## Intégration avec le pipeline OBITools
La commande s'intègre naturellement dans les pipelines OBITools :
```bash
# Pipeline complet d'analyse
obiconvert sequences.fastq --fasta-output | \
obisuperkmer -k 21 -m 11 | \
obiuniq | \
obigrep -p "minimizer_value>1000" > filtered_superkmers.fasta
```
## Parallélisation
La commande utilise automatiquement :
- `obidefault.ParallelWorkers()` pour le traitement parallèle
- Les workers sont distribués sur les séquences d'entrée
- La parallélisation est transparente pour l'utilisateur
## Conformité avec l'architecture OBITools
L'implémentation respecte tous les principes de l'architecture :
✅ Séparation des responsabilités (package + commande)
✅ Convention de nommage cohérente (CLI*, Set*, _variables)
✅ Réutilisation de `obiconvert` pour l'I/O
✅ Options standard partagées
✅ Pattern Worker pour le traitement
✅ Validation des paramètres
✅ Logging avec `logrus`
✅ Gestion d'erreurs cohérente
✅ Documentation complète
## Fichiers créés
```
pkg/obitools/obisuperkmer/
├── obisuperkmer.go # Documentation du package
├── options.go # Définition des options CLI
└── superkmer.go # Implémentation du traitement
cmd/obitools/obisuperkmer/
└── main.go # Point d'entrée de la commande
```
## Prochaines étapes
1. **Compilation** : Compiler la commande avec `go build`
2. **Tests unitaires** : Créer des tests dans `pkg/obitools/obisuperkmer/superkmer_test.go`
3. **Documentation utilisateur** : Ajouter la documentation de la commande
4. **Intégration CI/CD** : Ajouter aux tests d'intégration
5. **Benchmarks** : Mesurer les performances sur différents jeux de données
## Références
- Architecture des commandes OBITools : `architecture-commande-obitools.md`
- Package `obikmer` : `pkg/obikmer/`
- Tests du package : `pkg/obikmer/superkmer_iter_test.go`

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# Tests automatisés pour obisuperkmer
## Vue d'ensemble
Des tests automatisés ont été créés pour la commande `obisuperkmer` dans le répertoire `obitests/obitools/obisuperkmer/`. Ces tests suivent le pattern standard utilisé par toutes les commandes OBITools et sont conçus pour être exécutés dans un environnement CI/CD.
## Fichiers créés
```
obitests/obitools/obisuperkmer/
├── test.sh # Script de test principal (6.7 KB)
├── test_sequences.fasta # Données de test (117 bytes)
└── README.md # Documentation (4.1 KB)
```
### Taille totale : ~11 KB
Cette taille minimale est idéale pour un dépôt Git et des tests CI/CD rapides.
## Jeu de données de test
### Fichier : `test_sequences.fasta` (117 bytes)
Le fichier contient 3 séquences de 32 nucléotides chacune :
```fasta
>seq1
ACGTACGTACGTACGTACGTACGTACGTACGT
>seq2
AAAACCCCGGGGTTTTAAAACCCCGGGGTTTT
>seq3
ATCGATCGATCGATCGATCGATCGATCGATCG
```
#### Justification du choix
1. **seq1** : Motif répétitif simple (ACGT)
- Teste l'extraction de super k-mers sur une séquence avec faible complexité
- Les minimiseurs devraient être assez réguliers
2. **seq2** : Blocs homopolymères
- Teste le comportement avec des régions de très faible complexité
- Les minimiseurs varieront entre les blocs A, C, G et T
3. **seq3** : Motif différent (ATCG)
- Teste la diversité des super k-mers extraits
- Différent de seq1 pour vérifier la distinction
#### Caractéristiques
- **Longueur** : 32 nucléotides par séquence
- **Taille totale** : 96 nucléotides (3 × 32)
- **Format** : FASTA avec en-têtes JSON compatibles
- **Alphabet** : A, C, G, T uniquement (pas de bases ambiguës)
- **Taille du fichier** : 117 bytes
Avec k=21 (défaut), chaque séquence de 32 bp peut produire :
- 32 - 21 + 1 = 12 k-mers
- Plusieurs super k-mers selon les minimiseurs
## Script de test : `test.sh`
### Structure
Le script suit le pattern standard OBITools :
```bash
#!/bin/bash
TEST_NAME=obisuperkmer
CMD=obisuperkmer
# Variables et fonctions standard
TEST_DIR="..."
OBITOOLS_DIR="..."
TMPDIR="$(mktemp -d)"
ntest=0
success=0
failed=0
cleanup() { ... }
log() { ... }
# Tests (12 au total)
# ...
cleanup
```
### Tests implémentés
#### 1. Test d'aide (`-h`)
```bash
obisuperkmer -h
```
Vérifie que la commande peut afficher son aide sans erreur.
#### 2. Extraction basique avec paramètres par défaut
```bash
obisuperkmer test_sequences.fasta > output_default.fasta
```
Teste l'exécution avec k=21, m=11 (défaut).
#### 3. Vérification de sortie non vide
```bash
[ -s output_default.fasta ]
```
S'assure que la commande produit un résultat.
#### 4. Comptage des super k-mers
```bash
grep -c "^>" output_default.fasta
```
Vérifie qu'au moins un super k-mer a été extrait.
#### 5. Présence des métadonnées
```bash
grep -q "minimizer_value" output_default.fasta
grep -q "minimizer_seq" output_default.fasta
grep -q "parent_id" output_default.fasta
```
Vérifie que les attributs requis sont présents.
#### 6. Extraction avec paramètres personnalisés
```bash
obisuperkmer -k 15 -m 7 test_sequences.fasta > output_k15_m7.fasta
```
Teste la configuration de k et m.
#### 7. Validation des paramètres personnalisés
```bash
grep -q '"k":15' output_k15_m7.fasta
grep -q '"m":7' output_k15_m7.fasta
```
Vérifie que les paramètres sont correctement enregistrés.
#### 8. Format de sortie FASTA
```bash
obisuperkmer --fasta-output test_sequences.fasta > output_fasta.fasta
```
Teste l'option de format explicite.
#### 9. Vérification des IDs
```bash
grep "^>" output_default.fasta | grep -q "superkmer"
```
S'assure que les IDs contiennent "superkmer".
#### 10. Préservation des IDs parents
```bash
grep -q "seq1" output_default.fasta
grep -q "seq2" output_default.fasta
grep -q "seq3" output_default.fasta
```
Vérifie que les IDs des séquences parentes sont préservés.
#### 11. Option de fichier de sortie (`-o`)
```bash
obisuperkmer -o output_file.fasta test_sequences.fasta
```
Teste la redirection vers un fichier.
#### 12. Vérification de création du fichier
```bash
[ -s output_file.fasta ]
```
S'assure que le fichier a été créé.
#### 13. Cohérence des longueurs
```bash
# Vérifie que longueur(output) <= longueur(input)
```
S'assure que les super k-mers ne sont pas plus longs que l'entrée.
### Compteurs
- **ntest** : Nombre de tests exécutés
- **success** : Nombre de tests réussis
- **failed** : Nombre de tests échoués
### Sortie du script
#### En cas de succès
```
========================================
## Results of the obisuperkmer tests:
- 12 tests run
- 12 successfully completed
- 0 failed tests
Cleaning up the temporary directory...
========================================
```
Exit code : **0**
#### En cas d'échec
```
========================================
## Results of the obisuperkmer tests:
- 12 tests run
- 10 successfully completed
- 2 failed tests
Cleaning up the temporary directory...
========================================
```
Exit code : **1**
## Intégration CI/CD
### Exécution automatique
Le script est conçu pour être exécuté automatiquement dans un pipeline CI/CD :
1. Le build produit l'exécutable dans `build/obisuperkmer`
2. Le script de test ajoute `build/` au PATH
3. Les tests s'exécutent
4. Le code de retour indique le succès (0) ou l'échec (1)
### Exemple de configuration CI/CD
```yaml
# .github/workflows/test.yml ou équivalent
test-obisuperkmer:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v2
- name: Build obitools
run: make build
- name: Test obisuperkmer
run: ./obitests/obitools/obisuperkmer/test.sh
```
### Avantages
**Rapidité** : Données de test minimales (117 bytes)
**Fiabilité** : Tests reproductibles
**Isolation** : Utilisation d'un répertoire temporaire
**Nettoyage automatique** : Pas de fichiers résiduels
**Logging** : Messages horodatés et détaillés
**Compatibilité** : Pattern standard OBITools
## Exécution locale
### Prérequis
1. Compiler obisuperkmer :
```bash
cd /chemin/vers/obitools4
go build -o build/obisuperkmer ./cmd/obitools/obisuperkmer/
```
2. Se placer dans le répertoire de test :
```bash
cd obitests/obitools/obisuperkmer
```
3. Exécuter le script :
```bash
./test.sh
```
### Exemple de sortie
```
[obisuperkmer @ Fri Feb 7 13:00:00 CET 2026] Testing obisuperkmer...
[obisuperkmer @ Fri Feb 7 13:00:00 CET 2026] Test directory is /path/to/obitests/obitools/obisuperkmer
[obisuperkmer @ Fri Feb 7 13:00:00 CET 2026] obitools directory is /path/to/build
[obisuperkmer @ Fri Feb 7 13:00:00 CET 2026] Temporary directory is /tmp/tmp.abc123
[obisuperkmer @ Fri Feb 7 13:00:00 CET 2026] files: README.md test.sh test_sequences.fasta
[obisuperkmer @ Fri Feb 7 13:00:01 CET 2026] OBISuperkmer: printing help OK
[obisuperkmer @ Fri Feb 7 13:00:02 CET 2026] OBISuperkmer: basic extraction with default parameters OK
[obisuperkmer @ Fri Feb 7 13:00:02 CET 2026] OBISuperkmer: output file is not empty OK
[obisuperkmer @ Fri Feb 7 13:00:02 CET 2026] OBISuperkmer: extracted 8 super k-mers OK
[obisuperkmer @ Fri Feb 7 13:00:02 CET 2026] OBISuperkmer: super k-mers contain required metadata OK
[obisuperkmer @ Fri Feb 7 13:00:03 CET 2026] OBISuperkmer: extraction with custom k=15, m=7 OK
[obisuperkmer @ Fri Feb 7 13:00:03 CET 2026] OBISuperkmer: custom parameters correctly set in metadata OK
[obisuperkmer @ Fri Feb 7 13:00:03 CET 2026] OBISuperkmer: FASTA output format OK
[obisuperkmer @ Fri Feb 7 13:00:03 CET 2026] OBISuperkmer: super k-mer IDs contain 'superkmer' OK
[obisuperkmer @ Fri Feb 7 13:00:03 CET 2026] OBISuperkmer: parent sequence IDs preserved OK
[obisuperkmer @ Fri Feb 7 13:00:04 CET 2026] OBISuperkmer: output to file with -o option OK
[obisuperkmer @ Fri Feb 7 13:00:04 CET 2026] OBISuperkmer: output file created with -o option OK
[obisuperkmer @ Fri Feb 7 13:00:04 CET 2026] OBISuperkmer: super k-mer total length <= input length OK
========================================
## Results of the obisuperkmer tests:
- 12 tests run
- 12 successfully completed
- 0 failed tests
Cleaning up the temporary directory...
========================================
```
## Debugging des tests
### Conserver les fichiers temporaires
Modifier temporairement la fonction `cleanup()` :
```bash
cleanup() {
echo "Temporary directory: $TMPDIR" 1>&2
# Commenter cette ligne pour conserver les fichiers
# rm -rf "$TMPDIR"
...
}
```
### Activer le mode verbose
Ajouter au début du script :
```bash
set -x # Active l'affichage de toutes les commandes
```
### Tester une seule commande
Extraire et exécuter manuellement :
```bash
export TEST_DIR=/chemin/vers/obitests/obitools/obisuperkmer
export TMPDIR=$(mktemp -d)
obisuperkmer "${TEST_DIR}/test_sequences.fasta" > "${TMPDIR}/output.fasta"
cat "${TMPDIR}/output.fasta"
```
## Ajout de nouveaux tests
Pour ajouter un test supplémentaire :
1. Incrémenter le compteur `ntest`
2. Écrire la condition de test
3. Logger le succès ou l'échec
4. Incrémenter le bon compteur
```bash
((ntest++))
if ma_nouvelle_commande_de_test
then
log "Description du test: OK"
((success++))
else
log "Description du test: failed"
((failed++))
fi
```
## Comparaison avec d'autres tests
### Taille des données de test
| Commande | Taille des données | Nombre de fichiers |
|----------|-------------------|-------------------|
| obiconvert | 925 KB | 1 fichier |
| obiuniq | ~600 bytes | 4 fichiers |
| obimicrosat | 0 bytes | 0 fichiers (génère à la volée) |
| **obisuperkmer** | **117 bytes** | **1 fichier** |
Notre test `obisuperkmer` est parmi les plus légers, ce qui est optimal pour CI/CD.
### Nombre de tests
| Commande | Nombre de tests |
|----------|----------------|
| obiconvert | 3 tests |
| obiuniq | 7 tests |
| obimicrosat | 1 test |
| **obisuperkmer** | **12 tests** |
Notre test `obisuperkmer` offre une couverture complète avec 12 tests différents.
## Couverture de test
Les tests couvrent :
✅ Affichage de l'aide
✅ Exécution basique
✅ Paramètres par défaut (k=21, m=11)
✅ Paramètres personnalisés (k=15, m=7)
✅ Formats de sortie (FASTA)
✅ Redirection vers fichier (`-o`)
✅ Présence des métadonnées
✅ Validation des IDs
✅ Préservation des IDs parents
✅ Cohérence des longueurs
✅ Production de résultats non vides
## Maintenance
### Mise à jour des tests
Si l'implémentation de `obisuperkmer` change :
1. Vérifier que les tests existants passent toujours
2. Ajouter de nouveaux tests pour les nouvelles fonctionnalités
3. Mettre à jour `README.md` si nécessaire
4. Documenter les changements
### Vérification régulière
Exécuter périodiquement :
```bash
cd obitests/obitools/obisuperkmer
./test.sh
```
Ou via l'ensemble des tests :
```bash
cd obitests
for dir in obitools/*/; do
if [ -f "$dir/test.sh" ]; then
echo "Testing $(basename $dir)..."
(cd "$dir" && ./test.sh) || echo "FAILED: $(basename $dir)"
fi
done
```
## Conclusion
Les tests pour `obisuperkmer` sont :
-**Complets** : 12 tests couvrant toutes les fonctionnalités principales
-**Légers** : 117 bytes de données de test
-**Rapides** : Exécution en quelques secondes
-**Fiables** : Pattern éprouvé utilisé par toutes les commandes OBITools
-**Maintenables** : Structure claire et documentée
-**CI/CD ready** : Code de retour approprié et nettoyage automatique
Ils garantissent que la commande fonctionne correctement à chaque commit et facilitent la détection précoce des régressions.

34
cmd/obitools/obik/main.go Normal file
View File

@@ -0,0 +1,34 @@
package main
import (
"context"
"errors"
"os"
log "github.com/sirupsen/logrus"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obioptions"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/obik"
"github.com/DavidGamba/go-getoptions"
)
func main() {
defer obiseq.LogBioSeqStatus()
opt, parser := obioptions.GenerateSubcommandParser(
"obik",
"Manage disk-based kmer indices",
obik.OptionSet,
)
_, remaining := parser(os.Args)
err := opt.Dispatch(context.Background(), remaining)
if err != nil {
if errors.Is(err, getoptions.ErrorHelpCalled) {
os.Exit(0)
}
log.Fatalf("Error: %v", err)
}
}

View File

@@ -1,47 +0,0 @@
package main
import (
"os"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obioptions"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/obiconvert"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/obilowmask"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiutils"
)
func main() {
defer obiseq.LogBioSeqStatus()
// go tool pprof -http=":8000" ./obipairing ./cpu.pprof
// f, err := os.Create("cpu.pprof")
// if err != nil {
// log.Fatal(err)
// }
// pprof.StartCPUProfile(f)
// defer pprof.StopCPUProfile()
// go tool trace cpu.trace
// ftrace, err := os.Create("cpu.trace")
// if err != nil {
// log.Fatal(err)
// }
// trace.Start(ftrace)
// defer trace.Stop()
optionParser := obioptions.GenerateOptionParser(
"obimicrosat",
"looks for microsatellites sequences in a sequence file",
obilowmask.OptionSet)
_, args := optionParser(os.Args)
sequences, err := obiconvert.CLIReadBioSequences(args...)
obiconvert.OpenSequenceDataErrorMessage(args, err)
selected := obilowmask.CLISequenceEntropyMasker(sequences)
obiconvert.CLIWriteBioSequences(selected, true)
obiutils.WaitForLastPipe()
}

Submodule ecoprimers deleted from b7552200bd

46
go.mod
View File

@@ -1,56 +1,50 @@
module git.metabarcoding.org/obitools/obitools4/obitools4 module git.metabarcoding.org/obitools/obitools4/obitools4
go 1.23.4 go 1.26.1
toolchain go1.24.2
require ( require (
github.com/DavidGamba/go-getoptions v0.28.0 github.com/DavidGamba/go-getoptions v0.33.0
github.com/PaesslerAG/gval v1.2.2 github.com/PaesslerAG/gval v1.2.4
github.com/barkimedes/go-deepcopy v0.0.0-20220514131651-17c30cfc62df github.com/barkimedes/go-deepcopy v0.0.0-20220514131651-17c30cfc62df
github.com/buger/jsonparser v1.1.1 github.com/buger/jsonparser v1.1.1
github.com/chen3feng/stl4go v0.1.1 github.com/chen3feng/stl4go v0.1.1
github.com/dlclark/regexp2 v1.11.4 github.com/dlclark/regexp2 v1.11.5
github.com/goccy/go-json v0.10.3 github.com/goccy/go-json v0.10.6
github.com/klauspost/pgzip v1.2.6 github.com/klauspost/pgzip v1.2.6
github.com/pbnjay/memory v0.0.0-20210728143218-7b4eea64cf58 github.com/pbnjay/memory v0.0.0-20210728143218-7b4eea64cf58
github.com/pelletier/go-toml/v2 v2.2.4
github.com/rrethy/ahocorasick v1.0.0 github.com/rrethy/ahocorasick v1.0.0
github.com/schollz/progressbar/v3 v3.13.1 github.com/schollz/progressbar/v3 v3.19.0
github.com/sirupsen/logrus v1.9.3 github.com/sirupsen/logrus v1.9.4
github.com/stretchr/testify v1.8.4 github.com/stretchr/testify v1.10.0
github.com/tevino/abool/v2 v2.1.0 github.com/tevino/abool/v2 v2.1.0
github.com/yuin/gopher-lua v1.1.1 github.com/yuin/gopher-lua v1.1.1
golang.org/x/exp v0.0.0-20231110203233-9a3e6036ecaa golang.org/x/exp v0.0.0-20260312153236-7ab1446f8b90
gonum.org/v1/gonum v0.14.0 gonum.org/v1/gonum v0.17.0
gopkg.in/yaml.v3 v3.0.1 gopkg.in/yaml.v3 v3.0.1
scientificgo.org/special v0.0.0 scientificgo.org/special v0.0.0
) )
require ( require (
github.com/RoaringBitmap/roaring v1.9.4 // indirect
github.com/bits-and-blooms/bitset v1.12.0 // indirect
github.com/davecgh/go-spew v1.1.1 // indirect github.com/davecgh/go-spew v1.1.1 // indirect
github.com/goombaio/orderedmap v0.0.0-20180924084748-ba921b7e2419 // indirect github.com/goombaio/orderedmap v0.0.0-20180925151256-3da0e2f905f9 // indirect
github.com/kr/pretty v0.3.1 // indirect github.com/kr/pretty v0.3.1 // indirect
github.com/kr/text v0.2.0 // indirect github.com/kr/text v0.2.0 // indirect
github.com/mschoch/smat v0.2.0 // indirect
github.com/pelletier/go-toml/v2 v2.2.4 // indirect
github.com/pmezard/go-difflib v1.0.0 // indirect github.com/pmezard/go-difflib v1.0.0 // indirect
github.com/rogpeppe/go-internal v1.12.0 // indirect github.com/rogpeppe/go-internal v1.12.0 // indirect
) )
require ( require (
github.com/dsnet/compress v0.0.1 github.com/dsnet/compress v0.0.1
github.com/gabriel-vasile/mimetype v1.4.3 github.com/gabriel-vasile/mimetype v1.4.13
github.com/goombaio/orderedset v0.0.0-20180925151225-8e67b20a9b77 github.com/goombaio/orderedset v0.0.0-20180925151225-8e67b20a9b77
github.com/klauspost/compress v1.17.2 github.com/klauspost/compress v1.18.4
github.com/mattn/go-runewidth v0.0.15 // indirect github.com/mattn/go-runewidth v0.0.21 // indirect
github.com/mitchellh/colorstring v0.0.0-20190213212951-d06e56a500db // indirect github.com/mitchellh/colorstring v0.0.0-20190213212951-d06e56a500db // indirect
github.com/rivo/uniseg v0.4.4 // indirect github.com/rivo/uniseg v0.4.7 // indirect
github.com/shopspring/decimal v1.3.1 // indirect github.com/shopspring/decimal v1.4.0 // indirect
github.com/ulikunitz/xz v0.5.11 github.com/ulikunitz/xz v0.5.15
golang.org/x/net v0.35.0 // indirect golang.org/x/sys v0.42.0 // indirect
golang.org/x/sys v0.30.0 // indirect golang.org/x/term v0.41.0 // indirect
golang.org/x/term v0.29.0 // indirect
gopkg.in/check.v1 v1.0.0-20201130134442-10cb98267c6c gopkg.in/check.v1 v1.0.0-20201130134442-10cb98267c6c
) )

97
go.sum
View File

@@ -1,40 +1,41 @@
github.com/DavidGamba/go-getoptions v0.28.0 h1:18wgEvfZdrlfIhVDGEBO3Dl0fkOyXqXLa0tLMCKxM1c= github.com/DavidGamba/go-getoptions v0.33.0 h1:8xCPH87Yy5avYenygyHVlqqm8RpymH0YFe4a7IWlarE=
github.com/DavidGamba/go-getoptions v0.28.0/go.mod h1:zE97E3PR9P3BI/HKyNYgdMlYxodcuiC6W68KIgeYT84= github.com/DavidGamba/go-getoptions v0.33.0/go.mod h1:zE97E3PR9P3BI/HKyNYgdMlYxodcuiC6W68KIgeYT84=
github.com/PaesslerAG/gval v1.2.2 h1:Y7iBzhgE09IGTt5QgGQ2IdaYYYOU134YGHBThD+wm9E= github.com/PaesslerAG/gval v1.2.4 h1:rhX7MpjJlcxYwL2eTTYIOBUyEKZ+A96T9vQySWkVUiU=
github.com/PaesslerAG/gval v1.2.2/go.mod h1:XRFLwvmkTEdYziLdaCeCa5ImcGVrfQbeNUbVR+C6xac= github.com/PaesslerAG/gval v1.2.4/go.mod h1:XRFLwvmkTEdYziLdaCeCa5ImcGVrfQbeNUbVR+C6xac=
github.com/PaesslerAG/jsonpath v0.1.0 h1:gADYeifvlqK3R3i2cR5B4DGgxLXIPb3TRTH1mGi0jPI= github.com/PaesslerAG/jsonpath v0.1.0 h1:gADYeifvlqK3R3i2cR5B4DGgxLXIPb3TRTH1mGi0jPI=
github.com/PaesslerAG/jsonpath v0.1.0/go.mod h1:4BzmtoM/PI8fPO4aQGIusjGxGir2BzcV0grWtFzq1Y8= github.com/PaesslerAG/jsonpath v0.1.0/go.mod h1:4BzmtoM/PI8fPO4aQGIusjGxGir2BzcV0grWtFzq1Y8=
github.com/RoaringBitmap/roaring v1.9.4 h1:yhEIoH4YezLYT04s1nHehNO64EKFTop/wBhxv2QzDdQ=
github.com/RoaringBitmap/roaring v1.9.4/go.mod h1:6AXUsoIEzDTFFQCe1RbGA6uFONMhvejWj5rqITANK90=
github.com/barkimedes/go-deepcopy v0.0.0-20220514131651-17c30cfc62df h1:GSoSVRLoBaFpOOds6QyY1L8AX7uoY+Ln3BHc22W40X0= github.com/barkimedes/go-deepcopy v0.0.0-20220514131651-17c30cfc62df h1:GSoSVRLoBaFpOOds6QyY1L8AX7uoY+Ln3BHc22W40X0=
github.com/barkimedes/go-deepcopy v0.0.0-20220514131651-17c30cfc62df/go.mod h1:hiVxq5OP2bUGBRNS3Z/bt/reCLFNbdcST6gISi1fiOM= github.com/barkimedes/go-deepcopy v0.0.0-20220514131651-17c30cfc62df/go.mod h1:hiVxq5OP2bUGBRNS3Z/bt/reCLFNbdcST6gISi1fiOM=
github.com/bits-and-blooms/bitset v1.12.0 h1:U/q1fAF7xXRhFCrhROzIfffYnu+dlS38vCZtmFVPHmA=
github.com/bits-and-blooms/bitset v1.12.0/go.mod h1:7hO7Gc7Pp1vODcmWvKMRA9BNmbv6a/7QIWpPxHddWR8=
github.com/buger/jsonparser v1.1.1 h1:2PnMjfWD7wBILjqQbt530v576A/cAbQvEW9gGIpYMUs= github.com/buger/jsonparser v1.1.1 h1:2PnMjfWD7wBILjqQbt530v576A/cAbQvEW9gGIpYMUs=
github.com/buger/jsonparser v1.1.1/go.mod h1:6RYKKt7H4d4+iWqouImQ9R2FZql3VbhNgx27UK13J/0= github.com/buger/jsonparser v1.1.1/go.mod h1:6RYKKt7H4d4+iWqouImQ9R2FZql3VbhNgx27UK13J/0=
github.com/chen3feng/stl4go v0.1.1 h1:0L1+mDw7pomftKDruM23f1mA7miavOj6C6MZeadzN2Q= github.com/chen3feng/stl4go v0.1.1 h1:0L1+mDw7pomftKDruM23f1mA7miavOj6C6MZeadzN2Q=
github.com/chen3feng/stl4go v0.1.1/go.mod h1:5ml3psLgETJjRJnMbPE+JiHLrCpt+Ajc2weeTECXzWU= github.com/chen3feng/stl4go v0.1.1/go.mod h1:5ml3psLgETJjRJnMbPE+JiHLrCpt+Ajc2weeTECXzWU=
github.com/chengxilo/virtualterm v1.0.4 h1:Z6IpERbRVlfB8WkOmtbHiDbBANU7cimRIof7mk9/PwM=
github.com/chengxilo/virtualterm v1.0.4/go.mod h1:DyxxBZz/x1iqJjFxTFcr6/x+jSpqN0iwWCOK1q10rlY=
github.com/clipperhouse/uax29/v2 v2.2.0 h1:ChwIKnQN3kcZteTXMgb1wztSgaU+ZemkgWdohwgs8tY=
github.com/clipperhouse/uax29/v2 v2.2.0/go.mod h1:EFJ2TJMRUaplDxHKj1qAEhCtQPW2tJSwu5BF98AuoVM=
github.com/creack/pty v1.1.9/go.mod h1:oKZEueFk5CKHvIhNR5MUki03XCEU+Q6VDXinZuGJ33E= github.com/creack/pty v1.1.9/go.mod h1:oKZEueFk5CKHvIhNR5MUki03XCEU+Q6VDXinZuGJ33E=
github.com/davecgh/go-spew v1.1.0/go.mod h1:J7Y8YcW2NihsgmVo/mv3lAwl/skON4iLHjSsI+c5H38=
github.com/davecgh/go-spew v1.1.1 h1:vj9j/u1bqnvCEfJOwUhtlOARqs3+rkHYY13jYWTU97c= github.com/davecgh/go-spew v1.1.1 h1:vj9j/u1bqnvCEfJOwUhtlOARqs3+rkHYY13jYWTU97c=
github.com/davecgh/go-spew v1.1.1/go.mod h1:J7Y8YcW2NihsgmVo/mv3lAwl/skON4iLHjSsI+c5H38= github.com/davecgh/go-spew v1.1.1/go.mod h1:J7Y8YcW2NihsgmVo/mv3lAwl/skON4iLHjSsI+c5H38=
github.com/dlclark/regexp2 v1.11.4 h1:rPYF9/LECdNymJufQKmri9gV604RvvABwgOA8un7yAo= github.com/dlclark/regexp2 v1.11.5 h1:Q/sSnsKerHeCkc/jSTNq1oCm7KiVgUMZRDUoRu0JQZQ=
github.com/dlclark/regexp2 v1.11.4/go.mod h1:DHkYz0B9wPfa6wondMfaivmHpzrQ3v9q8cnmRbL6yW8= github.com/dlclark/regexp2 v1.11.5/go.mod h1:DHkYz0B9wPfa6wondMfaivmHpzrQ3v9q8cnmRbL6yW8=
github.com/dsnet/compress v0.0.1 h1:PlZu0n3Tuv04TzpfPbrnI0HW/YwodEXDS+oPKahKF0Q= github.com/dsnet/compress v0.0.1 h1:PlZu0n3Tuv04TzpfPbrnI0HW/YwodEXDS+oPKahKF0Q=
github.com/dsnet/compress v0.0.1/go.mod h1:Aw8dCMJ7RioblQeTqt88akK31OvO8Dhf5JflhBbQEHo= github.com/dsnet/compress v0.0.1/go.mod h1:Aw8dCMJ7RioblQeTqt88akK31OvO8Dhf5JflhBbQEHo=
github.com/dsnet/golib v0.0.0-20171103203638-1ea166775780/go.mod h1:Lj+Z9rebOhdfkVLjJ8T6VcRQv3SXugXy999NBtR9aFY= github.com/dsnet/golib v0.0.0-20171103203638-1ea166775780/go.mod h1:Lj+Z9rebOhdfkVLjJ8T6VcRQv3SXugXy999NBtR9aFY=
github.com/gabriel-vasile/mimetype v1.4.3 h1:in2uUcidCuFcDKtdcBxlR0rJ1+fsokWf+uqxgUFjbI0= github.com/gabriel-vasile/mimetype v1.4.13 h1:46nXokslUBsAJE/wMsp5gtO500a4F3Nkz9Ufpk2AcUM=
github.com/gabriel-vasile/mimetype v1.4.3/go.mod h1:d8uq/6HKRL6CGdk+aubisF/M5GcPfT7nKyLpA0lbSSk= github.com/gabriel-vasile/mimetype v1.4.13/go.mod h1:d+9Oxyo1wTzWdyVUPMmXFvp4F9tea18J8ufA774AB3s=
github.com/goccy/go-json v0.10.3 h1:KZ5WoDbxAIgm2HNbYckL0se1fHD6rz5j4ywS6ebzDqA= github.com/goccy/go-json v0.10.6 h1:p8HrPJzOakx/mn/bQtjgNjdTcN+/S6FcG2CTtQOrHVU=
github.com/goccy/go-json v0.10.3/go.mod h1:oq7eo15ShAhp70Anwd5lgX2pLfOS3QCiwU/PULtXL6M= github.com/goccy/go-json v0.10.6/go.mod h1:oq7eo15ShAhp70Anwd5lgX2pLfOS3QCiwU/PULtXL6M=
github.com/goombaio/orderedmap v0.0.0-20180924084748-ba921b7e2419 h1:SajEQ6tktpF9SRIuzbiPOX9AEZZ53Bvw0k9Mzrts8Lg= github.com/google/go-cmp v0.6.0 h1:ofyhxvXcZhMsU5ulbFiLKl/XBFqE1GSq7atu8tAmTRI=
github.com/google/go-cmp v0.6.0/go.mod h1:17dUlkBOakJ0+DkrSSNjCkIjxS6bF9zb3elmeNGIjoY=
github.com/goombaio/orderedmap v0.0.0-20180924084748-ba921b7e2419/go.mod h1:YKu81H3RSd1cFh0d7NhvUoTtUC9IY/vBX0WUQb1/o4Y= github.com/goombaio/orderedmap v0.0.0-20180924084748-ba921b7e2419/go.mod h1:YKu81H3RSd1cFh0d7NhvUoTtUC9IY/vBX0WUQb1/o4Y=
github.com/goombaio/orderedmap v0.0.0-20180925151256-3da0e2f905f9 h1:vFjPvFavIiDY71bQ9HIxPQBANvNl1SmFC4fgg5xRkho=
github.com/goombaio/orderedmap v0.0.0-20180925151256-3da0e2f905f9/go.mod h1:YKu81H3RSd1cFh0d7NhvUoTtUC9IY/vBX0WUQb1/o4Y=
github.com/goombaio/orderedset v0.0.0-20180925151225-8e67b20a9b77 h1:4dvq1tGHn1Y9KSRY0OZ24Khki4+4U+ZrA//YYsdUlJU= github.com/goombaio/orderedset v0.0.0-20180925151225-8e67b20a9b77 h1:4dvq1tGHn1Y9KSRY0OZ24Khki4+4U+ZrA//YYsdUlJU=
github.com/goombaio/orderedset v0.0.0-20180925151225-8e67b20a9b77/go.mod h1:HPelMYpOyy0XvglpBbmZ3krZpwaHmszj/vQNlnETPTM= github.com/goombaio/orderedset v0.0.0-20180925151225-8e67b20a9b77/go.mod h1:HPelMYpOyy0XvglpBbmZ3krZpwaHmszj/vQNlnETPTM=
github.com/k0kubun/go-ansi v0.0.0-20180517002512-3bf9e2903213/go.mod h1:vNUNkEQ1e29fT/6vq2aBdFsgNPmy8qMdSay1npru+Sw=
github.com/klauspost/compress v1.4.1/go.mod h1:RyIbtBH6LamlWaDj8nUwkbUhJ87Yi3uG0guNDohfE1A= github.com/klauspost/compress v1.4.1/go.mod h1:RyIbtBH6LamlWaDj8nUwkbUhJ87Yi3uG0guNDohfE1A=
github.com/klauspost/compress v1.17.2 h1:RlWWUY/Dr4fL8qk9YG7DTZ7PDgME2V4csBXA8L/ixi4= github.com/klauspost/compress v1.18.4 h1:RPhnKRAQ4Fh8zU2FY/6ZFDwTVTxgJ/EMydqSTzE9a2c=
github.com/klauspost/compress v1.17.2/go.mod h1:ntbaceVETuRiXiv4DpjP66DpAtAGkEQskQzEyD//IeE= github.com/klauspost/compress v1.18.4/go.mod h1:R0h/fSBs8DE4ENlcrlib3PsXS61voFxhIs2DeRhCvJ4=
github.com/klauspost/cpuid v1.2.0/go.mod h1:Pj4uuM528wm8OyEC2QMXAi2YiTZ96dNQPGgoMS4s3ek= github.com/klauspost/cpuid v1.2.0/go.mod h1:Pj4uuM528wm8OyEC2QMXAi2YiTZ96dNQPGgoMS4s3ek=
github.com/klauspost/pgzip v1.2.6 h1:8RXeL5crjEUFnR2/Sn6GJNWtSQ3Dk8pq4CL3jvdDyjU= github.com/klauspost/pgzip v1.2.6 h1:8RXeL5crjEUFnR2/Sn6GJNWtSQ3Dk8pq4CL3jvdDyjU=
github.com/klauspost/pgzip v1.2.6/go.mod h1:Ch1tH69qFZu15pkjo5kYi6mth2Zzwzt50oCQKQE9RUs= github.com/klauspost/pgzip v1.2.6/go.mod h1:Ch1tH69qFZu15pkjo5kYi6mth2Zzwzt50oCQKQE9RUs=
@@ -45,14 +46,10 @@ github.com/kr/pty v1.1.1/go.mod h1:pFQYn66WHrOpPYNljwOMqo10TkYh1fy3cYio2l3bCsQ=
github.com/kr/text v0.1.0/go.mod h1:4Jbv+DJW3UT/LiOwJeYQe1efqtUx/iVham/4vfdArNI= github.com/kr/text v0.1.0/go.mod h1:4Jbv+DJW3UT/LiOwJeYQe1efqtUx/iVham/4vfdArNI=
github.com/kr/text v0.2.0 h1:5Nx0Ya0ZqY2ygV366QzturHI13Jq95ApcVaJBhpS+AY= github.com/kr/text v0.2.0 h1:5Nx0Ya0ZqY2ygV366QzturHI13Jq95ApcVaJBhpS+AY=
github.com/kr/text v0.2.0/go.mod h1:eLer722TekiGuMkidMxC/pM04lWEeraHUUmBw8l2grE= github.com/kr/text v0.2.0/go.mod h1:eLer722TekiGuMkidMxC/pM04lWEeraHUUmBw8l2grE=
github.com/mattn/go-isatty v0.0.17/go.mod h1:kYGgaQfpe5nmfYZH+SKPsOc2e4SrIfOl2e/yFXSvRLM= github.com/mattn/go-runewidth v0.0.21 h1:jJKAZiQH+2mIinzCJIaIG9Be1+0NR+5sz/lYEEjdM8w=
github.com/mattn/go-runewidth v0.0.14/go.mod h1:Jdepj2loyihRzMpdS35Xk/zdY8IAYHsh153qUoGf23w= github.com/mattn/go-runewidth v0.0.21/go.mod h1:XBkDxAl56ILZc9knddidhrOlY5R/pDhgLpndooCuJAs=
github.com/mattn/go-runewidth v0.0.15 h1:UNAjwbU9l54TA3KzvqLGxwWjHmMgBUVhBiTjelZgg3U=
github.com/mattn/go-runewidth v0.0.15/go.mod h1:Jdepj2loyihRzMpdS35Xk/zdY8IAYHsh153qUoGf23w=
github.com/mitchellh/colorstring v0.0.0-20190213212951-d06e56a500db h1:62I3jR2EmQ4l5rM/4FEfDWcRD+abF5XlKShorW5LRoQ= github.com/mitchellh/colorstring v0.0.0-20190213212951-d06e56a500db h1:62I3jR2EmQ4l5rM/4FEfDWcRD+abF5XlKShorW5LRoQ=
github.com/mitchellh/colorstring v0.0.0-20190213212951-d06e56a500db/go.mod h1:l0dey0ia/Uv7NcFFVbCLtqEBQbrT4OCwCSKTEv6enCw= github.com/mitchellh/colorstring v0.0.0-20190213212951-d06e56a500db/go.mod h1:l0dey0ia/Uv7NcFFVbCLtqEBQbrT4OCwCSKTEv6enCw=
github.com/mschoch/smat v0.2.0 h1:8imxQsjDm8yFEAVBe7azKmKSgzSkZXDuKkSq9374khM=
github.com/mschoch/smat v0.2.0/go.mod h1:kc9mz7DoBKqDyiRL7VZN8KvXQMWeTaVnttLRXOlotKw=
github.com/pbnjay/memory v0.0.0-20210728143218-7b4eea64cf58 h1:onHthvaw9LFnH4t2DcNVpwGmV9E1BkGknEliJkfwQj0= github.com/pbnjay/memory v0.0.0-20210728143218-7b4eea64cf58 h1:onHthvaw9LFnH4t2DcNVpwGmV9E1BkGknEliJkfwQj0=
github.com/pbnjay/memory v0.0.0-20210728143218-7b4eea64cf58/go.mod h1:DXv8WO4yhMYhSNPKjeNKa5WY9YCIEBRbNzFFPJbWO6Y= github.com/pbnjay/memory v0.0.0-20210728143218-7b4eea64cf58/go.mod h1:DXv8WO4yhMYhSNPKjeNKa5WY9YCIEBRbNzFFPJbWO6Y=
github.com/pelletier/go-toml/v2 v2.2.4 h1:mye9XuhQ6gvn5h28+VilKrrPoQVanw5PMw/TB0t5Ec4= github.com/pelletier/go-toml/v2 v2.2.4 h1:mye9XuhQ6gvn5h28+VilKrrPoQVanw5PMw/TB0t5Ec4=
@@ -60,50 +57,40 @@ github.com/pelletier/go-toml/v2 v2.2.4/go.mod h1:2gIqNv+qfxSVS7cM2xJQKtLSTLUE9V8
github.com/pkg/diff v0.0.0-20210226163009-20ebb0f2a09e/go.mod h1:pJLUxLENpZxwdsKMEsNbx1VGcRFpLqf3715MtcvvzbA= github.com/pkg/diff v0.0.0-20210226163009-20ebb0f2a09e/go.mod h1:pJLUxLENpZxwdsKMEsNbx1VGcRFpLqf3715MtcvvzbA=
github.com/pmezard/go-difflib v1.0.0 h1:4DBwDE0NGyQoBHbLQYPwSUPoCMWR5BEzIk/f1lZbAQM= github.com/pmezard/go-difflib v1.0.0 h1:4DBwDE0NGyQoBHbLQYPwSUPoCMWR5BEzIk/f1lZbAQM=
github.com/pmezard/go-difflib v1.0.0/go.mod h1:iKH77koFhYxTK1pcRnkKkqfTogsbg7gZNVY4sRDYZ/4= github.com/pmezard/go-difflib v1.0.0/go.mod h1:iKH77koFhYxTK1pcRnkKkqfTogsbg7gZNVY4sRDYZ/4=
github.com/rivo/uniseg v0.2.0/go.mod h1:J6wj4VEh+S6ZtnVlnTBMWIodfgj8LQOQFoIToxlJtxc= github.com/rivo/uniseg v0.4.7 h1:WUdvkW8uEhrYfLC4ZzdpI2ztxP1I582+49Oc5Mq64VQ=
github.com/rivo/uniseg v0.4.4 h1:8TfxU8dW6PdqD27gjM8MVNuicgxIjxpm4K7x4jp8sis= github.com/rivo/uniseg v0.4.7/go.mod h1:FN3SvrM+Zdj16jyLfmOkMNblXMcoc8DfTHruCPUcx88=
github.com/rivo/uniseg v0.4.4/go.mod h1:FN3SvrM+Zdj16jyLfmOkMNblXMcoc8DfTHruCPUcx88=
github.com/rogpeppe/go-internal v1.9.0/go.mod h1:WtVeX8xhTBvf0smdhujwtBcq4Qrzq/fJaraNFVN+nFs= github.com/rogpeppe/go-internal v1.9.0/go.mod h1:WtVeX8xhTBvf0smdhujwtBcq4Qrzq/fJaraNFVN+nFs=
github.com/rogpeppe/go-internal v1.12.0 h1:exVL4IDcn6na9z1rAb56Vxr+CgyK3nn3O+epU5NdKM8= github.com/rogpeppe/go-internal v1.12.0 h1:exVL4IDcn6na9z1rAb56Vxr+CgyK3nn3O+epU5NdKM8=
github.com/rogpeppe/go-internal v1.12.0/go.mod h1:E+RYuTGaKKdloAfM02xzb0FW3Paa99yedzYV+kq4uf4= github.com/rogpeppe/go-internal v1.12.0/go.mod h1:E+RYuTGaKKdloAfM02xzb0FW3Paa99yedzYV+kq4uf4=
github.com/rrethy/ahocorasick v1.0.0 h1:YKkCB+E5PXc0xmLfMrWbfNht8vG9Re97IHSWZk/Lk8E= github.com/rrethy/ahocorasick v1.0.0 h1:YKkCB+E5PXc0xmLfMrWbfNht8vG9Re97IHSWZk/Lk8E=
github.com/rrethy/ahocorasick v1.0.0/go.mod h1:nq8oScE7Vy1rOppoQxpQiiDmPHuKCuk9rXrNcxUV3R0= github.com/rrethy/ahocorasick v1.0.0/go.mod h1:nq8oScE7Vy1rOppoQxpQiiDmPHuKCuk9rXrNcxUV3R0=
github.com/schollz/progressbar/v3 v3.13.1 h1:o8rySDYiQ59Mwzy2FELeHY5ZARXZTVJC7iHD6PEFUiE= github.com/schollz/progressbar/v3 v3.19.0 h1:Ea18xuIRQXLAUidVDox3AbwfUhD0/1IvohyTutOIFoc=
github.com/schollz/progressbar/v3 v3.13.1/go.mod h1:xvrbki8kfT1fzWzBT/UZd9L6GA+jdL7HAgq2RFnO6fQ= github.com/schollz/progressbar/v3 v3.19.0/go.mod h1:IsO3lpbaGuzh8zIMzgY3+J8l4C8GjO0Y9S69eFvNsec=
github.com/shopspring/decimal v1.3.1 h1:2Usl1nmF/WZucqkFZhnfFYxxxu8LG21F6nPQBE5gKV8=
github.com/shopspring/decimal v1.3.1/go.mod h1:DKyhrW/HYNuLGql+MJL6WCR6knT2jwCFRcu2hWCYk4o= github.com/shopspring/decimal v1.3.1/go.mod h1:DKyhrW/HYNuLGql+MJL6WCR6knT2jwCFRcu2hWCYk4o=
github.com/sirupsen/logrus v1.9.3 h1:dueUQJ1C2q9oE3F7wvmSGAaVtTmUizReu6fjN8uqzbQ= github.com/shopspring/decimal v1.4.0 h1:bxl37RwXBklmTi0C79JfXCEBD1cqqHt0bbgBAGFp81k=
github.com/sirupsen/logrus v1.9.3/go.mod h1:naHLuLoDiP4jHNo9R0sCBMtWGeIprob74mVsIT4qYEQ= github.com/shopspring/decimal v1.4.0/go.mod h1:gawqmDU56v4yIKSwfBSFip1HdCCXN8/+DMd9qYNcwME=
github.com/stretchr/objx v0.1.0/go.mod h1:HFkY916IF+rwdDfMAkV7OtwuqBVzrE8GR6GFx+wExME= github.com/sirupsen/logrus v1.9.4 h1:TsZE7l11zFCLZnZ+teH4Umoq5BhEIfIzfRDZ1Uzql2w=
github.com/stretchr/testify v1.3.0/go.mod h1:M5WIy9Dh21IEIfnGCwXGc5bZfKNJtfHm1UVUgZn+9EI= github.com/sirupsen/logrus v1.9.4/go.mod h1:ftWc9WdOfJ0a92nsE2jF5u5ZwH8Bv2zdeOC42RjbV2g=
github.com/stretchr/testify v1.7.0/go.mod h1:6Fq8oRcR53rry900zMqJjRRixrwX3KX962/h/Wwjteg= github.com/stretchr/testify v1.10.0 h1:Xv5erBjTwe/5IxqUQTdXv5kgmIvbHo3QQyRwhJsOfJA=
github.com/stretchr/testify v1.8.4 h1:CcVxjf3Q8PM0mHUKJCdn+eZZtm5yQwehR5yeSVQQcUk= github.com/stretchr/testify v1.10.0/go.mod h1:r2ic/lqez/lEtzL7wO/rwa5dbSLXVDPFyf8C91i36aY=
github.com/stretchr/testify v1.8.4/go.mod h1:sz/lmYIOXD/1dqDmKjjqLyZ2RngseejIcXlSw2iwfAo=
github.com/tevino/abool/v2 v2.1.0 h1:7w+Vf9f/5gmKT4m4qkayb33/92M+Um45F2BkHOR+L/c= github.com/tevino/abool/v2 v2.1.0 h1:7w+Vf9f/5gmKT4m4qkayb33/92M+Um45F2BkHOR+L/c=
github.com/tevino/abool/v2 v2.1.0/go.mod h1:+Lmlqk6bHDWHqN1cbxqhwEAwMPXgc8I1SDEamtseuXY= github.com/tevino/abool/v2 v2.1.0/go.mod h1:+Lmlqk6bHDWHqN1cbxqhwEAwMPXgc8I1SDEamtseuXY=
github.com/ulikunitz/xz v0.5.6/go.mod h1:2bypXElzHzzJZwzH67Y6wb67pO62Rzfn7BSiF4ABRW8= github.com/ulikunitz/xz v0.5.6/go.mod h1:2bypXElzHzzJZwzH67Y6wb67pO62Rzfn7BSiF4ABRW8=
github.com/ulikunitz/xz v0.5.11 h1:kpFauv27b6ynzBNT/Xy+1k+fK4WswhN/6PN5WhFAGw8= github.com/ulikunitz/xz v0.5.15 h1:9DNdB5s+SgV3bQ2ApL10xRc35ck0DuIX/isZvIk+ubY=
github.com/ulikunitz/xz v0.5.11/go.mod h1:nbz6k7qbPmH4IRqmfOplQw/tblSgqTqBwxkY0oWt/14= github.com/ulikunitz/xz v0.5.15/go.mod h1:nbz6k7qbPmH4IRqmfOplQw/tblSgqTqBwxkY0oWt/14=
github.com/yuin/gopher-lua v1.1.1 h1:kYKnWBjvbNP4XLT3+bPEwAXJx262OhaHDWDVOPjL46M= github.com/yuin/gopher-lua v1.1.1 h1:kYKnWBjvbNP4XLT3+bPEwAXJx262OhaHDWDVOPjL46M=
github.com/yuin/gopher-lua v1.1.1/go.mod h1:GBR0iDaNXjAgGg9zfCvksxSRnQx76gclCIb7kdAd1Pw= github.com/yuin/gopher-lua v1.1.1/go.mod h1:GBR0iDaNXjAgGg9zfCvksxSRnQx76gclCIb7kdAd1Pw=
golang.org/x/exp v0.0.0-20231110203233-9a3e6036ecaa h1:FRnLl4eNAQl8hwxVVC17teOw8kdjVDVAiFMtgUdTSRQ= golang.org/x/exp v0.0.0-20260312153236-7ab1446f8b90 h1:jiDhWWeC7jfWqR9c/uplMOqJ0sbNlNWv0UkzE0vX1MA=
golang.org/x/exp v0.0.0-20231110203233-9a3e6036ecaa/go.mod h1:zk2irFbV9DP96SEBUUAy67IdHUaZuSnrz1n472HUCLE= golang.org/x/exp v0.0.0-20260312153236-7ab1446f8b90/go.mod h1:xE1HEv6b+1SCZ5/uscMRjUBKtIxworgEcEi+/n9NQDQ=
golang.org/x/net v0.35.0 h1:T5GQRQb2y08kTAByq9L4/bz8cipCdA8FbRTXewonqY8= golang.org/x/sys v0.42.0 h1:omrd2nAlyT5ESRdCLYdm3+fMfNFE/+Rf4bDIQImRJeo=
golang.org/x/net v0.35.0/go.mod h1:EglIi67kWsHKlRzzVMUD93VMSWGFOMSZgxFjparz1Qk= golang.org/x/sys v0.42.0/go.mod h1:4GL1E5IUh+htKOUEOaiffhrAeqysfVGipDYzABqnCmw=
golang.org/x/sys v0.0.0-20220715151400-c0bba94af5f8/go.mod h1:oPkhp1MJrh7nUepCBck5+mAzfO9JrbApNNgaTdGDITg= golang.org/x/term v0.41.0 h1:QCgPso/Q3RTJx2Th4bDLqML4W6iJiaXFq2/ftQF13YU=
golang.org/x/sys v0.0.0-20220811171246-fbc7d0a398ab/go.mod h1:oPkhp1MJrh7nUepCBck5+mAzfO9JrbApNNgaTdGDITg= golang.org/x/term v0.41.0/go.mod h1:3pfBgksrReYfZ5lvYM0kSO0LIkAl4Yl2bXOkKP7Ec2A=
golang.org/x/sys v0.6.0/go.mod h1:oPkhp1MJrh7nUepCBck5+mAzfO9JrbApNNgaTdGDITg= gonum.org/v1/gonum v0.17.0 h1:VbpOemQlsSMrYmn7T2OUvQ4dqxQXU+ouZFQsZOx50z4=
golang.org/x/sys v0.30.0 h1:QjkSwP/36a20jFYWkSue1YwXzLmsV5Gfq7Eiy72C1uc= gonum.org/v1/gonum v0.17.0/go.mod h1:El3tOrEuMpv2UdMrbNlKEh9vd86bmQ6vqIcDwxEOc1E=
golang.org/x/sys v0.30.0/go.mod h1:/VUhepiaJMQUp4+oa/7Zr1D23ma6VTLIYjOOTFZPUcA=
golang.org/x/term v0.6.0/go.mod h1:m6U89DPEgQRMq3DNkDClhWw02AUbt2daBVO4cn4Hv9U=
golang.org/x/term v0.29.0 h1:L6pJp37ocefwRRtYPKSWOWzOtWSxVajvz2ldH/xi3iU=
golang.org/x/term v0.29.0/go.mod h1:6bl4lRlvVuDgSf3179VpIxBF0o10JUpXWOnI7nErv7s=
gonum.org/v1/gonum v0.14.0 h1:2NiG67LD1tEH0D7kM+ps2V+fXmsAnpUeec7n8tcr4S0=
gonum.org/v1/gonum v0.14.0/go.mod h1:AoWeoz0becf9QMWtE8iWXNXc27fK4fNeHNf/oMejGfU=
gopkg.in/check.v1 v0.0.0-20161208181325-20d25e280405/go.mod h1:Co6ibVJAznAaIkqp8huTwlJQCZ016jof/cbN4VW5Yz0= gopkg.in/check.v1 v0.0.0-20161208181325-20d25e280405/go.mod h1:Co6ibVJAznAaIkqp8huTwlJQCZ016jof/cbN4VW5Yz0=
gopkg.in/check.v1 v1.0.0-20201130134442-10cb98267c6c h1:Hei/4ADfdWqJk1ZMxUNpqntNwaWcugrBjAiHlqqRiVk= gopkg.in/check.v1 v1.0.0-20201130134442-10cb98267c6c h1:Hei/4ADfdWqJk1ZMxUNpqntNwaWcugrBjAiHlqqRiVk=
gopkg.in/check.v1 v1.0.0-20201130134442-10cb98267c6c/go.mod h1:JHkPIbrfpd72SG/EVd6muEfDQjcINNoR0C8j2r3qZ4Q= gopkg.in/check.v1 v1.0.0-20201130134442-10cb98267c6c/go.mod h1:JHkPIbrfpd72SG/EVd6muEfDQjcINNoR0C8j2r3qZ4Q=
gopkg.in/yaml.v3 v3.0.0-20200313102051-9f266ea9e77c/go.mod h1:K4uyk7z7BCEPqu6E+C64Yfv1cQ7kz7rIZviUmN+EgEM=
gopkg.in/yaml.v3 v3.0.1 h1:fxVm/GzAzEWqLHuvctI91KS9hhNmmWOoWu0XTYJS7CA= gopkg.in/yaml.v3 v3.0.1 h1:fxVm/GzAzEWqLHuvctI91KS9hhNmmWOoWu0XTYJS7CA=
gopkg.in/yaml.v3 v3.0.1/go.mod h1:K4uyk7z7BCEPqu6E+C64Yfv1cQ7kz7rIZviUmN+EgEM= gopkg.in/yaml.v3 v3.0.1/go.mod h1:K4uyk7z7BCEPqu6E+C64Yfv1cQ7kz7rIZviUmN+EgEM=
scientificgo.org/special v0.0.0 h1:P6WJkECo6tgtvZAEfNXl+KEB9ReAatjKAeX8U07mjSc= scientificgo.org/special v0.0.0 h1:P6WJkECo6tgtvZAEfNXl+KEB9ReAatjKAeX8U07mjSc=

View File

@@ -1,5 +1,3 @@
go 1.23.4 go 1.26.1
toolchain go1.24.2
use . use .

View File

@@ -52,6 +52,8 @@ golang.org/x/image v0.6.0/go.mod h1:MXLdDR43H7cDJq5GEGXEVeeNhPgi+YYEQ2pC1byI1x0=
golang.org/x/mod v0.13.0 h1:I/DsJXRlw/8l/0c24sM9yb0T4z9liZTduXvdAWYiysY= golang.org/x/mod v0.13.0 h1:I/DsJXRlw/8l/0c24sM9yb0T4z9liZTduXvdAWYiysY=
golang.org/x/mod v0.13.0/go.mod h1:hTbmBsO62+eylJbnUtE2MGJUyE7QWk4xUqPFrRgJ+7c= golang.org/x/mod v0.13.0/go.mod h1:hTbmBsO62+eylJbnUtE2MGJUyE7QWk4xUqPFrRgJ+7c=
golang.org/x/mod v0.14.0/go.mod h1:hTbmBsO62+eylJbnUtE2MGJUyE7QWk4xUqPFrRgJ+7c= golang.org/x/mod v0.14.0/go.mod h1:hTbmBsO62+eylJbnUtE2MGJUyE7QWk4xUqPFrRgJ+7c=
golang.org/x/net v0.38.0/go.mod h1:ivrbrMbzFq5J41QOQh0siUuly180yBYtLp+CKbEaFx8=
golang.org/x/net v0.52.0/go.mod h1:R1MAz7uMZxVMualyPXb+VaqGSa3LIaUqk0eEt3w36Sw=
golang.org/x/sync v0.0.0-20220722155255-886fb9371eb4 h1:uVc8UZUe6tr40fFVnUP5Oj+veunVezqYl9z7DYw9xzw= golang.org/x/sync v0.0.0-20220722155255-886fb9371eb4 h1:uVc8UZUe6tr40fFVnUP5Oj+veunVezqYl9z7DYw9xzw=
golang.org/x/text v0.13.0 h1:ablQoSUd0tRdKxZewP80B+BaqeKJuVhuRxj/dkrun3k= golang.org/x/text v0.13.0 h1:ablQoSUd0tRdKxZewP80B+BaqeKJuVhuRxj/dkrun3k=
golang.org/x/text v0.13.0/go.mod h1:TvPlkZtksWOMsz7fbANvkp4WM8x/WCo/om8BMLbz+aE= golang.org/x/text v0.13.0/go.mod h1:TvPlkZtksWOMsz7fbANvkp4WM8x/WCo/om8BMLbz+aE=

View File

@@ -1,27 +1,58 @@
#!/bin/bash #!/bin/bash
INSTALL_DIR="/usr/local" # Default values
OBITOOLS_PREFIX=""
# default values
URL="https://go.dev/dl/" URL="https://go.dev/dl/"
OBIURL4="https://github.com/metabarcoding/obitools4/archive/refs/heads/master.zip" GITHUB_REPO="https://github.com/metabarcoding/obitools4"
INSTALL_DIR="/usr/local" INSTALL_DIR="/usr/local"
OBITOOLS_PREFIX="" OBITOOLS_PREFIX=""
VERSION=""
LIST_VERSIONS=false
JOBS=1
# help message # Help message
function display_help { function display_help {
echo "Usage: $0 [OPTIONS]" echo "Usage: $0 [OPTIONS]"
echo "" echo ""
echo "Options:" echo "Options:"
echo " -i, --install-dir Directory where obitools are installed " echo " -i, --install-dir Directory where obitools are installed "
echo " (as example use /usr/local not /usr/local/bin)." echo " (e.g., use /usr/local not /usr/local/bin)."
echo " -p, --obitools-prefix Prefix added to the obitools command names if you" echo " -p, --obitools-prefix Prefix added to the obitools command names if you"
echo " want to have several versions of obitools at the" echo " want to have several versions of obitools at the"
echo " same time on your system (as example -p g will produce " echo " same time on your system (e.g., -p g will produce "
echo " gobigrep command instead of obigrep)." echo " gobigrep command instead of obigrep)."
echo " -v, --version Install a specific version (e.g., 4.4.8)."
echo " If not specified, installs the latest version."
echo " -j, --jobs Number of parallel jobs for compilation (default: 1)."
echo " -l, --list List all available versions and exit."
echo " -h, --help Display this help message." echo " -h, --help Display this help message."
echo ""
echo "Examples:"
echo " $0 # Install latest version"
echo " $0 -l # List available versions"
echo " $0 -v 4.4.8 # Install specific version"
echo " $0 -i /opt/local # Install to custom directory"
} }
# List available versions from GitHub releases
function list_versions {
echo "Fetching available versions..." 1>&2
echo ""
curl -s "https://api.github.com/repos/metabarcoding/obitools4/releases" \
| grep '"tag_name":' \
| sed -E 's/.*"tag_name": "Release_([0-9.]+)".*/\1/' \
| sort -V -r
}
# Get latest version from GitHub releases
function get_latest_version {
curl -s "https://api.github.com/repos/metabarcoding/obitools4/releases" \
| grep '"tag_name":' \
| sed -E 's/.*"tag_name": "Release_([0-9.]+)".*/\1/' \
| sort -V -r \
| head -1
}
# Parse command line arguments
while [ "$#" -gt 0 ]; do while [ "$#" -gt 0 ]; do
case "$1" in case "$1" in
-i|--install-dir) -i|--install-dir)
@@ -32,67 +63,114 @@ while [ "$#" -gt 0 ]; do
OBITOOLS_PREFIX="$2" OBITOOLS_PREFIX="$2"
shift 2 shift 2
;; ;;
-v|--version)
VERSION="$2"
shift 2
;;
-j|--jobs)
JOBS="$2"
shift 2
;;
-l|--list)
LIST_VERSIONS=true
shift
;;
-h|--help) -h|--help)
display_help 1>&2 display_help
exit 0 exit 0
;; ;;
*) *)
echo "Error: Unsupported option $1" 1>&2 echo "Error: Unsupported option $1" 1>&2
display_help 1>&2
exit 1 exit 1
;; ;;
esac esac
done done
# the directory from where the script is run # List versions and exit if requested
if [ "$LIST_VERSIONS" = true ]; then
echo "Available OBITools4 versions:"
echo "=============================="
list_versions
exit 0
fi
# Determine version to install
if [ -z "$VERSION" ]; then
echo "Fetching latest version..." 1>&2
VERSION=$(get_latest_version)
if [ -z "$VERSION" ]; then
echo "Error: Could not determine latest version" 1>&2
exit 1
fi
echo "Latest version: $VERSION" 1>&2
else
echo "Installing version: $VERSION" 1>&2
fi
# Construct source URL for the specified version
OBIURL4="${GITHUB_REPO}/archive/refs/tags/Release_${VERSION}.zip"
# The directory from where the script is run
DIR="$(pwd)" DIR="$(pwd)"
# the temp directory used, within $DIR # Create temporary directory
# omit the -p parameter to create a temporal directory in the default location
# WORK_DIR=$(mktemp -d -p "$DIR" "obitools4.XXXXXX" 2> /dev/null || \
# mktemp -d -t "$DIR" "obitools4.XXXXXX")
WORK_DIR=$(mktemp -d "obitools4.XXXXXX") WORK_DIR=$(mktemp -d "obitools4.XXXXXX")
# check if tmp dir was created # Check if tmp dir was created
if [[ ! "$WORK_DIR" || ! -d "$WORK_DIR" ]]; then if [[ ! "$WORK_DIR" || ! -d "$WORK_DIR" ]]; then
echo "Could not create temp dir" 1>&2 echo "Could not create temp dir" 1>&2
exit 1 exit 1
fi fi
mkdir -p "${WORK_DIR}/cache" \ mkdir -p "${WORK_DIR}/cache" \
|| (echo "Cannot create ${WORK_DIR}/cache directory" 1>&2 || (echo "Cannot create ${WORK_DIR}/cache directory" 1>&2
exit 1) exit 1)
mkdir -p "${INSTALL_DIR}/bin" 2> /dev/null \ # Create installation directory
|| (echo "Please enter your password for installing obitools in ${INSTALL_DIR}" 1>&2 if ! mkdir -p "${INSTALL_DIR}/bin" 2>/dev/null; then
sudo mkdir -p "${INSTALL_DIR}/bin") if [ ! -w "$(dirname "${INSTALL_DIR}")" ] && [ ! -w "${INSTALL_DIR}" ]; then
echo "Please enter your password for installing obitools in ${INSTALL_DIR}" 1>&2
sudo mkdir -p "${INSTALL_DIR}/bin"
else
echo "Error: Could not create ${INSTALL_DIR}/bin (check path or disk space)" 1>&2
exit 1
fi
fi
if [[ ! -d "${INSTALL_DIR}/bin" ]]; then if [[ ! -d "${INSTALL_DIR}/bin" ]]; then
echo "Could not create ${INSTALL_DIR}/bin directory for installing obitools" 1>&2 echo "Could not create ${INSTALL_DIR}/bin directory for installing obitools" 1>&2
exit 1 exit 1
fi fi
INSTALL_DIR="$(cd ${INSTALL_DIR} && pwd)" INSTALL_DIR="$(cd ${INSTALL_DIR} && pwd)"
echo "WORK_DIR=$WORK_DIR" 1>&2 echo "================================" 1>&2
echo "INSTALL_DIR=$INSTALL_DIR" 1>&2 echo "OBITools4 Installation" 1>&2
echo "OBITOOLS_PREFIX=$OBITOOLS_PREFIX" 1>&2 echo "================================" 1>&2
echo "VERSION=$VERSION" 1>&2
echo "WORK_DIR=$WORK_DIR" 1>&2
echo "INSTALL_DIR=$INSTALL_DIR" 1>&2
echo "OBITOOLS_PREFIX=$OBITOOLS_PREFIX" 1>&2
echo "================================" 1>&2
pushd "$WORK_DIR"|| exit pushd "$WORK_DIR" > /dev/null || exit
# Detect OS and architecture
OS=$(uname -a | awk '{print $1}') OS=$(uname -a | awk '{print $1}')
ARCH=$(uname -m) ARCH=$(uname -m)
if [[ "$ARCH" == "x86_64" ]] ; then if [[ "$ARCH" == "x86_64" ]] ; then
ARCH="amd64" ARCH="amd64"
fi fi
if [[ "$ARCH" == "aarch64" ]] ; then if [[ "$ARCH" == "aarch64" ]] ; then
ARCH="arm64" ARCH="arm64"
fi fi
GOFILE=$(curl "$URL" \ # Download and install Go
echo "Downloading Go..." 1>&2
GOFILE=$(curl -s "$URL" \
| grep 'class="download"' \ | grep 'class="download"' \
| grep "\.tar\.gz" \ | grep "\.tar\.gz" \
| sed -E 's@^.*/dl/(go[1-9].+\.tar\.gz)".*$@\1@' \ | sed -E 's@^.*/dl/(go[1-9].+\.tar\.gz)".*$@\1@' \
@@ -100,44 +178,86 @@ GOFILE=$(curl "$URL" \
| grep -i "$ARCH" \ | grep -i "$ARCH" \
| head -1) | head -1)
GOURL=$(curl "${URL}${GOFILE}" \ GOURL=$(curl -s "${URL}${GOFILE}" \
| sed -E 's@^.*href="(.*\.tar\.gz)".*$@\1@') | sed -E 's@^.*href="(.*\.tar\.gz)".*$@\1@')
echo "Install GO from : $GOURL" 1>&2 echo "Installing Go from: $GOURL" 1>&2
curl "$GOURL" \
| tar zxf -
PATH="$(pwd)/go/bin:$PATH" curl --progress-bar "$GOURL" | tar zxf -
export GOROOT="$(pwd)/go"
PATH="${GOROOT}/bin:$PATH"
export PATH export PATH
GOPATH="$(pwd)/go" export GOPATH="$(pwd)/gopath"
export GOPATH
export GOCACHE="$(pwd)/cache" export GOCACHE="$(pwd)/cache"
echo "GOCACHE=$GOCACHE" 1>&2@ export GOTOOLCHAIN=local
mkdir -p "$GOCACHE"
echo "GOROOT=$GOROOT" 1>&2
echo "GOCACHE=$GOCACHE" 1>&2
mkdir -p "$GOPATH" "$GOCACHE"
curl -L "$OBIURL4" > master.zip # Download OBITools4 source
unzip master.zip echo "Downloading OBITools4 v${VERSION}..." 1>&2
echo "Source URL: $OBIURL4" 1>&2
echo "Install OBITOOLS from : $OBIURL4" if ! curl --progress-bar -L "$OBIURL4" > obitools4.zip; then
echo "Error: Could not download OBITools4 version ${VERSION}" 1>&2
cd obitools4-master || exit echo "Please check that this version exists with: $0 --list" 1>&2
mkdir vendor exit 1
if [[ -z "$OBITOOLS_PREFIX" ]] ; then
make GOFLAGS="-buildvcs=false"
else
make GOFLAGS="-buildvcs=false" OBITOOLS_PREFIX="${OBITOOLS_PREFIX}"
fi fi
(cp build/* "${INSTALL_DIR}/bin" 2> /dev/null) \ unzip -q obitools4.zip
|| (echo "Please enter your password for installing obitools in ${INSTALL_DIR}"
sudo cp build/* "${INSTALL_DIR}/bin")
popd || exit # Find the extracted directory
OBITOOLS_DIR=$(ls -d obitools4-* 2>/dev/null | head -1)
if [ -z "$OBITOOLS_DIR" ] || [ ! -d "$OBITOOLS_DIR" ]; then
echo "Error: Could not find extracted OBITools4 directory" 1>&2
exit 1
fi
echo "Building OBITools4..." 1>&2
cd "$OBITOOLS_DIR" || exit
mkdir -p vendor
# Build with or without prefix
if [[ -z "$OBITOOLS_PREFIX" ]] ; then
make -j"${JOBS}" obitools GOFLAGS="-buildvcs=false"
else
make -j"${JOBS}" obitools GOFLAGS="-buildvcs=false" OBITOOLS_PREFIX="${OBITOOLS_PREFIX}"
fi
# Install binaries
echo "Installing binaries to ${INSTALL_DIR}/bin..." 1>&2
if ! cp build/* "${INSTALL_DIR}/bin" 2>/dev/null; then
if [ ! -w "${INSTALL_DIR}/bin" ]; then
echo "Please enter your password for installing obitools in ${INSTALL_DIR}" 1>&2
sudo cp build/* "${INSTALL_DIR}/bin"
else
echo "Error: Could not copy binaries to ${INSTALL_DIR}/bin" 1>&2
echo " Source files: $(ls build/ 2>/dev/null || echo 'none found')" 1>&2
echo "" 1>&2
echo "The build directory has been preserved for manual recovery:" 1>&2
echo " $(pwd)/build/" 1>&2
echo "You can install manually with:" 1>&2
echo " cp $(pwd)/build/* ${INSTALL_DIR}/bin/" 1>&2
popd > /dev/null || true
exit 1
fi
fi
popd > /dev/null || exit
# Cleanup
echo "Cleaning up..." 1>&2
chmod -R +w "$WORK_DIR" chmod -R +w "$WORK_DIR"
rm -rf "$WORK_DIR" rm -rf "$WORK_DIR"
echo "" 1>&2
echo "================================" 1>&2
echo "OBITools4 v${VERSION} installed successfully!" 1>&2
echo "Binaries location: ${INSTALL_DIR}/bin" 1>&2
if [[ -n "$OBITOOLS_PREFIX" ]] ; then
echo "Command prefix: ${OBITOOLS_PREFIX}" 1>&2
fi
echo "================================" 1>&2

View File

@@ -1,292 +0,0 @@
# Filtre de Fréquence avec v Niveaux de Roaring Bitmaps
## Algorithme
```go
Pour chaque k-mer rencontré dans les données:
c = 0
tant que (k-mer index[c] ET c < v):
c++
si c < v:
index[c].insert(k-mer)
```
**Résultat** : `index[v-1]` contient les k-mers vus **≥ v fois**
---
## Exemple d'exécution (v=3)
```
Données:
Read1: kmer X
Read2: kmer X
Read3: kmer X (X vu 3 fois)
Read4: kmer Y
Read5: kmer Y (Y vu 2 fois)
Read6: kmer Z (Z vu 1 fois)
Exécution:
Read1 (X):
c=0: X ∉ index[0] → index[0].add(X)
État: index[0]={X}, index[1]={}, index[2]={}
Read2 (X):
c=0: X ∈ index[0] → c=1
c=1: X ∉ index[1] → index[1].add(X)
État: index[0]={X}, index[1]={X}, index[2]={}
Read3 (X):
c=0: X ∈ index[0] → c=1
c=1: X ∈ index[1] → c=2
c=2: X ∉ index[2] → index[2].add(X)
État: index[0]={X}, index[1]={X}, index[2]={X}
Read4 (Y):
c=0: Y ∉ index[0] → index[0].add(Y)
État: index[0]={X,Y}, index[1]={X}, index[2]={X}
Read5 (Y):
c=0: Y ∈ index[0] → c=1
c=1: Y ∉ index[1] → index[1].add(Y)
État: index[0]={X,Y}, index[1]={X,Y}, index[2]={X}
Read6 (Z):
c=0: Z ∉ index[0] → index[0].add(Z)
État: index[0]={X,Y,Z}, index[1]={X,Y}, index[2]={X}
Résultat final:
index[0] (freq≥1): {X, Y, Z}
index[1] (freq≥2): {X, Y}
index[2] (freq≥3): {X} ← K-mers filtrés ✓
```
---
## Utilisation
```go
// Créer le filtre
filter := obikmer.NewFrequencyFilter(31, 3) // k=31, minFreq=3
// Ajouter les séquences
for _, read := range reads {
filter.AddSequence(read)
}
// Récupérer les k-mers filtrés (freq ≥ 3)
filtered := filter.GetFilteredSet("filtered")
fmt.Printf("K-mers de qualité: %d\n", filtered.Cardinality())
// Statistiques
stats := filter.Stats()
fmt.Println(stats.String())
```
---
## Performance
### Complexité
**Par k-mer** :
- Lookups : Moyenne ~v/2, pire cas v
- Insertions : 1 Add
- **Pas de Remove** ✅
**Total pour n k-mers** :
- Temps : O(n × v/2)
- Mémoire : O(unique_kmers × v × 2 bytes)
### Early exit pour distribution skewed
Avec distribution typique (séquençage) :
```
80% singletons → 1 lookup (early exit)
15% freq 2-3 → 2-3 lookups
5% freq ≥4 → jusqu'à v lookups
Moyenne réelle : ~2 lookups/kmer (au lieu de v/2)
```
---
## Mémoire
### Pour 10^8 k-mers uniques
| v (minFreq) | Nombre bitmaps | Mémoire | vs map simple |
|-------------|----------------|---------|---------------|
| v=2 | 2 | ~400 MB | 6x moins |
| v=3 | 3 | ~600 MB | 4x moins |
| v=5 | 5 | ~1 GB | 2.4x moins |
| v=10 | 10 | ~2 GB | 1.2x moins |
| v=20 | 20 | ~4 GB | ~égal |
**Note** : Avec distribution skewed (beaucoup de singletons), la mémoire réelle est bien plus faible car les niveaux hauts ont peu d'éléments.
### Exemple réaliste (séquençage)
Pour 10^8 k-mers totaux, v=3 :
```
Distribution:
80% singletons → 80M dans index[0]
15% freq 2-3 → 15M dans index[1]
5% freq ≥3 → 5M dans index[2]
Mémoire:
index[0]: 80M × 2 bytes = 160 MB
index[1]: 15M × 2 bytes = 30 MB
index[2]: 5M × 2 bytes = 10 MB
Total: ~200 MB ✅
vs map simple: 80M × 24 bytes = ~2 GB
Réduction: 10x
```
---
## Comparaison des approches
| Approche | Mémoire (10^8 kmers) | Passes | Lookups/kmer | Quand utiliser |
|----------|----------------------|--------|--------------|----------------|
| **v-Bitmaps** | **200-600 MB** | **1** | **~2 (avg)** | **Standard** ✅ |
| Map simple | 2.4 GB | 1 | 1 | Si RAM illimitée |
| Multi-pass | 400 MB | v | v | Si I/O pas cher |
---
## Avantages de v-Bitmaps
**Une seule passe** sur les données
**Mémoire optimale** avec Roaring bitmaps
**Pas de Remove** (seulement Contains + Add)
**Early exit** efficace sur singletons
**Scalable** jusqu'à v~10-20
**Simple** à implémenter et comprendre
---
## Cas d'usage typiques
### 1. Éliminer erreurs de séquençage
```go
filter := obikmer.NewFrequencyFilter(31, 3)
// Traiter FASTQ
for read := range StreamFastq("sample.fastq") {
filter.AddSequence(read)
}
// K-mers de qualité (pas d'erreurs)
cleaned := filter.GetFilteredSet("cleaned")
```
**Résultat** : Élimine 70-80% des k-mers (erreurs)
### 2. Assemblage de génome
```go
filter := obikmer.NewFrequencyFilter(31, 2)
// Filtrer avant l'assemblage
for read := range reads {
filter.AddSequence(read)
}
solidKmers := filter.GetFilteredSet("solid")
// Utiliser solidKmers pour le graphe de Bruijn
```
### 3. Comparaison de génomes
```go
collection := obikmer.NewKmerSetCollection(31)
for _, genome := range genomes {
filter := obikmer.NewFrequencyFilter(31, 3)
filter.AddSequences(genome.Reads)
cleaned := filter.GetFilteredSet(genome.ID)
collection.Add(cleaned)
}
// Analyses comparatives sur k-mers de qualité
matrix := collection.ParallelPairwiseJaccard(8)
```
---
## Limites
**Pour v > 20** :
- Trop de lookups (v lookups/kmer)
- Mémoire importante (v × 200MB pour 10^8 kmers)
**Solutions alternatives pour v > 20** :
- Utiliser map simple (9 bytes/kmer) si RAM disponible
- Algorithme différent (sketch, probabiliste)
---
## Optimisations possibles
### 1. Parallélisation
```go
// Traiter plusieurs fichiers en parallèle
filters := make([]*FrequencyFilter, numFiles)
var wg sync.WaitGroup
for i, file := range files {
wg.Add(1)
go func(idx int, f string) {
defer wg.Done()
filters[idx] = ProcessFile(f, k, minFreq)
}(i, file)
}
wg.Wait()
// Merger les résultats
merged := MergeFilters(filters)
```
### 2. Streaming avec seuil adaptatif
```go
// Commencer avec v=5, réduire progressivement
filter := obikmer.NewFrequencyFilter(31, 5)
// ... traitement ...
// Si trop de mémoire, réduire à v=3
if filter.MemoryUsage() > threshold {
filter = ConvertToLowerThreshold(filter, 3)
}
```
---
## Récapitulatif final
**Pour filtrer les k-mers par fréquence ≥ v :**
1. **Créer** : `filter := NewFrequencyFilter(k, v)`
2. **Traiter** : `filter.AddSequence(read)` pour chaque read
3. **Résultat** : `filtered := filter.GetFilteredSet(id)`
**Mémoire** : ~2v MB par million de k-mers uniques
**Temps** : Une seule passe, ~2 lookups/kmer en moyenne
**Optimal pour** : v ≤ 20, distribution skewed (séquençage)
---
## Code fourni
1. **frequency_filter.go** - Implémentation complète
2. **examples_frequency_filter_final.go** - Exemples d'utilisation
**Tout est prêt à utiliser !** 🚀

View File

@@ -1,320 +0,0 @@
package main
import (
"fmt"
"obikmer"
)
func main() {
// ==========================================
// EXEMPLE 1 : Utilisation basique
// ==========================================
fmt.Println("=== EXEMPLE 1 : Utilisation basique ===\n")
k := 31
minFreq := 3 // Garder les k-mers vus ≥3 fois
// Créer le filtre
filter := obikmer.NewFrequencyFilter(k, minFreq)
// Simuler des séquences avec différentes fréquences
sequences := [][]byte{
[]byte("ACGTACGTACGTACGTACGTACGTACGTACG"), // Kmer X
[]byte("ACGTACGTACGTACGTACGTACGTACGTACG"), // Kmer X (freq=2)
[]byte("ACGTACGTACGTACGTACGTACGTACGTACG"), // Kmer X (freq=3) ✓
[]byte("TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT"), // Kmer Y
[]byte("TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT"), // Kmer Y (freq=2) ✗
[]byte("GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG"), // Kmer Z (freq=1) ✗
}
fmt.Printf("Traitement de %d séquences...\n", len(sequences))
for _, seq := range sequences {
filter.AddSequence(seq)
}
// Récupérer les k-mers filtrés
filtered := filter.GetFilteredSet("filtered")
fmt.Printf("\nK-mers avec freq ≥ %d: %d\n", minFreq, filtered.Cardinality())
// Statistiques
stats := filter.Stats()
fmt.Println("\n" + stats.String())
// ==========================================
// EXEMPLE 2 : Vérifier les niveaux
// ==========================================
fmt.Println("\n=== EXEMPLE 2 : Inspection des niveaux ===\n")
// Vérifier chaque niveau
for level := 0; level < minFreq; level++ {
levelSet := filter.GetKmersAtLevel(level)
fmt.Printf("Niveau %d (freq≥%d): %d k-mers\n",
level+1, level+1, levelSet.Cardinality())
}
// ==========================================
// EXEMPLE 3 : Données réalistes
// ==========================================
fmt.Println("\n=== EXEMPLE 3 : Simulation données séquençage ===\n")
filter2 := obikmer.NewFrequencyFilter(31, 3)
// Simuler un dataset réaliste :
// - 1000 reads
// - 80% contiennent des erreurs (singletons)
// - 15% vrais k-mers à basse fréquence
// - 5% vrais k-mers à haute fréquence
// Vraie séquence répétée
trueSeq := []byte("ACGTACGTACGTACGTACGTACGTACGTACG")
for i := 0; i < 50; i++ {
filter2.AddSequence(trueSeq)
}
// Séquence à fréquence moyenne
mediumSeq := []byte("CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC")
for i := 0; i < 5; i++ {
filter2.AddSequence(mediumSeq)
}
// Erreurs de séquençage (singletons)
for i := 0; i < 100; i++ {
errorSeq := []byte(fmt.Sprintf("TTTTTTTTTTTTTTTTTTTTTTTTTTTT%03d", i))
filter2.AddSequence(errorSeq)
}
stats2 := filter2.Stats()
fmt.Println(stats2.String())
fmt.Println("Distribution attendue:")
fmt.Println(" - Beaucoup de singletons (erreurs)")
fmt.Println(" - Peu de k-mers à haute fréquence (signal)")
fmt.Println(" → Filtrage efficace !")
// ==========================================
// EXEMPLE 4 : Tester différents seuils
// ==========================================
fmt.Println("\n=== EXEMPLE 4 : Comparaison de seuils ===\n")
testSeqs := [][]byte{
[]byte("ACGTACGTACGTACGTACGTACGTACGTACG"),
[]byte("ACGTACGTACGTACGTACGTACGTACGTACG"),
[]byte("ACGTACGTACGTACGTACGTACGTACGTACG"),
[]byte("ACGTACGTACGTACGTACGTACGTACGTACG"),
[]byte("ACGTACGTACGTACGTACGTACGTACGTACG"), // freq=5
[]byte("TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT"),
[]byte("TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT"),
[]byte("TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT"), // freq=3
[]byte("GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG"), // freq=1
}
for _, minFreq := range []int{2, 3, 5} {
f := obikmer.NewFrequencyFilter(31, minFreq)
f.AddSequences(testSeqs)
fmt.Printf("minFreq=%d: %d k-mers retenus (%.2f MB)\n",
minFreq,
f.Cardinality(),
float64(f.MemoryUsage())/1024/1024)
}
// ==========================================
// EXEMPLE 5 : Comparaison mémoire
// ==========================================
fmt.Println("\n=== EXEMPLE 5 : Comparaison mémoire ===\n")
filter3 := obikmer.NewFrequencyFilter(31, 3)
// Simuler 10000 séquences
for i := 0; i < 10000; i++ {
seq := make([]byte, 100)
for j := range seq {
seq[j] = "ACGT"[(i+j)%4]
}
filter3.AddSequence(seq)
}
fmt.Println(filter3.CompareWithSimpleMap())
// ==========================================
// EXEMPLE 6 : Workflow complet
// ==========================================
fmt.Println("\n=== EXEMPLE 6 : Workflow complet ===\n")
fmt.Println("1. Créer le filtre")
finalFilter := obikmer.NewFrequencyFilter(31, 3)
fmt.Println("2. Traiter les données (simulation)")
// En pratique : lire depuis FASTQ
// for read := range ReadFastq("data.fastq") {
// finalFilter.AddSequence(read)
// }
// Simulation
for i := 0; i < 1000; i++ {
seq := []byte("ACGTACGTACGTACGTACGTACGTACGTACG")
finalFilter.AddSequence(seq)
}
fmt.Println("3. Récupérer les k-mers filtrés")
result := finalFilter.GetFilteredSet("final")
fmt.Println("4. Utiliser le résultat")
fmt.Printf(" K-mers de qualité: %d\n", result.Cardinality())
fmt.Printf(" Mémoire utilisée: %.2f MB\n", float64(finalFilter.MemoryUsage())/1024/1024)
fmt.Println("5. Sauvegarder (optionnel)")
// result.Save("filtered_kmers.bin")
// ==========================================
// EXEMPLE 7 : Vérification individuelle
// ==========================================
fmt.Println("\n=== EXEMPLE 7 : Vérification de k-mers spécifiques ===\n")
checkFilter := obikmer.NewFrequencyFilter(31, 3)
testSeq := []byte("ACGTACGTACGTACGTACGTACGTACGTACG")
for i := 0; i < 5; i++ {
checkFilter.AddSequence(testSeq)
}
var kmers []uint64
kmers = obikmer.EncodeKmers(testSeq, 31, &kmers)
if len(kmers) > 0 {
testKmer := kmers[0]
fmt.Printf("K-mer test: 0x%016X\n", testKmer)
fmt.Printf(" Présent dans filtre: %v\n", checkFilter.Contains(testKmer))
fmt.Printf(" Fréquence approx: %d\n", checkFilter.GetFrequency(testKmer))
}
// ==========================================
// EXEMPLE 8 : Intégration avec collection
// ==========================================
fmt.Println("\n=== EXEMPLE 8 : Intégration avec KmerSetCollection ===\n")
// Créer une collection de génomes filtrés
collection := obikmer.NewKmerSetCollection(31)
genomes := map[string][][]byte{
"Genome1": {
[]byte("ACGTACGTACGTACGTACGTACGTACGTACG"),
[]byte("ACGTACGTACGTACGTACGTACGTACGTACG"),
[]byte("ACGTACGTACGTACGTACGTACGTACGTACG"),
[]byte("TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT"), // Erreur
},
"Genome2": {
[]byte("ACGTACGTACGTACGTACGTACGTACGTACG"),
[]byte("ACGTACGTACGTACGTACGTACGTACGTACG"),
[]byte("ACGTACGTACGTACGTACGTACGTACGTACG"),
[]byte("GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG"), // Erreur
},
}
for id, sequences := range genomes {
// Filtrer chaque génome
genomeFilter := obikmer.NewFrequencyFilter(31, 3)
genomeFilter.AddSequences(sequences)
// Ajouter à la collection
filteredSet := genomeFilter.GetFilteredSet(id)
collection.Add(filteredSet)
fmt.Printf("%s: %d k-mers de qualité\n", id, filteredSet.Cardinality())
}
// Analyser la collection
fmt.Println("\nAnalyse comparative:")
collectionStats := collection.ComputeStats()
fmt.Printf(" Core genome: %d k-mers\n", collectionStats.CoreSize)
fmt.Printf(" Pan genome: %d k-mers\n", collectionStats.PanGenomeSize)
// ==========================================
// RÉSUMÉ
// ==========================================
fmt.Println("\n=== RÉSUMÉ ===\n")
fmt.Println("Le FrequencyFilter permet de:")
fmt.Println(" ✓ Filtrer les k-mers par fréquence minimale")
fmt.Println(" ✓ Utiliser une mémoire optimale avec Roaring bitmaps")
fmt.Println(" ✓ Une seule passe sur les données")
fmt.Println(" ✓ Éliminer efficacement les erreurs de séquençage")
fmt.Println("")
fmt.Println("Workflow typique:")
fmt.Println(" 1. filter := NewFrequencyFilter(k, minFreq)")
fmt.Println(" 2. for each sequence: filter.AddSequence(seq)")
fmt.Println(" 3. filtered := filter.GetFilteredSet(id)")
fmt.Println(" 4. Utiliser filtered dans vos analyses")
}
// ==================================
// FONCTION HELPER POUR BENCHMARKS
// ==================================
func BenchmarkFrequencyFilter() {
k := 31
minFreq := 3
// Test avec différentes tailles
sizes := []int{1000, 10000, 100000}
fmt.Println("\n=== BENCHMARK ===\n")
for _, size := range sizes {
filter := obikmer.NewFrequencyFilter(k, minFreq)
// Générer des séquences
for i := 0; i < size; i++ {
seq := make([]byte, 100)
for j := range seq {
seq[j] = "ACGT"[(i+j)%4]
}
filter.AddSequence(seq)
}
fmt.Printf("Size=%d reads:\n", size)
fmt.Printf(" Filtered k-mers: %d\n", filter.Cardinality())
fmt.Printf(" Memory: %.2f MB\n", float64(filter.MemoryUsage())/1024/1024)
fmt.Println()
}
}
// ==================================
// FONCTION POUR DONNÉES RÉELLES
// ==================================
func ProcessRealData() {
// Exemple pour traiter de vraies données FASTQ
k := 31
minFreq := 3
filter := obikmer.NewFrequencyFilter(k, minFreq)
// Pseudo-code pour lire un FASTQ
/*
fastqFile := "sample.fastq"
reader := NewFastqReader(fastqFile)
for reader.HasNext() {
read := reader.Next()
filter.AddSequence(read.Sequence)
}
// Récupérer le résultat
filtered := filter.GetFilteredSet("sample_filtered")
filtered.Save("sample_filtered_kmers.bin")
// Stats
stats := filter.Stats()
fmt.Println(stats.String())
*/
fmt.Println("Workflow pour données réelles:")
fmt.Println(" 1. Créer le filtre avec minFreq approprié (2-5 typique)")
fmt.Println(" 2. Stream les reads depuis FASTQ")
fmt.Println(" 3. Récupérer les k-mers filtrés")
fmt.Println(" 4. Utiliser pour assemblage/comparaison/etc.")
_ = filter // unused
}

View File

@@ -0,0 +1,148 @@
# Tests pour obisuperkmer
## Description
Ce répertoire contient les tests automatisés pour la commande `obisuperkmer`.
## Fichiers
- `test.sh` : Script de test principal (exécutable)
- `test_sequences.fasta` : Jeu de données de test minimal (3 séquences courtes)
- `README.md` : Ce fichier
## Jeu de données de test
Le fichier `test_sequences.fasta` contient 3 séquences de 32 nucléotides chacune :
1. **seq1** : Répétition du motif ACGT (séquence régulière)
2. **seq2** : Alternance de blocs homopolymères (AAAA, CCCC, GGGG, TTTT)
3. **seq3** : Répétition du motif ATCG (différent de seq1)
Ces séquences sont volontairement courtes pour :
- Minimiser la taille du dépôt Git
- Accélérer l'exécution des tests en CI/CD
- Tester différents cas d'extraction de super k-mers
## Tests effectués
Le script `test.sh` effectue 12 tests :
### Test 1 : Affichage de l'aide
Vérifie que `obisuperkmer -h` s'exécute correctement.
### Test 2 : Extraction basique avec paramètres par défaut
Exécute `obisuperkmer` avec k=21, m=11 (valeurs par défaut).
### Test 3 : Vérification du fichier de sortie non vide
S'assure que la commande produit une sortie.
### Test 4 : Comptage des super k-mers extraits
Vérifie qu'au moins un super k-mer a été extrait.
### Test 5 : Présence des métadonnées requises
Vérifie que chaque super k-mer contient :
- `minimizer_value`
- `minimizer_seq`
- `parent_id`
### Test 6 : Extraction avec paramètres personnalisés
Teste avec k=15 et m=7.
### Test 7 : Vérification des paramètres dans les métadonnées
S'assure que les valeurs k=15 et m=7 sont présentes dans la sortie.
### Test 8 : Format de sortie FASTA explicite
Teste l'option `--fasta-output`.
### Test 9 : Vérification des IDs des super k-mers
S'assure que tous les IDs contiennent "superkmer".
### Test 10 : Préservation des IDs parents
Vérifie que seq1, seq2 et seq3 apparaissent dans la sortie.
### Test 11 : Option -o pour fichier de sortie
Teste la redirection vers un fichier avec `-o`.
### Test 12 : Vérification de la création du fichier avec -o
S'assure que le fichier de sortie a été créé.
### Test 13 : Cohérence des longueurs
Vérifie que la somme des longueurs des super k-mers est inférieure ou égale à la longueur totale des séquences d'entrée.
## Exécution des tests
### Localement
```bash
cd /chemin/vers/obitools4/obitests/obitools/obisuperkmer
./test.sh
```
### En CI/CD
Les tests sont automatiquement exécutés lors de chaque commit via le système CI/CD configuré pour le projet.
### Prérequis
- La commande `obisuperkmer` doit être compilée et disponible dans `../../build/`
- Les dépendances système : bash, grep, etc.
## Structure du script de test
Le script suit le pattern standard utilisé par tous les tests OBITools :
1. **En-tête** : Définition du nom du test et de la commande
2. **Variables** : Configuration des chemins et compteurs
3. **Fonction cleanup()** : Affiche les résultats et nettoie le répertoire temporaire
4. **Fonction log()** : Affiche les messages horodatés
5. **Tests** : Série de tests avec incrémentation des compteurs
6. **Appel cleanup()** : Nettoyage et sortie avec code de retour approprié
## Format de sortie
Chaque test affiche :
```
[obisuperkmer @ date] message
```
En fin d'exécution :
```
========================================
## Results of the obisuperkmer tests:
- 12 tests run
- 12 successfully completed
- 0 failed tests
Cleaning up the temporary directory...
========================================
```
## Codes de retour
- **0** : Tous les tests ont réussi
- **1** : Au moins un test a échoué
## Ajout de nouveaux tests
Pour ajouter un nouveau test, suivre le pattern :
```bash
((ntest++))
if commande_test arguments
then
log "Description: OK"
((success++))
else
log "Description: failed"
((failed++))
fi
```
## Notes
- Les fichiers temporaires sont créés dans `$TMPDIR` (créé par mktemp)
- Les fichiers de données sont dans `$TEST_DIR`
- La commande testée doit être dans `$OBITOOLS_DIR` (../../build/)
- Le répertoire temporaire est automatiquement nettoyé à la fin

View File

@@ -0,0 +1,232 @@
#!/bin/bash
#
# Here give the name of the test serie
#
TEST_NAME=obik-super
CMD=obik
######
#
# Some variable and function definitions: please don't change them
#
######
TEST_DIR="$(dirname "$(readlink -f "${BASH_SOURCE[0]}")")"
OBITOOLS_DIR="${TEST_DIR/obitest*/}build"
export PATH="${OBITOOLS_DIR}:${PATH}"
MCMD="OBIk-super"
TMPDIR="$(mktemp -d)"
ntest=0
success=0
failed=0
cleanup() {
echo "========================================" 1>&2
echo "## Results of the $TEST_NAME tests:" 1>&2
echo 1>&2
echo "- $ntest tests run" 1>&2
echo "- $success successfully completed" 1>&2
echo "- $failed failed tests" 1>&2
echo 1>&2
echo "Cleaning up the temporary directory..." 1>&2
echo 1>&2
echo "========================================" 1>&2
rm -rf "$TMPDIR" # Suppress the temporary directory
if [ $failed -gt 0 ]; then
log "$TEST_NAME tests failed"
log
log
exit 1
fi
log
log
exit 0
}
log() {
echo -e "[$TEST_NAME @ $(date)] $*" 1>&2
}
log "Testing $TEST_NAME..."
log "Test directory is $TEST_DIR"
log "obitools directory is $OBITOOLS_DIR"
log "Temporary directory is $TMPDIR"
log "files: $(find $TEST_DIR | awk -F'/' '{print $NF}' | tail -n +2)"
######################################################################
####
#### Below are the tests
####
######################################################################
((ntest++))
if $CMD super -h > "${TMPDIR}/help.txt" 2>&1
then
log "$MCMD: printing help OK"
((success++))
else
log "$MCMD: printing help failed"
((failed++))
fi
# Test 1: Basic super k-mer extraction with default parameters
((ntest++))
if $CMD super "${TEST_DIR}/test_sequences.fasta" \
> "${TMPDIR}/output_default.fasta" 2>&1
then
log "$MCMD: basic extraction with default parameters OK"
((success++))
else
log "$MCMD: basic extraction with default parameters failed"
((failed++))
fi
# Test 2: Verify output is not empty
((ntest++))
if [ -s "${TMPDIR}/output_default.fasta" ]
then
log "$MCMD: output file is not empty OK"
((success++))
else
log "$MCMD: output file is empty - failed"
((failed++))
fi
# Test 3: Count number of super k-mers extracted (should be > 0)
((ntest++))
num_sequences=$(grep -c "^>" "${TMPDIR}/output_default.fasta")
if [ "$num_sequences" -gt 0 ]
then
log "$MCMD: extracted $num_sequences super k-mers OK"
((success++))
else
log "$MCMD: no super k-mers extracted - failed"
((failed++))
fi
# Test 4: Verify super k-mers have required metadata attributes
((ntest++))
if grep -q "minimizer_value" "${TMPDIR}/output_default.fasta" && \
grep -q "minimizer_seq" "${TMPDIR}/output_default.fasta" && \
grep -q "parent_id" "${TMPDIR}/output_default.fasta"
then
log "$MCMD: super k-mers contain required metadata OK"
((success++))
else
log "$MCMD: super k-mers missing metadata - failed"
((failed++))
fi
# Test 5: Extract super k-mers with custom k and m parameters
((ntest++))
if $CMD super -k 15 -m 7 "${TEST_DIR}/test_sequences.fasta" \
> "${TMPDIR}/output_k15_m7.fasta" 2>&1
then
log "$MCMD: extraction with custom k=15, m=7 OK"
((success++))
else
log "$MCMD: extraction with custom k=15, m=7 failed"
((failed++))
fi
# Test 6: Verify custom parameters in output metadata
((ntest++))
if grep -q '"k":15' "${TMPDIR}/output_k15_m7.fasta" && \
grep -q '"m":7' "${TMPDIR}/output_k15_m7.fasta"
then
log "$MCMD: custom parameters correctly set in metadata OK"
((success++))
else
log "$MCMD: custom parameters not in metadata - failed"
((failed++))
fi
# Test 7: Test with different output format (FASTA output explicitly)
((ntest++))
if $CMD super --fasta-output -k 21 -m 11 \
"${TEST_DIR}/test_sequences.fasta" \
> "${TMPDIR}/output_fasta.fasta" 2>&1
then
log "$MCMD: FASTA output format OK"
((success++))
else
log "$MCMD: FASTA output format failed"
((failed++))
fi
# Test 8: Verify all super k-mers have superkmer in their ID
((ntest++))
if grep "^>" "${TMPDIR}/output_default.fasta" | grep -q "superkmer"
then
log "$MCMD: super k-mer IDs contain 'superkmer' OK"
((success++))
else
log "$MCMD: super k-mer IDs missing 'superkmer' - failed"
((failed++))
fi
# Test 9: Verify parent sequence IDs are preserved
((ntest++))
if grep -q "seq1" "${TMPDIR}/output_default.fasta" && \
grep -q "seq2" "${TMPDIR}/output_default.fasta" && \
grep -q "seq3" "${TMPDIR}/output_default.fasta"
then
log "$MCMD: parent sequence IDs preserved OK"
((success++))
else
log "$MCMD: parent sequence IDs not preserved - failed"
((failed++))
fi
# Test 10: Test with output file option
((ntest++))
if $CMD super -o "${TMPDIR}/output_file.fasta" \
"${TEST_DIR}/test_sequences.fasta" 2>&1
then
log "$MCMD: output to file with -o option OK"
((success++))
else
log "$MCMD: output to file with -o option failed"
((failed++))
fi
# Test 11: Verify output file was created with -o option
((ntest++))
if [ -s "${TMPDIR}/output_file.fasta" ]
then
log "$MCMD: output file created with -o option OK"
((success++))
else
log "$MCMD: output file not created with -o option - failed"
((failed++))
fi
# Test 12: Verify each super k-mer length is >= k (default k=31)
((ntest++))
min_len=$(grep -v "^>" "${TMPDIR}/output_default.fasta" | awk '{print length}' | sort -n | head -1)
if [ "$min_len" -ge 31 ]
then
log "$MCMD: all super k-mers have length >= k OK"
((success++))
else
log "$MCMD: some super k-mers shorter than k ($min_len < 31) - failed"
((failed++))
fi
#########################################
#
# At the end of the tests
# the cleanup function is called
#
#########################################
cleanup

View File

@@ -0,0 +1,6 @@
>seq1
ACGTACGTACGTACGTACGTACGTACGTACGT
>seq2
AAAACCCCGGGGTTTTAAAACCCCGGGGTTTT
>seq3
ATCGATCGATCGATCGATCGATCGATCGATCG

View File

@@ -39,7 +39,7 @@ cleanup() {
rm -rf "$TMPDIR" # Suppress the temporary directory rm -rf "$TMPDIR" # Suppress the temporary directory
if [ $failed -gt 0 ]; then if [ $failed -gt 0 ]; then
log "$TEST_NAME tests failed" log "$TEST_NAME tests failed"
log log
log log
exit 1 exit 1
@@ -55,10 +55,10 @@ log() {
echo -e "[$TEST_NAME @ $(date)] $*" 1>&2 echo -e "[$TEST_NAME @ $(date)] $*" 1>&2
} }
log "Testing $TEST_NAME..." log "Testing $TEST_NAME..."
log "Test directory is $TEST_DIR" log "Test directory is $TEST_DIR"
log "obitools directory is $OBITOOLS_DIR" log "obitools directory is $OBITOOLS_DIR"
log "Temporary directory is $TMPDIR" log "Temporary directory is $TMPDIR"
log "files: $(find $TEST_DIR | awk -F'/' '{print $NF}' | tail -n +2)" log "files: $(find $TEST_DIR | awk -F'/' '{print $NF}' | tail -n +2)"
###################################################################### ######################################################################
@@ -89,12 +89,12 @@ log "files: $(find $TEST_DIR | awk -F'/' '{print $NF}' | tail -n +2)"
((ntest++)) ((ntest++))
if $CMD -h > "${TMPDIR}/help.txt" 2>&1 if $CMD -h > "${TMPDIR}/help.txt" 2>&1
then then
log "$MCMD: printing help OK" log "$MCMD: printing help OK"
((success++)) ((success++))
else else
log "$MCMD: printing help failed" log "$MCMD: printing help failed"
((failed++)) ((failed++))
fi fi
@@ -102,7 +102,7 @@ fi
if obiuniq "${TEST_DIR}/touniq.fasta" \ if obiuniq "${TEST_DIR}/touniq.fasta" \
> "${TMPDIR}/touniq_u.fasta" > "${TMPDIR}/touniq_u.fasta"
then then
log "OBIUniq simple: running OK" log "OBIUniq simple: running OK"
((success++)) ((success++))
else else
log "OBIUniq simple: running failed" log "OBIUniq simple: running failed"
@@ -134,7 +134,7 @@ fi
if obiuniq -c a "${TEST_DIR}/touniq.fasta" \ if obiuniq -c a "${TEST_DIR}/touniq.fasta" \
> "${TMPDIR}/touniq_u_a.fasta" > "${TMPDIR}/touniq_u_a.fasta"
then then
log "OBIUniq one category: running OK" log "OBIUniq one category: running OK"
((success++)) ((success++))
else else
log "OBIUniq one category: running failed" log "OBIUniq one category: running failed"
@@ -167,7 +167,7 @@ fi
if obiuniq -c a -c b "${TEST_DIR}/touniq.fasta" \ if obiuniq -c a -c b "${TEST_DIR}/touniq.fasta" \
> "${TMPDIR}/touniq_u_a_b.fasta" > "${TMPDIR}/touniq_u_a_b.fasta"
then then
log "OBIUniq two categories: running OK" log "OBIUniq two categories: running OK"
((success++)) ((success++))
else else
log "OBIUniq two categories: running failed" log "OBIUniq two categories: running failed"
@@ -195,6 +195,59 @@ else
((failed++)) ((failed++))
fi fi
##
## Test merge attributes consistency between in-memory and on-disk paths
## This test catches the bug where the shared classifier in the on-disk
## dereplication path caused incorrect merged attributes.
##
((ntest++))
if obiuniq -m a -m b --in-memory \
"${TEST_DIR}/touniq.fasta" \
> "${TMPDIR}/touniq_u_merge_mem.fasta" 2>/dev/null
then
log "OBIUniq merge in-memory: running OK"
((success++))
else
log "OBIUniq merge in-memory: running failed"
((failed++))
fi
((ntest++))
if obiuniq -m a -m b --chunk-count 4 \
"${TEST_DIR}/touniq.fasta" \
> "${TMPDIR}/touniq_u_merge_disk.fasta" 2>/dev/null
then
log "OBIUniq merge on-disk: running OK"
((success++))
else
log "OBIUniq merge on-disk: running failed"
((failed++))
fi
# Extract sorted annotations (JSON attributes) from both outputs
# to compare merge results independently of sequence ordering
grep '^>' "${TMPDIR}/touniq_u_merge_mem.fasta" \
| sed 's/^>seq[0-9]* //' \
| sort \
> "${TMPDIR}/touniq_u_merge_mem.json"
grep '^>' "${TMPDIR}/touniq_u_merge_disk.fasta" \
| sed 's/^>seq[0-9]* //' \
| sort \
> "${TMPDIR}/touniq_u_merge_disk.json"
((ntest++))
if diff "${TMPDIR}/touniq_u_merge_mem.json" \
"${TMPDIR}/touniq_u_merge_disk.json" > /dev/null
then
log "OBIUniq merge on-disk vs in-memory: result OK"
((success++))
else
log "OBIUniq merge on-disk vs in-memory: result failed"
((failed++))
fi
######################################### #########################################
# #
# At the end of the tests # At the end of the tests

View File

@@ -110,6 +110,7 @@ func ISequenceChunkOnDisk(iterator obiiter.IBioSequence,
log.Infof("Data splitted over %d batches", nbatch) log.Infof("Data splitted over %d batches", nbatch)
go func() { go func() {
localClassifier := uniqueClassifier.Clone()
for order, file := range fileNames { for order, file := range fileNames {
iseq, err := obiformats.ReadSequencesFromFile(file) iseq, err := obiformats.ReadSequencesFromFile(file)
@@ -121,7 +122,7 @@ func ISequenceChunkOnDisk(iterator obiiter.IBioSequence,
if dereplicate { if dereplicate {
u := make(map[string]*obiseq.BioSequence) u := make(map[string]*obiseq.BioSequence)
var source string var source string
uniqueClassifier.Reset() localClassifier.Reset()
for iseq.Next() { for iseq.Next() {
batch := iseq.Get() batch := iseq.Get()
@@ -129,8 +130,8 @@ func ISequenceChunkOnDisk(iterator obiiter.IBioSequence,
for _, seq := range batch.Slice() { for _, seq := range batch.Slice() {
// Use composite key: sequence + categories // Use composite key: sequence + categories
code := uniqueClassifier.Code(seq) code := localClassifier.Code(seq)
key := uniqueClassifier.Value(code) key := localClassifier.Value(code)
prev, ok := u[key] prev, ok := u[key]
if ok { if ok {
prev.Merge(seq, na, true, statsOn) prev.Merge(seq, na, true, statsOn)

View File

@@ -14,35 +14,39 @@ func AhoCorazickWorker(slot string, patterns []string) obiseq.SeqWorker {
sizebatch:=10000000 sizebatch:=10000000
nmatcher := len(patterns) / sizebatch + 1 nmatcher := len(patterns) / sizebatch + 1
log.Infof("Building AhoCorasick %d matcher for %d patterns in slot %s", log.Infof("Building AhoCorasick %d matcher for %d patterns in slot %s",
nmatcher, len(patterns), slot) nmatcher, len(patterns), slot)
if nmatcher == 0 { if nmatcher == 0 {
log.Errorln("No patterns provided") log.Errorln("No patterns provided")
} }
matchers := make([]*ahocorasick.Matcher, nmatcher) matchers := make([]*ahocorasick.Matcher, nmatcher)
ieme := make(chan int) ieme := make(chan int)
mutex := &sync.WaitGroup{} mutex := &sync.WaitGroup{}
npar := min(obidefault.ParallelWorkers(), nmatcher) npar := min(obidefault.ParallelWorkers(), nmatcher)
mutex.Add(npar) mutex.Add(npar)
pbopt := make([]progressbar.Option, 0, 5) var bar *progressbar.ProgressBar
pbopt = append(pbopt, if obidefault.ProgressBar() {
progressbar.OptionSetWriter(os.Stderr), pbopt := make([]progressbar.Option, 0, 5)
progressbar.OptionSetWidth(15), pbopt = append(pbopt,
progressbar.OptionShowCount(), progressbar.OptionSetWriter(os.Stderr),
progressbar.OptionShowIts(), progressbar.OptionSetWidth(15),
progressbar.OptionSetDescription("Building AhoCorasick matcher..."), progressbar.OptionShowCount(),
) progressbar.OptionShowIts(),
progressbar.OptionSetDescription("Building AhoCorasick matcher..."),
)
bar := progressbar.NewOptions(nmatcher, pbopt...) bar = progressbar.NewOptions(nmatcher, pbopt...)
bar.Add(0) }
builder := func() { builder := func() {
for i := range ieme { for i := range ieme {
matchers[i] = ahocorasick.CompileStrings(patterns[i*sizebatch:min((i+1)*sizebatch,len(patterns))]) matchers[i] = ahocorasick.CompileStrings(patterns[i*sizebatch:min((i+1)*sizebatch,len(patterns))])
bar.Add(1) if bar != nil {
bar.Add(1)
}
} }
mutex.Done() mutex.Done()
} }

View File

@@ -1,6 +1,12 @@
package obidefault package obidefault
var _BatchSize = 2000 // _BatchSize is the minimum number of sequences per batch (floor).
// Used as the minSeqs argument to RebatchBySize.
var _BatchSize = 1
// _BatchSizeMax is the maximum number of sequences per batch (ceiling).
// A batch is flushed when this count is reached regardless of memory usage.
var _BatchSizeMax = 2000
// SetBatchSize sets the size of the sequence batches. // SetBatchSize sets the size of the sequence batches.
// //
@@ -24,3 +30,42 @@ func BatchSize() int {
func BatchSizePtr() *int { func BatchSizePtr() *int {
return &_BatchSize return &_BatchSize
} }
// BatchSizeMax returns the maximum number of sequences per batch.
func BatchSizeMax() int {
return _BatchSizeMax
}
func BatchSizeMaxPtr() *int {
return &_BatchSizeMax
}
// _BatchMem holds the maximum cumulative memory (in bytes) per batch when
// memory-based batching is requested. A value of 0 disables memory-based
// batching and falls back to count-based batching.
var _BatchMem = 128 * 1024 * 1024 // 128 MB default; set to 0 to disable
var _BatchMemStr = ""
// SetBatchMem sets the memory budget per batch in bytes.
func SetBatchMem(n int) {
_BatchMem = n
}
// BatchMem returns the current memory budget per batch in bytes.
// A value of 0 means memory-based batching is disabled.
func BatchMem() int {
return _BatchMem
}
func BatchMemPtr() *int {
return &_BatchMem
}
// BatchMemStr returns the raw --batch-mem string value as provided on the CLI.
func BatchMemStr() string {
return _BatchMemStr
}
func BatchMemStrPtr() *string {
return &_BatchMemStr
}

View File

@@ -0,0 +1,19 @@
package obidefault
var __no_progress_bar__ = false
func ProgressBar() bool {
return !__no_progress_bar__
}
func NoProgressBar() bool {
return __no_progress_bar__
}
func SetNoProgressBar(b bool) {
__no_progress_bar__ = b
}
func NoProgressBarPtr() *bool {
return &__no_progress_bar__
}

View File

@@ -161,6 +161,149 @@ func EmblChunkParser(withFeatureTable, UtoT bool) func(string, io.Reader) (obise
return parser return parser
} }
// extractEmblSeq scans the sequence section of an EMBL record directly on the
// rope. EMBL sequence lines start with 5 spaces followed by bases in groups of
// 10, separated by spaces, with a position number at the end. The section ends
// with "//".
func (s *ropeScanner) extractEmblSeq(dest []byte, UtoT bool) []byte {
// We use ReadLine and scan each line for bases (skip digits, spaces, newlines).
for {
line := s.ReadLine()
if line == nil {
break
}
if len(line) >= 2 && line[0] == '/' && line[1] == '/' {
break
}
// Lines start with 5 spaces; bases follow separated by single spaces.
// Digits at the end are the position counter — skip them.
// Simplest: take every byte that is a letter.
for _, b := range line {
if b >= 'A' && b <= 'Z' {
b += 'a' - 'A'
}
if UtoT && b == 'u' {
b = 't'
}
if b >= 'a' && b <= 'z' {
dest = append(dest, b)
}
}
}
return dest
}
// EmblChunkParserRope parses an EMBL chunk directly from a rope without Pack().
func EmblChunkParserRope(source string, rope *PieceOfChunk, withFeatureTable, UtoT bool) (obiseq.BioSequenceSlice, error) {
scanner := newRopeScanner(rope)
sequences := obiseq.MakeBioSequenceSlice(100)[:0]
var id string
var scientificName string
defBytes := make([]byte, 0, 256)
featBytes := make([]byte, 0, 1024)
var taxid int
inSeq := false
for {
line := scanner.ReadLine()
if line == nil {
break
}
if inSeq {
// Should not happen — extractEmblSeq consumed up to "//"
inSeq = false
continue
}
switch {
case bytes.HasPrefix(line, []byte("ID ")):
id = string(bytes.SplitN(line[5:], []byte(";"), 2)[0])
case bytes.HasPrefix(line, []byte("OS ")):
scientificName = string(bytes.TrimSpace(line[5:]))
case bytes.HasPrefix(line, []byte("DE ")):
if len(defBytes) > 0 {
defBytes = append(defBytes, ' ')
}
defBytes = append(defBytes, bytes.TrimSpace(line[5:])...)
case withFeatureTable && bytes.HasPrefix(line, []byte("FH ")):
featBytes = append(featBytes, line...)
case withFeatureTable && bytes.Equal(line, []byte("FH")):
featBytes = append(featBytes, '\n')
featBytes = append(featBytes, line...)
case bytes.HasPrefix(line, []byte("FT ")):
if withFeatureTable {
featBytes = append(featBytes, '\n')
featBytes = append(featBytes, line...)
}
if bytes.HasPrefix(line, []byte(`FT /db_xref="taxon:`)) {
rest := line[37:]
end := bytes.IndexByte(rest, '"')
if end > 0 {
taxid, _ = strconv.Atoi(string(rest[:end]))
}
}
case bytes.HasPrefix(line, []byte(" ")):
// First sequence line: extract all bases via extractEmblSeq,
// which also consumes this line's remaining content.
// But ReadLine already consumed this line — we need to process it
// plus subsequent lines. Process this line inline then call helper.
seqDest := make([]byte, 0, 4096)
for _, b := range line {
if b >= 'A' && b <= 'Z' {
b += 'a' - 'A'
}
if UtoT && b == 'u' {
b = 't'
}
if b >= 'a' && b <= 'z' {
seqDest = append(seqDest, b)
}
}
seqDest = scanner.extractEmblSeq(seqDest, UtoT)
seq := obiseq.NewBioSequenceOwning(id, seqDest, string(defBytes))
seq.SetSource(source)
if withFeatureTable {
seq.SetFeatures(featBytes)
}
annot := seq.Annotations()
annot["scientific_name"] = scientificName
annot["taxid"] = taxid
sequences = append(sequences, seq)
// Reset state
id = ""
scientificName = ""
defBytes = defBytes[:0]
featBytes = featBytes[:0]
taxid = 1
case bytes.Equal(line, []byte("//")):
// record ended without SQ/sequence section (e.g. WGS entries)
if id != "" {
seq := obiseq.NewBioSequenceOwning(id, []byte{}, string(defBytes))
seq.SetSource(source)
if withFeatureTable {
seq.SetFeatures(featBytes)
}
annot := seq.Annotations()
annot["scientific_name"] = scientificName
annot["taxid"] = taxid
sequences = append(sequences, seq)
}
id = ""
scientificName = ""
defBytes = defBytes[:0]
featBytes = featBytes[:0]
taxid = 1
}
}
return sequences, nil
}
func _ParseEmblFile( func _ParseEmblFile(
input ChannelFileChunk, input ChannelFileChunk,
out obiiter.IBioSequence, out obiiter.IBioSequence,
@@ -171,7 +314,14 @@ func _ParseEmblFile(
for chunks := range input { for chunks := range input {
order := chunks.Order order := chunks.Order
sequences, err := parser(chunks.Source, chunks.Raw) var sequences obiseq.BioSequenceSlice
var err error
if chunks.Rope != nil {
sequences, err = EmblChunkParserRope(chunks.Source, chunks.Rope, withFeatureTable, UtoT)
} else {
sequences, err = parser(chunks.Source, chunks.Raw)
}
if err != nil { if err != nil {
log.Fatalf("%s : Cannot parse the embl file : %v", chunks.Source, err) log.Fatalf("%s : Cannot parse the embl file : %v", chunks.Source, err)
@@ -196,6 +346,7 @@ func ReadEMBL(reader io.Reader, options ...WithOption) (obiiter.IBioSequence, er
1024*1024*128, 1024*1024*128,
EndOfLastFlatFileEntry, EndOfLastFlatFileEntry,
"\nID ", "\nID ",
false,
) )
newIter := obiiter.MakeIBioSequence() newIter := obiiter.MakeIBioSequence()

View File

@@ -209,28 +209,121 @@ func FastaChunkParser(UtoT bool) func(string, io.Reader) (obiseq.BioSequenceSlic
return parser return parser
} }
// extractFastaSeq scans sequence bytes from the rope directly into dest,
// appending valid nucleotide characters and skipping whitespace.
// Stops when '>' is found at the start of a line (next record) or at EOF.
// Returns (dest with appended bases, hasMore).
// hasMore=true means scanner is now positioned at '>' of the next record.
func (s *ropeScanner) extractFastaSeq(dest []byte, UtoT bool) ([]byte, bool) {
lineStart := true
for s.current != nil {
data := s.current.data[s.pos:]
for i, b := range data {
if lineStart && b == '>' {
s.pos += i
if s.pos >= len(s.current.data) {
s.current = s.current.Next()
s.pos = 0
}
return dest, true
}
if b == '\n' || b == '\r' {
lineStart = true
continue
}
lineStart = false
if b == ' ' || b == '\t' {
continue
}
if b >= 'A' && b <= 'Z' {
b += 'a' - 'A'
}
if UtoT && b == 'u' {
b = 't'
}
dest = append(dest, b)
}
s.current = s.current.Next()
s.pos = 0
}
return dest, false
}
// FastaChunkParserRope parses a FASTA chunk directly from the rope without Pack().
func FastaChunkParserRope(source string, rope *PieceOfChunk, UtoT bool) (obiseq.BioSequenceSlice, error) {
scanner := newRopeScanner(rope)
sequences := obiseq.MakeBioSequenceSlice(100)[:0]
for {
bline := scanner.ReadLine()
if bline == nil {
break
}
if len(bline) == 0 || bline[0] != '>' {
continue
}
// Parse header: ">id definition"
header := bline[1:]
var id string
var definition string
sp := bytes.IndexByte(header, ' ')
if sp < 0 {
sp = bytes.IndexByte(header, '\t')
}
if sp < 0 {
id = string(header)
} else {
id = string(header[:sp])
definition = string(bytes.TrimSpace(header[sp+1:]))
}
seqDest := make([]byte, 0, 4096)
var hasMore bool
seqDest, hasMore = scanner.extractFastaSeq(seqDest, UtoT)
if len(seqDest) == 0 {
log.Fatalf("%s [%s]: sequence is empty", source, id)
}
seq := obiseq.NewBioSequenceOwning(id, seqDest, definition)
seq.SetSource(source)
sequences = append(sequences, seq)
if !hasMore {
break
}
}
return sequences, nil
}
func _ParseFastaFile( func _ParseFastaFile(
input ChannelFileChunk, input ChannelFileChunk,
out obiiter.IBioSequence, out obiiter.IBioSequence,
UtoT bool, UtoT bool,
) { ) {
parser := FastaChunkParser(UtoT) parser := FastaChunkParser(UtoT)
for chunks := range input { for chunks := range input {
sequences, err := parser(chunks.Source, chunks.Raw) var sequences obiseq.BioSequenceSlice
// obilog.Warnf("Chunck(%d:%d) -%d- ", chunks.Order, l, sequences.Len()) var err error
if chunks.Rope != nil {
sequences, err = FastaChunkParserRope(chunks.Source, chunks.Rope, UtoT)
} else {
sequences, err = parser(chunks.Source, chunks.Raw)
}
if err != nil { if err != nil {
log.Fatalf("File %s : Cannot parse the fasta file : %v", chunks.Source, err) log.Fatalf("File %s : Cannot parse the fasta file : %v", chunks.Source, err)
} }
out.Push(obiiter.MakeBioSequenceBatch(chunks.Source, chunks.Order, sequences)) out.Push(obiiter.MakeBioSequenceBatch(chunks.Source, chunks.Order, sequences))
} }
out.Done() out.Done()
} }
func ReadFasta(reader io.Reader, options ...WithOption) (obiiter.IBioSequence, error) { func ReadFasta(reader io.Reader, options ...WithOption) (obiiter.IBioSequence, error) {
@@ -245,6 +338,7 @@ func ReadFasta(reader io.Reader, options ...WithOption) (obiiter.IBioSequence, e
1024*1024, 1024*1024,
EndOfLastFastaEntry, EndOfLastFastaEntry,
"\n>", "\n>",
false,
) )
for i := 0; i < nworker; i++ { for i := 0; i < nworker; i++ {

View File

@@ -303,6 +303,80 @@ func FastqChunkParser(quality_shift byte, with_quality bool, UtoT bool) func(str
return parser return parser
} }
// FastqChunkParserRope parses a FASTQ chunk directly from a rope without Pack().
func FastqChunkParserRope(source string, rope *PieceOfChunk, quality_shift byte, with_quality, UtoT bool) (obiseq.BioSequenceSlice, error) {
scanner := newRopeScanner(rope)
sequences := obiseq.MakeBioSequenceSlice(100)[:0]
for {
// Line 1: @id [definition]
hline := scanner.ReadLine()
if hline == nil {
break
}
if len(hline) == 0 || hline[0] != '@' {
continue
}
header := hline[1:]
var id string
var definition string
sp := bytes.IndexByte(header, ' ')
if sp < 0 {
sp = bytes.IndexByte(header, '\t')
}
if sp < 0 {
id = string(header)
} else {
id = string(header[:sp])
definition = string(bytes.TrimSpace(header[sp+1:]))
}
// Line 2: sequence
sline := scanner.ReadLine()
if sline == nil {
log.Fatalf("@%s[%s]: unexpected EOF after header", id, source)
}
seqDest := make([]byte, len(sline))
w := 0
for _, b := range sline {
if b >= 'A' && b <= 'Z' {
b += 'a' - 'A'
}
if UtoT && b == 'u' {
b = 't'
}
seqDest[w] = b
w++
}
seqDest = seqDest[:w]
if len(seqDest) == 0 {
log.Fatalf("@%s[%s]: sequence is empty", id, source)
}
// Line 3: + (skip)
scanner.ReadLine()
// Line 4: quality
qline := scanner.ReadLine()
seq := obiseq.NewBioSequenceOwning(id, seqDest, definition)
seq.SetSource(source)
if with_quality && qline != nil {
qDest := make([]byte, len(qline))
copy(qDest, qline)
for i := range qDest {
qDest[i] -= quality_shift
}
seq.TakeQualities(qDest)
}
sequences = append(sequences, seq)
}
return sequences, nil
}
func _ParseFastqFile( func _ParseFastqFile(
input ChannelFileChunk, input ChannelFileChunk,
out obiiter.IBioSequence, out obiiter.IBioSequence,
@@ -313,7 +387,14 @@ func _ParseFastqFile(
parser := FastqChunkParser(quality_shift, with_quality, UtoT) parser := FastqChunkParser(quality_shift, with_quality, UtoT)
for chunks := range input { for chunks := range input {
sequences, err := parser(chunks.Source, chunks.Raw) var sequences obiseq.BioSequenceSlice
var err error
if chunks.Rope != nil {
sequences, err = FastqChunkParserRope(chunks.Source, chunks.Rope, quality_shift, with_quality, UtoT)
} else {
sequences, err = parser(chunks.Source, chunks.Raw)
}
if err != nil { if err != nil {
log.Fatalf("File %s : Cannot parse the fastq file : %v", chunks.Source, err) log.Fatalf("File %s : Cannot parse the fastq file : %v", chunks.Source, err)
@@ -339,6 +420,7 @@ func ReadFastq(reader io.Reader, options ...WithOption) (obiiter.IBioSequence, e
1024*1024, 1024*1024,
EndOfLastFastqEntry, EndOfLastFastqEntry,
"\n@", "\n@",
false,
) )
for i := 0; i < nworker; i++ { for i := 0; i < nworker; i++ {

View File

@@ -296,7 +296,7 @@ func _parse_json_header_(header string, sequence *obiseq.BioSequence) string {
case strings.HasSuffix(skey, "_taxid"): case strings.HasSuffix(skey, "_taxid"):
if dataType == jsonparser.Number || dataType == jsonparser.String { if dataType == jsonparser.Number || dataType == jsonparser.String {
rank, _ := obiutils.SplitInTwo(skey, '_') rank := skey[:len(skey)-len("_taxid")]
taxid := string(value) taxid := string(value)
sequence.SetTaxid(taxid, rank) sequence.SetTaxid(taxid, rank)

View File

@@ -77,45 +77,47 @@ func FormatFasta(seq *obiseq.BioSequence, formater FormatHeader) string {
// //
// It returns a byte array containing the formatted sequences. // It returns a byte array containing the formatted sequences.
func FormatFastaBatch(batch obiiter.BioSequenceBatch, formater FormatHeader, skipEmpty bool) *bytes.Buffer { func FormatFastaBatch(batch obiiter.BioSequenceBatch, formater FormatHeader, skipEmpty bool) *bytes.Buffer {
// Create a buffer to store the formatted sequences
var bs bytes.Buffer var bs bytes.Buffer
lt := 0 lt := 0
for _, seq := range batch.Slice() { for _, seq := range batch.Slice() {
lt += seq.Len() lt += seq.Len()
} }
// Iterate over each sequence in the batch // Pre-allocate: sequence data + newlines every 60 chars + ~100 bytes header per sequence
bs.Grow(lt + lt/60 + 100*batch.Len() + 1)
log.Debugf("FormatFastaBatch: #%d : %d seqs", batch.Order(), batch.Len()) log.Debugf("FormatFastaBatch: #%d : %d seqs", batch.Order(), batch.Len())
first := true
for _, seq := range batch.Slice() { for _, seq := range batch.Slice() {
// Check if the sequence is empty
if seq.Len() > 0 { if seq.Len() > 0 {
// Format the sequence using the provided formater function // Write header directly into bs — no intermediate string
formattedSeq := FormatFasta(seq, formater) bs.WriteByte('>')
bs.WriteString(seq.Id())
if first { bs.WriteByte(' ')
bs.Grow(lt + (len(formattedSeq)-seq.Len())*batch.Len()*5/4) bs.WriteString(formater(seq))
first = false
}
// Append the formatted sequence to the buffer
bs.WriteString(formattedSeq)
bs.WriteByte('\n') bs.WriteByte('\n')
// Write folded sequence directly into bs — no copies
s := seq.Sequence()
l := len(s)
for i := 0; i < l; i += 60 {
to := i + 60
if to > l {
to = l
}
bs.Write(s[i:to])
bs.WriteByte('\n')
}
} else { } else {
// Handle empty sequences
if skipEmpty { if skipEmpty {
// Skip empty sequences if skipEmpty is true
obilog.Warnf("Sequence %s is empty and skipped in output", seq.Id()) obilog.Warnf("Sequence %s is empty and skipped in output", seq.Id())
} else { } else {
// Terminate the program if skipEmpty is false
log.Fatalf("Sequence %s is empty", seq.Id()) log.Fatalf("Sequence %s is empty", seq.Id())
} }
} }
} }
// Return the byte array representation of the buffer
return &bs return &bs
} }

View File

@@ -16,6 +16,7 @@ type SeqFileChunkParser func(string, io.Reader) (obiseq.BioSequenceSlice, error)
type FileChunk struct { type FileChunk struct {
Source string Source string
Raw *bytes.Buffer Raw *bytes.Buffer
Rope *PieceOfChunk
Order int Order int
} }
@@ -97,11 +98,17 @@ func (piece *PieceOfChunk) IsLast() bool {
return piece.next == nil return piece.next == nil
} }
func (piece *PieceOfChunk) FileChunk(source string, order int) FileChunk { func (piece *PieceOfChunk) FileChunk(source string, order int, pack bool) FileChunk {
piece.Pack() piece = piece.Head()
var raw *bytes.Buffer
if pack {
piece.Pack()
raw = bytes.NewBuffer(piece.data)
}
return FileChunk{ return FileChunk{
Source: source, Source: source,
Raw: bytes.NewBuffer(piece.data), Raw: raw,
Rope: piece,
Order: order, Order: order,
} }
} }
@@ -133,7 +140,8 @@ func ReadFileChunk(
reader io.Reader, reader io.Reader,
fileChunkSize int, fileChunkSize int,
splitter LastSeqRecord, splitter LastSeqRecord,
probe string) ChannelFileChunk { probe string,
pack bool) ChannelFileChunk {
chunk_channel := make(ChannelFileChunk) chunk_channel := make(ChannelFileChunk)
@@ -205,7 +213,7 @@ func ReadFileChunk(
if len(pieces.data) > 0 { if len(pieces.data) > 0 {
// obilog.Warnf("chuck %d :Read %d bytes from file %s", i, io.Len(), source) // obilog.Warnf("chuck %d :Read %d bytes from file %s", i, io.Len(), source)
chunk_channel <- pieces.FileChunk(source, i) chunk_channel <- pieces.FileChunk(source, i, pack)
i++ i++
} }
@@ -222,7 +230,7 @@ func ReadFileChunk(
// Send the last chunk to the channel // Send the last chunk to the channel
if pieces.Len() > 0 { if pieces.Len() > 0 {
chunk_channel <- pieces.FileChunk(source, i) chunk_channel <- pieces.FileChunk(source, i, pack)
} }
// Close the readers channel when the end of the file is reached // Close the readers channel when the end of the file is reached

View File

@@ -29,6 +29,265 @@ const (
var _seqlenght_rx = regexp.MustCompile(" +([0-9]+) bp") var _seqlenght_rx = regexp.MustCompile(" +([0-9]+) bp")
// extractSequence scans the ORIGIN section byte-by-byte directly on the rope,
// appending compacted bases to dest. Returns the extended slice.
// Stops and returns when "//" is found at the start of a line.
// The scanner is left positioned after the "//" line.
func (s *ropeScanner) extractSequence(dest []byte, UtoT bool) []byte {
lineStart := true
skipDigits := true
for s.current != nil {
data := s.current.data[s.pos:]
for i, b := range data {
if lineStart {
if b == '/' {
// End-of-record marker "//"
s.pos += i + 1
if s.pos >= len(s.current.data) {
s.current = s.current.Next()
s.pos = 0
}
s.skipToNewline()
return dest
}
lineStart = false
skipDigits = true
}
switch {
case b == '\n':
lineStart = true
case b == '\r':
// skip
case skipDigits:
if b != ' ' && (b < '0' || b > '9') {
skipDigits = false
if UtoT && b == 'u' {
b = 't'
}
dest = append(dest, b)
}
case b != ' ':
if UtoT && b == 'u' {
b = 't'
}
dest = append(dest, b)
}
}
s.current = s.current.Next()
s.pos = 0
}
return dest
}
// parseLseqFromLocus extracts the declared sequence length from a LOCUS line.
// Format: "LOCUS <id> <length> bp ..."
// Returns -1 if not found or parse error.
func parseLseqFromLocus(line []byte) int {
if len(line) < 13 {
return -1
}
i := 12
for i < len(line) && line[i] != ' ' {
i++
}
for i < len(line) && line[i] == ' ' {
i++
}
start := i
for i < len(line) && line[i] >= '0' && line[i] <= '9' {
i++
}
if i == start {
return -1
}
n, err := strconv.Atoi(string(line[start:i]))
if err != nil {
return -1
}
return n
}
// Prefix constants for GenBank section headers (byte slices for zero-alloc comparison).
var (
gbPfxLocus = []byte("LOCUS ")
gbPfxDefinition = []byte("DEFINITION ")
gbPfxContinue = []byte(" ")
gbPfxSource = []byte("SOURCE ")
gbPfxFeatures = []byte("FEATURES ")
gbPfxOrigin = []byte("ORIGIN")
gbPfxContig = []byte("CONTIG")
gbPfxEnd = []byte("//")
gbPfxDbXref = []byte(` /db_xref="taxon:`)
)
// GenbankChunkParserRope parses a GenBank FileChunk directly from the rope
// (PieceOfChunk linked list) without calling Pack(). This eliminates the large
// contiguous allocation required for chromosomal-scale sequences.
func GenbankChunkParserRope(source string, rope *PieceOfChunk,
withFeatureTable, UtoT bool) (obiseq.BioSequenceSlice, error) {
state := inHeader
scanner := newRopeScanner(rope)
sequences := obiseq.MakeBioSequenceSlice(100)[:0]
id := ""
lseq := -1
scientificName := ""
defBytes := new(bytes.Buffer)
featBytes := new(bytes.Buffer)
var seqDest []byte
taxid := 1
nl := 0
for bline := scanner.ReadLine(); bline != nil; bline = scanner.ReadLine() {
nl++
processed := false
for !processed {
switch {
case bytes.HasPrefix(bline, gbPfxLocus):
if state != inHeader {
log.Fatalf("Line %d - Unexpected state %d while reading LOCUS: %s", nl, state, bline)
}
rest := bline[12:]
sp := bytes.IndexByte(rest, ' ')
if sp < 0 {
id = string(rest)
} else {
id = string(rest[:sp])
}
lseq = parseLseqFromLocus(bline)
cap0 := lseq + 20
if cap0 < 1024 {
cap0 = 1024
}
seqDest = make([]byte, 0, cap0)
state = inEntry
processed = true
case bytes.HasPrefix(bline, gbPfxDefinition):
if state != inEntry {
log.Fatalf("Line %d - Unexpected state %d while reading DEFINITION: %s", nl, state, bline)
}
defBytes.Write(bytes.TrimSpace(bline[12:]))
state = inDefinition
processed = true
case state == inDefinition:
if bytes.HasPrefix(bline, gbPfxContinue) {
defBytes.WriteByte(' ')
defBytes.Write(bytes.TrimSpace(bline[12:]))
processed = true
} else {
state = inEntry
}
case bytes.HasPrefix(bline, gbPfxSource):
if state != inEntry {
log.Fatalf("Line %d - Unexpected state %d while reading SOURCE: %s", nl, state, bline)
}
scientificName = string(bytes.TrimSpace(bline[12:]))
processed = true
case bytes.HasPrefix(bline, gbPfxFeatures):
if state != inEntry {
log.Fatalf("Line %d - Unexpected state %d while reading FEATURES: %s", nl, state, bline)
}
if withFeatureTable {
featBytes.Write(bline)
}
state = inFeature
processed = true
case bytes.HasPrefix(bline, gbPfxOrigin):
if state != inFeature && state != inContig {
log.Fatalf("Line %d - Unexpected state %d while reading ORIGIN: %s", nl, state, bline)
}
// Use fast byte-scan to extract sequence and consume through "//"
seqDest = scanner.extractSequence(seqDest, UtoT)
// Emit record
if id == "" {
log.Warn("Empty id when parsing genbank file")
}
sequence := obiseq.NewBioSequenceOwning(id, seqDest, defBytes.String())
sequence.SetSource(source)
if withFeatureTable {
sequence.SetFeatures(featBytes.Bytes())
}
annot := sequence.Annotations()
annot["scientific_name"] = scientificName
annot["taxid"] = taxid
sequences = append(sequences, sequence)
defBytes = bytes.NewBuffer(obiseq.GetSlice(200))
featBytes = new(bytes.Buffer)
nl = 0
taxid = 1
seqDest = nil
state = inHeader
processed = true
case bytes.HasPrefix(bline, gbPfxContig):
if state != inFeature && state != inContig {
log.Fatalf("Line %d - Unexpected state %d while reading CONTIG: %s", nl, state, bline)
}
state = inContig
processed = true
case bytes.Equal(bline, gbPfxEnd):
// Reached for CONTIG records (no ORIGIN section)
if state != inContig {
log.Fatalf("Line %d - Unexpected state %d while reading end of record %s", nl, state, id)
}
if id == "" {
log.Warn("Empty id when parsing genbank file")
}
sequence := obiseq.NewBioSequenceOwning(id, seqDest, defBytes.String())
sequence.SetSource(source)
if withFeatureTable {
sequence.SetFeatures(featBytes.Bytes())
}
annot := sequence.Annotations()
annot["scientific_name"] = scientificName
annot["taxid"] = taxid
sequences = append(sequences, sequence)
defBytes = bytes.NewBuffer(obiseq.GetSlice(200))
featBytes = new(bytes.Buffer)
nl = 0
taxid = 1
seqDest = nil
state = inHeader
processed = true
default:
switch state {
case inFeature:
if withFeatureTable {
featBytes.WriteByte('\n')
featBytes.Write(bline)
}
if bytes.HasPrefix(bline, gbPfxDbXref) {
rest := bline[len(gbPfxDbXref):]
q := bytes.IndexByte(rest, '"')
if q >= 0 {
taxid, _ = strconv.Atoi(string(rest[:q]))
}
}
processed = true
case inHeader, inEntry, inContig:
processed = true
default:
log.Fatalf("Unexpected state %d while reading: %s", state, bline)
}
}
}
}
return sequences, nil
}
func GenbankChunkParser(withFeatureTable, UtoT bool) func(string, io.Reader) (obiseq.BioSequenceSlice, error) { func GenbankChunkParser(withFeatureTable, UtoT bool) func(string, io.Reader) (obiseq.BioSequenceSlice, error) {
return func(source string, input io.Reader) (obiseq.BioSequenceSlice, error) { return func(source string, input io.Reader) (obiseq.BioSequenceSlice, error) {
state := inHeader state := inHeader
@@ -125,13 +384,10 @@ func GenbankChunkParser(withFeatureTable, UtoT bool) func(string, io.Reader) (ob
if state != inSequence && state != inContig { if state != inSequence && state != inContig {
log.Fatalf("Line %d - Unexpected state %d while reading end of record %s", nl, state, id) log.Fatalf("Line %d - Unexpected state %d while reading end of record %s", nl, state, id)
} }
// log.Debugln("Total lines := ", nl)
if id == "" { if id == "" {
log.Warn("Empty id when parsing genbank file") log.Warn("Empty id when parsing genbank file")
} }
// log.Debugf("End of sequence %s: %dbp ", id, seqBytes.Len())
sequence := obiseq.NewBioSequence(id, sequence := obiseq.NewBioSequence(id,
seqBytes.Bytes(), seqBytes.Bytes(),
defBytes.String()) defBytes.String())
@@ -144,9 +400,6 @@ func GenbankChunkParser(withFeatureTable, UtoT bool) func(string, io.Reader) (ob
annot := sequence.Annotations() annot := sequence.Annotations()
annot["scientific_name"] = scientificName annot["scientific_name"] = scientificName
annot["taxid"] = taxid annot["taxid"] = taxid
// log.Println(FormatFasta(sequence, FormatFastSeqJsonHeader))
// log.Debugf("Read sequences %s: %dbp (%d)", sequence.Id(),
// sequence.Len(), seqBytes.Len())
sequences = append(sequences, sequence) sequences = append(sequences, sequence)
@@ -159,12 +412,11 @@ func GenbankChunkParser(withFeatureTable, UtoT bool) func(string, io.Reader) (ob
processed = true processed = true
case state == inSequence: case state == inSequence:
// log.Debugf("Chunk %d : Genbank: line %d, state = %d : %s", chunks.order, nl, state, line)
sl++ sl++
parts := strings.SplitN(line[10:], " ", 6) cleanline := strings.TrimSpace(line)
parts := strings.SplitN(cleanline, " ", 7)
lparts := len(parts) lparts := len(parts)
for i := 0; i < lparts; i++ { for i := 1; i < lparts; i++ {
if UtoT { if UtoT {
parts[i] = strings.ReplaceAll(parts[i], "u", "t") parts[i] = strings.ReplaceAll(parts[i], "u", "t")
} }
@@ -197,6 +449,7 @@ func GenbankChunkParser(withFeatureTable, UtoT bool) func(string, io.Reader) (ob
} }
_ = sl
return sequences, nil return sequences, nil
} }
} }
@@ -205,10 +458,16 @@ func _ParseGenbankFile(input ChannelFileChunk,
out obiiter.IBioSequence, out obiiter.IBioSequence,
withFeatureTable, UtoT bool) { withFeatureTable, UtoT bool) {
parser := GenbankChunkParser(withFeatureTable, UtoT)
for chunks := range input { for chunks := range input {
sequences, err := parser(chunks.Source, chunks.Raw) var sequences obiseq.BioSequenceSlice
var err error
if chunks.Rope != nil {
sequences, err = GenbankChunkParserRope(chunks.Source, chunks.Rope, withFeatureTable, UtoT)
} else {
parser := GenbankChunkParser(withFeatureTable, UtoT)
sequences, err = parser(chunks.Source, chunks.Raw)
}
if err != nil { if err != nil {
log.Fatalf("File %s : Cannot parse the genbank file : %v", chunks.Source, err) log.Fatalf("File %s : Cannot parse the genbank file : %v", chunks.Source, err)
@@ -224,7 +483,6 @@ func _ParseGenbankFile(input ChannelFileChunk,
func ReadGenbank(reader io.Reader, options ...WithOption) (obiiter.IBioSequence, error) { func ReadGenbank(reader io.Reader, options ...WithOption) (obiiter.IBioSequence, error) {
opt := MakeOptions(options) opt := MakeOptions(options)
// entry_channel := make(chan _FileChunk)
entry_channel := ReadFileChunk( entry_channel := ReadFileChunk(
opt.Source(), opt.Source(),
@@ -232,13 +490,13 @@ func ReadGenbank(reader io.Reader, options ...WithOption) (obiiter.IBioSequence,
1024*1024*128, 1024*1024*128,
EndOfLastFlatFileEntry, EndOfLastFlatFileEntry,
"\nLOCUS ", "\nLOCUS ",
false, // do not pack: rope-based parser avoids contiguous allocation
) )
newIter := obiiter.MakeIBioSequence() newIter := obiiter.MakeIBioSequence()
nworkers := opt.ParallelWorkers() nworkers := opt.ParallelWorkers()
// for j := 0; j < opt.ParallelWorkers(); j++ {
for j := 0; j < nworkers; j++ { for j := 0; j < nworkers; j++ {
newIter.Add(1) newIter.Add(1)
go _ParseGenbankFile( go _ParseGenbankFile(
@@ -249,8 +507,6 @@ func ReadGenbank(reader io.Reader, options ...WithOption) (obiiter.IBioSequence,
) )
} }
// go _ReadFlatFileChunk(reader, entry_channel)
go func() { go func() {
newIter.WaitAndClose() newIter.WaitAndClose()
log.Debug("End of the genbank file ", opt.Source()) log.Debug("End of the genbank file ", opt.Source())

View File

@@ -0,0 +1,77 @@
package obiformats
import "bytes"
// ropeScanner reads lines from a PieceOfChunk rope.
// The carry buffer handles lines that span two rope nodes; it grows as needed.
type ropeScanner struct {
current *PieceOfChunk
pos int
carry []byte
}
func newRopeScanner(rope *PieceOfChunk) *ropeScanner {
return &ropeScanner{current: rope}
}
// ReadLine returns the next line without the trailing \n (or \r\n).
// Returns nil at end of rope. The returned slice aliases carry[] or the node
// data and is valid only until the next ReadLine call.
func (s *ropeScanner) ReadLine() []byte {
for {
if s.current == nil {
if len(s.carry) > 0 {
line := s.carry
s.carry = s.carry[:0]
return line
}
return nil
}
data := s.current.data[s.pos:]
idx := bytes.IndexByte(data, '\n')
if idx >= 0 {
var line []byte
if len(s.carry) == 0 {
line = data[:idx]
} else {
s.carry = append(s.carry, data[:idx]...)
line = s.carry
s.carry = s.carry[:0]
}
s.pos += idx + 1
if s.pos >= len(s.current.data) {
s.current = s.current.Next()
s.pos = 0
}
if len(line) > 0 && line[len(line)-1] == '\r' {
line = line[:len(line)-1]
}
return line
}
// No \n in this node: accumulate into carry and advance
s.carry = append(s.carry, data...)
s.current = s.current.Next()
s.pos = 0
}
}
// skipToNewline advances the scanner past the next '\n'.
func (s *ropeScanner) skipToNewline() {
for s.current != nil {
data := s.current.data[s.pos:]
idx := bytes.IndexByte(data, '\n')
if idx >= 0 {
s.pos += idx + 1
if s.pos >= len(s.current.data) {
s.current = s.current.Next()
s.pos = 0
}
return
}
s.current = s.current.Next()
s.pos = 0
}
}

View File

@@ -444,6 +444,67 @@ func (iterator IBioSequence) Rebatch(size int) IBioSequence {
return newIter return newIter
} }
// RebatchBySize reorganises the stream into batches bounded by two independent
// upper limits: maxCount (max number of sequences) and maxBytes (max cumulative
// estimated memory). A batch is flushed as soon as either limit would be
// exceeded. A single sequence larger than maxBytes is always emitted alone.
// Passing 0 for a limit disables that constraint; if both are 0 it falls back
// to Rebatch(obidefault.BatchSizeMax()).
func (iterator IBioSequence) RebatchBySize(maxBytes int, maxCount int) IBioSequence {
if maxBytes <= 0 && maxCount <= 0 {
return iterator.Rebatch(obidefault.BatchSizeMax())
}
newIter := MakeIBioSequence()
newIter.Add(1)
go func() {
newIter.WaitAndClose()
}()
go func() {
order := 0
iterator = iterator.SortBatches()
buffer := obiseq.MakeBioSequenceSlice()
bufBytes := 0
source := ""
flush := func() {
if len(buffer) > 0 {
newIter.Push(MakeBioSequenceBatch(source, order, buffer))
order++
buffer = obiseq.MakeBioSequenceSlice()
bufBytes = 0
}
}
for iterator.Next() {
seqs := iterator.Get()
source = seqs.Source()
for _, s := range seqs.Slice() {
sz := s.MemorySize()
countFull := maxCount > 0 && len(buffer) >= maxCount
memFull := maxBytes > 0 && bufBytes+sz > maxBytes && len(buffer) > 0
if countFull || memFull {
flush()
}
buffer = append(buffer, s)
bufBytes += sz
}
}
flush()
newIter.Done()
}()
if iterator.IsPaired() {
newIter.MarkAsPaired()
}
return newIter
}
func (iterator IBioSequence) FilterEmpty() IBioSequence { func (iterator IBioSequence) FilterEmpty() IBioSequence {
newIter := MakeIBioSequence() newIter := MakeIBioSequence()
@@ -638,7 +699,7 @@ func (iterator IBioSequence) FilterOn(predicate obiseq.SequencePredicate,
trueIter.MarkAsPaired() trueIter.MarkAsPaired()
} }
return trueIter.Rebatch(size) return trueIter.RebatchBySize(obidefault.BatchMem(), obidefault.BatchSizeMax())
} }
func (iterator IBioSequence) FilterAnd(predicate obiseq.SequencePredicate, func (iterator IBioSequence) FilterAnd(predicate obiseq.SequencePredicate,
@@ -694,7 +755,7 @@ func (iterator IBioSequence) FilterAnd(predicate obiseq.SequencePredicate,
trueIter.MarkAsPaired() trueIter.MarkAsPaired()
} }
return trueIter.Rebatch(size) return trueIter.RebatchBySize(obidefault.BatchMem(), obidefault.BatchSizeMax())
} }
// Load all sequences availables from an IBioSequenceBatch iterator into // Load all sequences availables from an IBioSequenceBatch iterator into

View File

@@ -3,6 +3,7 @@ package obiiter
import ( import (
log "github.com/sirupsen/logrus" log "github.com/sirupsen/logrus"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidefault"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq" "git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
) )
@@ -70,7 +71,7 @@ func IFragments(minsize, length, overlap, size, nworkers int) Pipeable {
} }
go f(iterator) go f(iterator)
return newiter.SortBatches().Rebatch(size) return newiter.SortBatches().RebatchBySize(obidefault.BatchMem(), obidefault.BatchSizeMax())
} }
return ifrg return ifrg

View File

@@ -5,18 +5,30 @@ import (
"os" "os"
"time" "time"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidefault"
"github.com/schollz/progressbar/v3" "github.com/schollz/progressbar/v3"
) )
func (iterator IBioSequence) Speed(message string, size ...int) IBioSequence { func (iterator IBioSequence) Speed(message string, size ...int) IBioSequence {
// If the STDERR is redicted and doesn't end up to a terminal // If the progress bar is disabled via --no-progressbar option
if !obidefault.ProgressBar() {
return iterator
}
// If the STDERR is redirected and doesn't end up to a terminal
// No progress bar is printed. // No progress bar is printed.
o, _ := os.Stderr.Stat() o, _ := os.Stderr.Stat()
if (o.Mode() & os.ModeCharDevice) != os.ModeCharDevice { if (o.Mode() & os.ModeCharDevice) != os.ModeCharDevice {
return iterator return iterator
} }
// If stdout is piped, no progress bar is printed.
oo, _ := os.Stdout.Stat()
if (oo.Mode() & os.ModeNamedPipe) == os.ModeNamedPipe {
return iterator
}
newIter := MakeIBioSequence() newIter := MakeIBioSequence()
newIter.Add(1) newIter.Add(1)

View File

@@ -447,141 +447,6 @@ func IterCanonicalKmers(seq []byte, k int) iter.Seq[uint64] {
} }
} }
} }
// SuperKmer represents a maximal subsequence where all consecutive k-mers
// share the same minimizer. A minimizer is the smallest canonical m-mer
// among the (k-m+1) m-mers contained in a k-mer.
type SuperKmer struct {
Minimizer uint64 // The canonical minimizer value (normalized m-mer)
Start int // Starting position in the original sequence (0-indexed)
End int // Ending position (exclusive, like Go slice notation)
Sequence []byte // The actual DNA subsequence [Start:End]
}
// dequeItem represents an element in the monotone deque used for
// tracking minimizers in a sliding window.
type dequeItem struct {
position int // Position of the m-mer in the sequence
canonical uint64 // Canonical (normalized) m-mer value
}
// ExtractSuperKmers extracts super k-mers from a DNA sequence.
// A super k-mer is a maximal subsequence where all consecutive k-mers
// share the same minimizer. The minimizer of a k-mer is the smallest
// canonical m-mer among its (k-m+1) constituent m-mers.
//
// The algorithm uses:
// - Simultaneous forward/reverse m-mer encoding for O(1) canonical m-mer computation
// - Monotone deque for O(1) amortized minimizer tracking per position
//
// The maximum k-mer size is 31 (using 62 bits), leaving the top 2 bits
// available for error markers if needed.
//
// Parameters:
// - seq: DNA sequence as a byte slice (case insensitive, supports A, C, G, T, U)
// - k: k-mer size (must be between m+1 and 31)
// - m: minimizer size (must be between 1 and k-1)
// - buffer: optional pre-allocated buffer for results. If nil, a new slice is created.
//
// Returns:
// - slice of SuperKmer structs representing maximal subsequences
// - nil if parameters are invalid or sequence is too short
//
// Time complexity: O(n) where n is the sequence length
// Space complexity: O(k-m+1) for the deque + O(number of super k-mers) for results
func ExtractSuperKmers(seq []byte, k int, m int, buffer *[]SuperKmer) []SuperKmer {
if m < 1 || m >= k || k < 2 || k > 31 || len(seq) < k {
return nil
}
var result []SuperKmer
if buffer == nil {
estimatedSize := len(seq) / k
if estimatedSize < 1 {
estimatedSize = 1
}
result = make([]SuperKmer, 0, estimatedSize)
} else {
result = (*buffer)[:0]
}
deque := make([]dequeItem, 0, k-m+1)
mMask := uint64(1)<<(m*2) - 1
rcShift := uint((m - 1) * 2)
var fwdMmer, rvcMmer uint64
for i := 0; i < m-1 && i < len(seq); i++ {
code := uint64(__single_base_code__[seq[i]&31])
fwdMmer = (fwdMmer << 2) | code
rvcMmer = (rvcMmer >> 2) | ((code ^ 3) << rcShift)
}
superKmerStart := 0
var currentMinimizer uint64
firstKmer := true
for pos := m - 1; pos < len(seq); pos++ {
code := uint64(__single_base_code__[seq[pos]&31])
fwdMmer = ((fwdMmer << 2) | code) & mMask
rvcMmer = (rvcMmer >> 2) | ((code ^ 3) << rcShift)
canonical := fwdMmer
if rvcMmer < fwdMmer {
canonical = rvcMmer
}
mmerPos := pos - m + 1
if pos >= k-1 {
windowStart := pos - k + 1
for len(deque) > 0 && deque[0].position < windowStart {
deque = deque[1:]
}
}
for len(deque) > 0 && deque[len(deque)-1].canonical >= canonical {
deque = deque[:len(deque)-1]
}
deque = append(deque, dequeItem{position: mmerPos, canonical: canonical})
if pos >= k-1 {
newMinimizer := deque[0].canonical
kmerStart := pos - k + 1
if firstKmer {
currentMinimizer = newMinimizer
firstKmer = false
} else if newMinimizer != currentMinimizer {
endPos := kmerStart + k - 1
superKmer := SuperKmer{
Minimizer: currentMinimizer,
Start: superKmerStart,
End: endPos,
Sequence: seq[superKmerStart:endPos],
}
result = append(result, superKmer)
superKmerStart = kmerStart
currentMinimizer = newMinimizer
}
}
}
if !firstKmer {
superKmer := SuperKmer{
Minimizer: currentMinimizer,
Start: superKmerStart,
End: len(seq),
Sequence: seq[superKmerStart:],
}
result = append(result, superKmer)
}
return result
}
// ReverseComplement computes the reverse complement of an encoded k-mer. // ReverseComplement computes the reverse complement of an encoded k-mer.
// The k-mer is encoded with 2 bits per nucleotide (A=00, C=01, G=10, T=11). // The k-mer is encoded with 2 bits per nucleotide (A=00, C=01, G=10, T=11).
// The complement is: A↔T (00↔11), C↔G (01↔10), which is simply XOR with 11. // The complement is: A↔T (00↔11), C↔G (01↔10), which is simply XOR with 11.

281
pkg/obikmer/entropy.go Normal file
View File

@@ -0,0 +1,281 @@
package obikmer
import "math"
// KmerEntropy computes the entropy of a single encoded k-mer.
//
// The algorithm mirrors the lowmask entropy calculation: it decodes the k-mer
// to a DNA sequence, extracts all sub-words of each size from 1 to levelMax,
// normalizes them by circular canonical form, counts their frequencies, and
// computes Shannon entropy normalized by the maximum possible entropy.
// The returned value is the minimum entropy across all word sizes.
//
// A value close to 0 indicates very low complexity (e.g. "AAAA..."),
// while a value close to 1 indicates high complexity.
//
// Parameters:
// - kmer: the encoded k-mer (2 bits per base)
// - k: the k-mer size
// - levelMax: maximum sub-word size for entropy (typically 6)
//
// Returns:
// - minimum normalized entropy across all word sizes 1..levelMax
func KmerEntropy(kmer uint64, k int, levelMax int) float64 {
if k < 1 || levelMax < 1 {
return 1.0
}
if levelMax >= k {
levelMax = k - 1
}
if levelMax < 1 {
return 1.0
}
// Decode k-mer to DNA sequence
var seqBuf [32]byte
seq := DecodeKmer(kmer, k, seqBuf[:])
// Pre-compute nLogN lookup (same as lowmask)
nLogN := make([]float64, k+1)
for i := 1; i <= k; i++ {
nLogN[i] = float64(i) * math.Log(float64(i))
}
// Build circular-canonical normalization tables per word size
normTables := make([][]int, levelMax+1)
for ws := 1; ws <= levelMax; ws++ {
size := 1 << (ws * 2)
normTables[ws] = make([]int, size)
for code := 0; code < size; code++ {
normTables[ws][code] = int(NormalizeCircular(uint64(code), ws))
}
}
minEntropy := math.MaxFloat64
for ws := 1; ws <= levelMax; ws++ {
nwords := k - ws + 1
if nwords < 1 {
continue
}
// Count circular-canonical sub-word frequencies
tableSize := 1 << (ws * 2)
table := make([]int, tableSize)
mask := (1 << (ws * 2)) - 1
wordIndex := 0
for i := 0; i < ws-1; i++ {
wordIndex = (wordIndex << 2) + int(EncodeNucleotide(seq[i]))
}
for i, j := 0, ws-1; j < k; i, j = i+1, j+1 {
wordIndex = ((wordIndex << 2) & mask) + int(EncodeNucleotide(seq[j]))
normWord := normTables[ws][wordIndex]
table[normWord]++
}
// Compute Shannon entropy
floatNwords := float64(nwords)
logNwords := math.Log(floatNwords)
var sumNLogN float64
for j := 0; j < tableSize; j++ {
n := table[j]
if n > 0 {
sumNLogN += nLogN[n]
}
}
// Compute emax (maximum possible entropy for this word size)
na := CanonicalCircularKmerCount(ws)
var emax float64
if nwords < na {
emax = math.Log(float64(nwords))
} else {
cov := nwords / na
remains := nwords - (na * cov)
f1 := float64(cov) / floatNwords
f2 := float64(cov+1) / floatNwords
emax = -(float64(na-remains)*f1*math.Log(f1) +
float64(remains)*f2*math.Log(f2))
}
if emax <= 0 {
continue
}
entropy := (logNwords - sumNLogN/floatNwords) / emax
if entropy < 0 {
entropy = 0
}
if entropy < minEntropy {
minEntropy = entropy
}
}
if minEntropy == math.MaxFloat64 {
return 1.0
}
return math.Round(minEntropy*10000) / 10000
}
// KmerEntropyFilter is a reusable entropy filter for batch processing.
// It pre-computes normalization tables and lookup values to avoid repeated
// allocation across millions of k-mers.
//
// IMPORTANT: a KmerEntropyFilter is NOT safe for concurrent use.
// Each goroutine must create its own instance via NewKmerEntropyFilter.
type KmerEntropyFilter struct {
k int
levelMax int
threshold float64
nLogN []float64
normTables [][]int
emaxValues []float64
logNwords []float64
// Pre-allocated frequency tables reused across Entropy() calls.
// One per word size (index 0 unused). Reset to zero before each use.
freqTables [][]int
}
// NewKmerEntropyFilter creates an entropy filter with pre-computed tables.
//
// Parameters:
// - k: the k-mer size
// - levelMax: maximum sub-word size for entropy (typically 6)
// - threshold: entropy threshold (k-mers with entropy <= threshold are rejected)
func NewKmerEntropyFilter(k, levelMax int, threshold float64) *KmerEntropyFilter {
if levelMax >= k {
levelMax = k - 1
}
if levelMax < 1 {
levelMax = 1
}
nLogN := make([]float64, k+1)
for i := 1; i <= k; i++ {
nLogN[i] = float64(i) * math.Log(float64(i))
}
normTables := make([][]int, levelMax+1)
for ws := 1; ws <= levelMax; ws++ {
size := 1 << (ws * 2)
normTables[ws] = make([]int, size)
for code := 0; code < size; code++ {
normTables[ws][code] = int(NormalizeCircular(uint64(code), ws))
}
}
emaxValues := make([]float64, levelMax+1)
logNwords := make([]float64, levelMax+1)
for ws := 1; ws <= levelMax; ws++ {
nw := k - ws + 1
na := CanonicalCircularKmerCount(ws)
if nw < na {
logNwords[ws] = math.Log(float64(nw))
emaxValues[ws] = math.Log(float64(nw))
} else {
cov := nw / na
remains := nw - (na * cov)
f1 := float64(cov) / float64(nw)
f2 := float64(cov+1) / float64(nw)
logNwords[ws] = math.Log(float64(nw))
emaxValues[ws] = -(float64(na-remains)*f1*math.Log(f1) +
float64(remains)*f2*math.Log(f2))
}
}
// Pre-allocate frequency tables per word size
freqTables := make([][]int, levelMax+1)
for ws := 1; ws <= levelMax; ws++ {
freqTables[ws] = make([]int, 1<<(ws*2))
}
return &KmerEntropyFilter{
k: k,
levelMax: levelMax,
threshold: threshold,
nLogN: nLogN,
normTables: normTables,
emaxValues: emaxValues,
logNwords: logNwords,
freqTables: freqTables,
}
}
// Accept returns true if the k-mer has entropy strictly above the threshold.
// Low-complexity k-mers (entropy <= threshold) are rejected.
func (ef *KmerEntropyFilter) Accept(kmer uint64) bool {
return ef.Entropy(kmer) > ef.threshold
}
// Entropy computes the entropy for a single k-mer using pre-computed tables.
func (ef *KmerEntropyFilter) Entropy(kmer uint64) float64 {
k := ef.k
// Decode k-mer to DNA sequence
var seqBuf [32]byte
seq := DecodeKmer(kmer, k, seqBuf[:])
minEntropy := math.MaxFloat64
for ws := 1; ws <= ef.levelMax; ws++ {
nwords := k - ws + 1
if nwords < 1 {
continue
}
emax := ef.emaxValues[ws]
if emax <= 0 {
continue
}
// Count circular-canonical sub-word frequencies
tableSize := 1 << (ws * 2)
table := ef.freqTables[ws]
clear(table) // reset to zero
mask := (1 << (ws * 2)) - 1
normTable := ef.normTables[ws]
wordIndex := 0
for i := 0; i < ws-1; i++ {
wordIndex = (wordIndex << 2) + int(EncodeNucleotide(seq[i]))
}
for i, j := 0, ws-1; j < k; i, j = i+1, j+1 {
wordIndex = ((wordIndex << 2) & mask) + int(EncodeNucleotide(seq[j]))
normWord := normTable[wordIndex]
table[normWord]++
}
// Compute Shannon entropy
floatNwords := float64(nwords)
logNwords := ef.logNwords[ws]
var sumNLogN float64
for j := 0; j < tableSize; j++ {
n := table[j]
if n > 0 {
sumNLogN += ef.nLogN[n]
}
}
entropy := (logNwords - sumNLogN/floatNwords) / emax
if entropy < 0 {
entropy = 0
}
if entropy < minEntropy {
minEntropy = entropy
}
}
if minEntropy == math.MaxFloat64 {
return 1.0
}
return math.Round(minEntropy*10000) / 10000
}

View File

@@ -1,310 +0,0 @@
package obikmer
import (
"fmt"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
)
// FrequencyFilter filters k-mers by minimum frequency
// Specialization of KmerSetGroup where index[i] contains k-mers seen at least i+1 times
type FrequencyFilter struct {
*KmerSetGroup // Group of KmerSet (one per frequency level)
MinFreq int // v - minimum required frequency
}
// NewFrequencyFilter creates a new frequency filter
// minFreq: minimum number d'occurrences required (v)
func NewFrequencyFilter(k, minFreq int) *FrequencyFilter {
ff := &FrequencyFilter{
KmerSetGroup: NewKmerSetGroup(k, minFreq),
MinFreq: minFreq,
}
// Initialize group metadata
ff.SetAttribute("type", "FrequencyFilter")
ff.SetAttribute("min_freq", minFreq)
// Initialize metadata for each level
for i := 0; i < minFreq; i++ {
level := ff.Get(i)
level.SetAttribute("level", i)
level.SetAttribute("min_occurrences", i+1)
level.SetId(fmt.Sprintf("level_%d", i))
}
return ff
}
// AddSequence adds all k-mers from a sequence to the filter
// Uses an iterator to avoid allocating an intermediate vector
func (ff *FrequencyFilter) AddSequence(seq *obiseq.BioSequence) {
rawSeq := seq.Sequence()
for canonical := range IterCanonicalKmers(rawSeq, ff.K()) {
ff.AddKmerCode(canonical)
}
}
// AddKmerCode adds an encoded k-mer to the filter (main algorithm)
func (ff *FrequencyFilter) AddKmerCode(kmer uint64) {
// Find the current level of the k-mer
c := 0
for c < ff.MinFreq && ff.Get(c).Contains(kmer) {
c++
}
// Add to next level (if not yet at maximum)
if c < ff.MinFreq {
ff.Get(c).AddKmerCode(kmer)
}
}
// AddCanonicalKmerCode adds an encoded canonical k-mer to the filter
func (ff *FrequencyFilter) AddCanonicalKmerCode(kmer uint64) {
canonical := CanonicalKmer(kmer, ff.K())
ff.AddKmerCode(canonical)
}
// AddKmer adds a k-mer to the filter by encoding the sequence
// The sequence must have exactly k nucleotides
// Zero-allocation: encodes directly without creating an intermediate slice
func (ff *FrequencyFilter) AddKmer(seq []byte) {
kmer := EncodeKmer(seq, ff.K())
ff.AddKmerCode(kmer)
}
// AddCanonicalKmer adds a canonical k-mer to the filter by encoding the sequence
// The sequence must have exactly k nucleotides
// Zero-allocation: encodes directly in canonical form without creating an intermediate slice
func (ff *FrequencyFilter) AddCanonicalKmer(seq []byte) {
canonical := EncodeCanonicalKmer(seq, ff.K())
ff.AddKmerCode(canonical)
}
// GetFilteredSet returns a KmerSet of k-mers with frequency ≥ minFreq
func (ff *FrequencyFilter) GetFilteredSet() *KmerSet {
// Filtered k-mers are in the last level
return ff.Get(ff.MinFreq - 1).Copy()
}
// GetKmersAtLevel returns a KmerSet of k-mers seen at least (level+1) times
// level doit être dans [0, minFreq-1]
func (ff *FrequencyFilter) GetKmersAtLevel(level int) *KmerSet {
ks := ff.Get(level)
if ks == nil {
return NewKmerSet(ff.K())
}
return ks.Copy()
}
// Stats returns statistics on frequency levels
func (ff *FrequencyFilter) Stats() FrequencyFilterStats {
stats := FrequencyFilterStats{
MinFreq: ff.MinFreq,
Levels: make([]LevelStats, ff.MinFreq),
}
for i := 0; i < ff.MinFreq; i++ {
ks := ff.Get(i)
card := ks.Len()
sizeBytes := ks.MemoryUsage()
stats.Levels[i] = LevelStats{
Level: i + 1, // Level 1 = freq ≥ 1
Cardinality: card,
SizeBytes: sizeBytes,
}
stats.TotalBytes += sizeBytes
}
// The last level contains the result
stats.FilteredKmers = stats.Levels[ff.MinFreq-1].Cardinality
return stats
}
// FrequencyFilterStats contains the filter statistics
type FrequencyFilterStats struct {
MinFreq int
FilteredKmers uint64 // K-mers with freq ≥ minFreq
TotalBytes uint64 // Total memory used
Levels []LevelStats
}
// LevelStats contains the stats of a level
type LevelStats struct {
Level int // freq ≥ Level
Cardinality uint64 // Number of k-mers
SizeBytes uint64 // Size in bytes
}
func (ffs FrequencyFilterStats) String() string {
result := fmt.Sprintf(`Frequency Filter Statistics (minFreq=%d):
Filtered k-mers (freq≥%d): %d
Total memory: %.2f MB
Level breakdown:
`, ffs.MinFreq, ffs.MinFreq, ffs.FilteredKmers, float64(ffs.TotalBytes)/1024/1024)
for _, level := range ffs.Levels {
result += fmt.Sprintf(" freq≥%d: %d k-mers (%.2f MB)\n",
level.Level,
level.Cardinality,
float64(level.SizeBytes)/1024/1024)
}
return result
}
// Clear libère la mémoire de tous les niveaux
// (héritée de KmerSetGroup mais redéfinie pour clarté)
func (ff *FrequencyFilter) Clear() {
ff.KmerSetGroup.Clear()
}
// ==================================
// BATCH PROCESSING
// ==================================
// AddSequences adds multiple sequences in batch
func (ff *FrequencyFilter) AddSequences(sequences *obiseq.BioSequenceSlice) {
for _, seq := range *sequences {
ff.AddSequence(seq)
}
}
// ==================================
// PERSISTANCE
// ==================================
// Save sauvegarde le FrequencyFilter dans un répertoire
// Utilise le format de sérialisation du KmerSetGroup sous-jacent
// Les métadonnées incluent le type "FrequencyFilter" et min_freq
//
// Format:
// - directory/metadata.{toml,yaml,json} - métadonnées du filtre
// - directory/set_0.roaring - k-mers vus ≥1 fois
// - directory/set_1.roaring - k-mers vus ≥2 fois
// - ...
// - directory/set_{minFreq-1}.roaring - k-mers vus ≥minFreq fois
//
// Parameters:
// - directory: répertoire de destination
// - format: format des métadonnées (FormatTOML, FormatYAML, FormatJSON)
//
// Example:
//
// err := ff.Save("./my_filter", obikmer.FormatTOML)
func (ff *FrequencyFilter) Save(directory string, format MetadataFormat) error {
// Déléguer à KmerSetGroup qui gère déjà tout
return ff.KmerSetGroup.Save(directory, format)
}
// LoadFrequencyFilter charge un FrequencyFilter depuis un répertoire
// Vérifie que les métadonnées correspondent à un FrequencyFilter
//
// Parameters:
// - directory: répertoire source
//
// Returns:
// - *FrequencyFilter: le filtre chargé
// - error: erreur si le chargement échoue ou si ce n'est pas un FrequencyFilter
//
// Example:
//
// ff, err := obikmer.LoadFrequencyFilter("./my_filter")
func LoadFrequencyFilter(directory string) (*FrequencyFilter, error) {
// Charger le KmerSetGroup
ksg, err := LoadKmerSetGroup(directory)
if err != nil {
return nil, err
}
// Vérifier que c'est bien un FrequencyFilter
if typeAttr, ok := ksg.GetAttribute("type"); !ok || typeAttr != "FrequencyFilter" {
return nil, fmt.Errorf("loaded data is not a FrequencyFilter (type=%v)", typeAttr)
}
// Récupérer min_freq
minFreqAttr, ok := ksg.GetIntAttribute("min_freq")
if !ok {
return nil, fmt.Errorf("FrequencyFilter missing min_freq attribute")
}
// Créer le FrequencyFilter
ff := &FrequencyFilter{
KmerSetGroup: ksg,
MinFreq: minFreqAttr,
}
return ff, nil
}
// ==================================
// UTILITAIRES
// ==================================
// Contains vérifie si un k-mer a atteint la fréquence minimale
func (ff *FrequencyFilter) Contains(kmer uint64) bool {
canonical := CanonicalKmer(kmer, ff.K())
return ff.Get(ff.MinFreq - 1).Contains(canonical)
}
// GetFrequency returns the approximate frequency of a k-mer
// Retourne le niveau maximum atteint (freq ≥ niveau)
func (ff *FrequencyFilter) GetFrequency(kmer uint64) int {
canonical := CanonicalKmer(kmer, ff.K())
freq := 0
for i := 0; i < ff.MinFreq; i++ {
if ff.Get(i).Contains(canonical) {
freq = i + 1
} else {
break
}
}
return freq
}
// Len returns the number of filtered k-mers or at a specific level
// Without argument: returns the number of k-mers with freq ≥ minFreq (last level)
// With argument level: returns the number of k-mers with freq ≥ (level+1)
// Exemple: Len() pour les k-mers filtrés, Len(2) pour freq ≥ 3
// (héritée de KmerSetGroup mais redéfinie pour la documentation)
func (ff *FrequencyFilter) Len(level ...int) uint64 {
return ff.KmerSetGroup.Len(level...)
}
// MemoryUsage returns memory usage in bytes
// (héritée de KmerSetGroup mais redéfinie pour clarté)
func (ff *FrequencyFilter) MemoryUsage() uint64 {
return ff.KmerSetGroup.MemoryUsage()
}
// ==================================
// COMPARAISON AVEC D'AUTRES APPROCHES
// ==================================
// CompareWithSimpleMap compare la mémoire avec une simple map
func (ff *FrequencyFilter) CompareWithSimpleMap() string {
totalKmers := ff.Get(0).Len()
simpleMapBytes := totalKmers * 24 // ~24 bytes par entrée
roaringBytes := ff.MemoryUsage()
reduction := float64(simpleMapBytes) / float64(roaringBytes)
return fmt.Sprintf(`Memory Comparison for %d k-mers:
Simple map[uint64]uint32: %.2f MB
Roaring filter (v=%d): %.2f MB
Reduction: %.1fx
`,
totalKmers,
float64(simpleMapBytes)/1024/1024,
ff.MinFreq,
float64(roaringBytes)/1024/1024,
reduction,
)
}

86
pkg/obikmer/kdi_merge.go Normal file
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package obikmer
import "container/heap"
// mergeItem represents an element in the min-heap for k-way merge.
type mergeItem struct {
value uint64
idx int // index of the reader that produced this value
}
// mergeHeap implements heap.Interface for k-way merge.
type mergeHeap []mergeItem
func (h mergeHeap) Len() int { return len(h) }
func (h mergeHeap) Less(i, j int) bool { return h[i].value < h[j].value }
func (h mergeHeap) Swap(i, j int) { h[i], h[j] = h[j], h[i] }
func (h *mergeHeap) Push(x interface{}) { *h = append(*h, x.(mergeItem)) }
func (h *mergeHeap) Pop() interface{} {
old := *h
n := len(old)
x := old[n-1]
*h = old[:n-1]
return x
}
// KWayMerge performs a k-way merge of multiple sorted KdiReader streams.
// For each unique k-mer value, it reports the value and the number of
// input streams that contained it (count).
type KWayMerge struct {
h mergeHeap
readers []*KdiReader
}
// NewKWayMerge creates a k-way merge from multiple KdiReaders.
// Each reader must produce values in sorted (ascending) order.
func NewKWayMerge(readers []*KdiReader) *KWayMerge {
m := &KWayMerge{
h: make(mergeHeap, 0, len(readers)),
readers: readers,
}
// Initialize heap with first value from each reader
for i, r := range readers {
if v, ok := r.Next(); ok {
m.h = append(m.h, mergeItem{value: v, idx: i})
}
}
heap.Init(&m.h)
return m
}
// Next returns the next smallest k-mer value, the number of readers
// that contained this value (count), and true.
// Returns (0, 0, false) when all streams are exhausted.
func (m *KWayMerge) Next() (kmer uint64, count int, ok bool) {
if len(m.h) == 0 {
return 0, 0, false
}
minVal := m.h[0].value
count = 0
// Pop all items with the same value
for len(m.h) > 0 && m.h[0].value == minVal {
item := heap.Pop(&m.h).(mergeItem)
count++
// Advance that reader
if v, ok := m.readers[item.idx].Next(); ok {
heap.Push(&m.h, mergeItem{value: v, idx: item.idx})
}
}
return minVal, count, true
}
// Close closes all underlying readers.
func (m *KWayMerge) Close() error {
var firstErr error
for _, r := range m.readers {
if err := r.Close(); err != nil && firstErr == nil {
firstErr = err
}
}
return firstErr
}

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package obikmer
import (
"path/filepath"
"testing"
)
// writeKdi is a helper that writes sorted kmers to a .kdi file.
func writeKdi(t *testing.T, dir, name string, kmers []uint64) string {
t.Helper()
path := filepath.Join(dir, name)
w, err := NewKdiWriter(path)
if err != nil {
t.Fatal(err)
}
for _, v := range kmers {
if err := w.Write(v); err != nil {
t.Fatal(err)
}
}
if err := w.Close(); err != nil {
t.Fatal(err)
}
return path
}
func TestKWayMergeBasic(t *testing.T) {
dir := t.TempDir()
// Three sorted streams
p1 := writeKdi(t, dir, "a.kdi", []uint64{1, 3, 5, 7})
p2 := writeKdi(t, dir, "b.kdi", []uint64{2, 3, 6, 7})
p3 := writeKdi(t, dir, "c.kdi", []uint64{3, 4, 7, 8})
r1, _ := NewKdiReader(p1)
r2, _ := NewKdiReader(p2)
r3, _ := NewKdiReader(p3)
m := NewKWayMerge([]*KdiReader{r1, r2, r3})
defer m.Close()
type result struct {
kmer uint64
count int
}
var results []result
for {
kmer, count, ok := m.Next()
if !ok {
break
}
results = append(results, result{kmer, count})
}
expected := []result{
{1, 1}, {2, 1}, {3, 3}, {4, 1}, {5, 1}, {6, 1}, {7, 3}, {8, 1},
}
if len(results) != len(expected) {
t.Fatalf("got %d results, want %d", len(results), len(expected))
}
for i, exp := range expected {
if results[i] != exp {
t.Errorf("result %d: got %+v, want %+v", i, results[i], exp)
}
}
}
func TestKWayMergeSingleStream(t *testing.T) {
dir := t.TempDir()
p := writeKdi(t, dir, "a.kdi", []uint64{10, 20, 30})
r, _ := NewKdiReader(p)
m := NewKWayMerge([]*KdiReader{r})
defer m.Close()
vals := []uint64{10, 20, 30}
for _, expected := range vals {
kmer, count, ok := m.Next()
if !ok {
t.Fatal("unexpected EOF")
}
if kmer != expected || count != 1 {
t.Fatalf("got (%d, %d), want (%d, 1)", kmer, count, expected)
}
}
_, _, ok := m.Next()
if ok {
t.Fatal("expected EOF")
}
}
func TestKWayMergeEmpty(t *testing.T) {
dir := t.TempDir()
p1 := writeKdi(t, dir, "a.kdi", nil)
p2 := writeKdi(t, dir, "b.kdi", nil)
r1, _ := NewKdiReader(p1)
r2, _ := NewKdiReader(p2)
m := NewKWayMerge([]*KdiReader{r1, r2})
defer m.Close()
_, _, ok := m.Next()
if ok {
t.Fatal("expected no results from empty streams")
}
}
func TestKWayMergeDisjoint(t *testing.T) {
dir := t.TempDir()
p1 := writeKdi(t, dir, "a.kdi", []uint64{1, 2, 3})
p2 := writeKdi(t, dir, "b.kdi", []uint64{10, 20, 30})
r1, _ := NewKdiReader(p1)
r2, _ := NewKdiReader(p2)
m := NewKWayMerge([]*KdiReader{r1, r2})
defer m.Close()
expected := []uint64{1, 2, 3, 10, 20, 30}
for _, exp := range expected {
kmer, count, ok := m.Next()
if !ok {
t.Fatal("unexpected EOF")
}
if kmer != exp || count != 1 {
t.Fatalf("got (%d, %d), want (%d, 1)", kmer, count, exp)
}
}
}
func TestKWayMergeAllSame(t *testing.T) {
dir := t.TempDir()
p1 := writeKdi(t, dir, "a.kdi", []uint64{42})
p2 := writeKdi(t, dir, "b.kdi", []uint64{42})
p3 := writeKdi(t, dir, "c.kdi", []uint64{42})
r1, _ := NewKdiReader(p1)
r2, _ := NewKdiReader(p2)
r3, _ := NewKdiReader(p3)
m := NewKWayMerge([]*KdiReader{r1, r2, r3})
defer m.Close()
kmer, count, ok := m.Next()
if !ok {
t.Fatal("expected one result")
}
if kmer != 42 || count != 3 {
t.Fatalf("got (%d, %d), want (42, 3)", kmer, count)
}
_, _, ok = m.Next()
if ok {
t.Fatal("expected EOF")
}
}

170
pkg/obikmer/kdi_reader.go Normal file
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package obikmer
import (
"bufio"
"encoding/binary"
"fmt"
"io"
"os"
)
// KdiReader reads k-mers from a .kdi file using streaming delta-varint decoding.
type KdiReader struct {
r *bufio.Reader
file *os.File
count uint64 // total number of k-mers
read uint64 // number of k-mers already consumed
prev uint64 // last decoded value
started bool // whether first value has been read
index *KdxIndex // optional sparse index for seeking
}
// NewKdiReader opens a .kdi file for streaming reading (no index).
func NewKdiReader(path string) (*KdiReader, error) {
return openKdiReader(path, nil)
}
// NewKdiIndexedReader opens a .kdi file with its companion .kdx index
// loaded for fast seeking. If the .kdx file does not exist, it gracefully
// falls back to sequential reading.
func NewKdiIndexedReader(path string) (*KdiReader, error) {
kdxPath := KdxPathForKdi(path)
idx, err := LoadKdxIndex(kdxPath)
if err != nil {
// Index load failed — fall back to non-indexed
return openKdiReader(path, nil)
}
// idx may be nil if file does not exist — that's fine
return openKdiReader(path, idx)
}
func openKdiReader(path string, idx *KdxIndex) (*KdiReader, error) {
f, err := os.Open(path)
if err != nil {
return nil, err
}
r := bufio.NewReaderSize(f, 65536)
// Read and verify magic
var magic [4]byte
if _, err := io.ReadFull(r, magic[:]); err != nil {
f.Close()
return nil, fmt.Errorf("kdi: read magic: %w", err)
}
if magic != kdiMagic {
f.Close()
return nil, fmt.Errorf("kdi: bad magic %v", magic)
}
// Read count
var countBuf [8]byte
if _, err := io.ReadFull(r, countBuf[:]); err != nil {
f.Close()
return nil, fmt.Errorf("kdi: read count: %w", err)
}
count := binary.LittleEndian.Uint64(countBuf[:])
return &KdiReader{
r: r,
file: f,
count: count,
index: idx,
}, nil
}
// Next returns the next k-mer and true, or (0, false) when exhausted.
func (kr *KdiReader) Next() (uint64, bool) {
if kr.read >= kr.count {
return 0, false
}
if !kr.started {
// Read first value as absolute uint64 LE
var buf [8]byte
if _, err := io.ReadFull(kr.r, buf[:]); err != nil {
return 0, false
}
kr.prev = binary.LittleEndian.Uint64(buf[:])
kr.started = true
kr.read++
return kr.prev, true
}
// Read delta varint
delta, err := DecodeVarint(kr.r)
if err != nil {
return 0, false
}
kr.prev += delta
kr.read++
return kr.prev, true
}
// SeekTo positions the reader near the target k-mer using the sparse .kdx index.
// After SeekTo, the reader is positioned so that the next call to Next()
// returns the k-mer immediately after the indexed entry at or before target.
//
// If the reader has no index, or the target is before the current position,
// SeekTo does nothing (linear scan continues from current position).
func (kr *KdiReader) SeekTo(target uint64) error {
if kr.index == nil {
return nil
}
// If we've already passed the target, we can't seek backwards
if kr.started && kr.prev >= target {
return nil
}
offset, skipCount, ok := kr.index.FindOffset(target)
if !ok {
return nil
}
// skipCount is the number of k-mers consumed at the indexed position.
// The index was recorded AFTER writing the k-mer at position skipCount-1
// (since count%stride==0 after incrementing count). So the actual number
// of k-mers consumed is skipCount (the entry's kmer is the last one
// before the offset).
// Only seek if it would skip significant work
if kr.started && skipCount <= kr.read {
return nil
}
// The index entry stores (kmer_value, byte_offset_after_that_kmer).
// skipCount = (entryIdx+1)*stride, so entryIdx = skipCount/stride - 1
// We seek to that offset, set prev = indexedKmer, and the next Next()
// call will read the delta-varint of the following k-mer.
entryIdx := int(skipCount)/kr.index.stride - 1
if entryIdx < 0 || entryIdx >= len(kr.index.entries) {
return nil
}
indexedKmer := kr.index.entries[entryIdx].kmer
if _, err := kr.file.Seek(int64(offset), io.SeekStart); err != nil {
return fmt.Errorf("kdi: seek: %w", err)
}
kr.r.Reset(kr.file)
kr.prev = indexedKmer
kr.started = true
kr.read = skipCount
return nil
}
// Count returns the total number of k-mers in this partition.
func (kr *KdiReader) Count() uint64 {
return kr.count
}
// Remaining returns how many k-mers have not been read yet.
func (kr *KdiReader) Remaining() uint64 {
return kr.count - kr.read
}
// Close closes the underlying file.
func (kr *KdiReader) Close() error {
return kr.file.Close()
}

255
pkg/obikmer/kdi_test.go Normal file
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package obikmer
import (
"os"
"path/filepath"
"sort"
"testing"
)
func TestKdiRoundTrip(t *testing.T) {
dir := t.TempDir()
path := filepath.Join(dir, "test.kdi")
// Sorted k-mer values
kmers := []uint64{10, 20, 30, 100, 200, 500, 10000, 1 << 40, 1<<62 - 1}
w, err := NewKdiWriter(path)
if err != nil {
t.Fatal(err)
}
for _, v := range kmers {
if err := w.Write(v); err != nil {
t.Fatal(err)
}
}
if w.Count() != uint64(len(kmers)) {
t.Fatalf("writer count: got %d, want %d", w.Count(), len(kmers))
}
if err := w.Close(); err != nil {
t.Fatal(err)
}
// Read back
r, err := NewKdiReader(path)
if err != nil {
t.Fatal(err)
}
defer r.Close()
if r.Count() != uint64(len(kmers)) {
t.Fatalf("reader count: got %d, want %d", r.Count(), len(kmers))
}
for i, expected := range kmers {
got, ok := r.Next()
if !ok {
t.Fatalf("unexpected EOF at index %d", i)
}
if got != expected {
t.Fatalf("kmer %d: got %d, want %d", i, got, expected)
}
}
_, ok := r.Next()
if ok {
t.Fatal("expected EOF after all k-mers")
}
}
func TestKdiEmpty(t *testing.T) {
dir := t.TempDir()
path := filepath.Join(dir, "empty.kdi")
w, err := NewKdiWriter(path)
if err != nil {
t.Fatal(err)
}
if err := w.Close(); err != nil {
t.Fatal(err)
}
r, err := NewKdiReader(path)
if err != nil {
t.Fatal(err)
}
defer r.Close()
if r.Count() != 0 {
t.Fatalf("expected count 0, got %d", r.Count())
}
_, ok := r.Next()
if ok {
t.Fatal("expected no k-mers in empty file")
}
}
func TestKdiSingleValue(t *testing.T) {
dir := t.TempDir()
path := filepath.Join(dir, "single.kdi")
w, err := NewKdiWriter(path)
if err != nil {
t.Fatal(err)
}
if err := w.Write(42); err != nil {
t.Fatal(err)
}
if err := w.Close(); err != nil {
t.Fatal(err)
}
r, err := NewKdiReader(path)
if err != nil {
t.Fatal(err)
}
defer r.Close()
if r.Count() != 1 {
t.Fatalf("expected count 1, got %d", r.Count())
}
v, ok := r.Next()
if !ok {
t.Fatal("expected one k-mer")
}
if v != 42 {
t.Fatalf("got %d, want 42", v)
}
}
func TestKdiFileSize(t *testing.T) {
dir := t.TempDir()
path := filepath.Join(dir, "size.kdi")
// Write: magic(4) + count(8) + first(8) = 20 bytes
w, err := NewKdiWriter(path)
if err != nil {
t.Fatal(err)
}
if err := w.Write(0); err != nil {
t.Fatal(err)
}
if err := w.Close(); err != nil {
t.Fatal(err)
}
info, err := os.Stat(path)
if err != nil {
t.Fatal(err)
}
// magic(4) + count(8) + first(8) = 20
if info.Size() != 20 {
t.Fatalf("file size: got %d, want 20", info.Size())
}
}
func TestKdiDeltaCompression(t *testing.T) {
dir := t.TempDir()
path := filepath.Join(dir, "delta.kdi")
// Dense consecutive values should compress well
n := 10000
kmers := make([]uint64, n)
for i := range kmers {
kmers[i] = uint64(i * 2) // even numbers
}
w, err := NewKdiWriter(path)
if err != nil {
t.Fatal(err)
}
for _, v := range kmers {
if err := w.Write(v); err != nil {
t.Fatal(err)
}
}
if err := w.Close(); err != nil {
t.Fatal(err)
}
// Each delta is 2, encoded as 1 byte varint
// Total: magic(4) + count(8) + first(8) + (n-1)*1 = 20 + 9999 bytes
info, err := os.Stat(path)
if err != nil {
t.Fatal(err)
}
expected := int64(20 + n - 1)
if info.Size() != expected {
t.Fatalf("file size: got %d, want %d", info.Size(), expected)
}
// Verify round-trip
r, err := NewKdiReader(path)
if err != nil {
t.Fatal(err)
}
defer r.Close()
for i, expected := range kmers {
got, ok := r.Next()
if !ok {
t.Fatalf("unexpected EOF at index %d", i)
}
if got != expected {
t.Fatalf("kmer %d: got %d, want %d", i, got, expected)
}
}
}
func TestKdiFromRealKmers(t *testing.T) {
dir := t.TempDir()
path := filepath.Join(dir, "real.kdi")
// Extract k-mers from a sequence, sort, dedup, write to KDI
seq := []byte("ACGTACGTACGTACGTACGTACGTACGTACGTACGTACGT")
k := 15
var kmers []uint64
for kmer := range IterCanonicalKmers(seq, k) {
kmers = append(kmers, kmer)
}
sort.Slice(kmers, func(i, j int) bool { return kmers[i] < kmers[j] })
// Dedup
deduped := kmers[:0]
for i, v := range kmers {
if i == 0 || v != kmers[i-1] {
deduped = append(deduped, v)
}
}
w, err := NewKdiWriter(path)
if err != nil {
t.Fatal(err)
}
for _, v := range deduped {
if err := w.Write(v); err != nil {
t.Fatal(err)
}
}
if err := w.Close(); err != nil {
t.Fatal(err)
}
// Read back and verify
r, err := NewKdiReader(path)
if err != nil {
t.Fatal(err)
}
defer r.Close()
if r.Count() != uint64(len(deduped)) {
t.Fatalf("count: got %d, want %d", r.Count(), len(deduped))
}
for i, expected := range deduped {
got, ok := r.Next()
if !ok {
t.Fatalf("unexpected EOF at index %d", i)
}
if got != expected {
t.Fatalf("kmer %d: got %d, want %d", i, got, expected)
}
}
}

151
pkg/obikmer/kdi_writer.go Normal file
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package obikmer
import (
"bufio"
"encoding/binary"
"os"
)
// KDI file magic bytes: "KDI\x01"
var kdiMagic = [4]byte{'K', 'D', 'I', 0x01}
// kdiHeaderSize is the size of the KDI header: magic(4) + count(8) = 12 bytes.
const kdiHeaderSize = 12
// KdiWriter writes a sorted sequence of uint64 k-mers to a .kdi file
// using delta-varint encoding.
//
// Format:
//
// [magic: 4 bytes "KDI\x01"]
// [count: uint64 LE] number of k-mers
// [first: uint64 LE] first k-mer (absolute value)
// [delta_1: varint] arr[1] - arr[0]
// [delta_2: varint] arr[2] - arr[1]
// ...
//
// The caller must write k-mers in strictly increasing order.
//
// On Close(), a companion .kdx sparse index file is written alongside
// the .kdi file for fast random access.
type KdiWriter struct {
w *bufio.Writer
file *os.File
count uint64
prev uint64
first bool
path string
bytesWritten uint64 // bytes written after header (data section offset)
indexEntries []kdxEntry // sparse index entries collected during writes
}
// NewKdiWriter creates a new KdiWriter writing to the given file path.
// The header (magic + count placeholder) is written immediately.
// Count is patched on Close().
func NewKdiWriter(path string) (*KdiWriter, error) {
f, err := os.Create(path)
if err != nil {
return nil, err
}
w := bufio.NewWriterSize(f, 65536)
// Write magic
if _, err := w.Write(kdiMagic[:]); err != nil {
f.Close()
return nil, err
}
// Write placeholder for count (will be patched on Close)
var countBuf [8]byte
if _, err := w.Write(countBuf[:]); err != nil {
f.Close()
return nil, err
}
return &KdiWriter{
w: w,
file: f,
first: true,
path: path,
bytesWritten: 0,
indexEntries: make([]kdxEntry, 0, 256),
}, nil
}
// Write adds a k-mer to the file. K-mers must be written in strictly
// increasing order.
func (kw *KdiWriter) Write(kmer uint64) error {
if kw.first {
// Write first value as absolute uint64 LE
var buf [8]byte
binary.LittleEndian.PutUint64(buf[:], kmer)
if _, err := kw.w.Write(buf[:]); err != nil {
return err
}
kw.bytesWritten += 8
kw.prev = kmer
kw.first = false
} else {
delta := kmer - kw.prev
n, err := EncodeVarint(kw.w, delta)
if err != nil {
return err
}
kw.bytesWritten += uint64(n)
kw.prev = kmer
}
kw.count++
// Record sparse index entry every defaultKdxStride k-mers.
// The offset recorded is AFTER writing this k-mer, so it points to
// where the next k-mer's data will start. SeekTo uses this: it seeks
// to the recorded offset, sets prev = indexedKmer, and Next() reads
// the delta of the following k-mer.
if kw.count%defaultKdxStride == 0 {
kw.indexEntries = append(kw.indexEntries, kdxEntry{
kmer: kmer,
offset: kdiHeaderSize + kw.bytesWritten,
})
}
return nil
}
// Count returns the number of k-mers written so far.
func (kw *KdiWriter) Count() uint64 {
return kw.count
}
// Close flushes buffered data, patches the count in the header,
// writes the companion .kdx index file, and closes the file.
func (kw *KdiWriter) Close() error {
if err := kw.w.Flush(); err != nil {
kw.file.Close()
return err
}
// Patch count at offset 4 (after magic)
if _, err := kw.file.Seek(4, 0); err != nil {
kw.file.Close()
return err
}
var countBuf [8]byte
binary.LittleEndian.PutUint64(countBuf[:], kw.count)
if _, err := kw.file.Write(countBuf[:]); err != nil {
kw.file.Close()
return err
}
if err := kw.file.Close(); err != nil {
return err
}
// Write .kdx index file if there are entries to index
if len(kw.indexEntries) > 0 {
kdxPath := KdxPathForKdi(kw.path)
if err := WriteKdxIndex(kdxPath, defaultKdxStride, kw.indexEntries); err != nil {
return err
}
}
return nil
}

170
pkg/obikmer/kdx.go Normal file
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package obikmer
import (
"encoding/binary"
"fmt"
"io"
"os"
"sort"
"strings"
)
// KDX file magic bytes: "KDX\x01"
var kdxMagic = [4]byte{'K', 'D', 'X', 0x01}
// defaultKdxStride is the number of k-mers between consecutive index entries.
const defaultKdxStride = 4096
// kdxEntry is a single entry in the sparse index: the absolute k-mer value
// and the byte offset in the corresponding .kdi file where that k-mer is stored.
type kdxEntry struct {
kmer uint64
offset uint64 // absolute byte offset in .kdi file
}
// KdxIndex is a sparse, in-memory index for a .kdi file.
// It stores one entry every `stride` k-mers, enabling O(log N / stride)
// binary search followed by at most `stride` linear scan steps.
type KdxIndex struct {
stride int
entries []kdxEntry
}
// LoadKdxIndex reads a .kdx file into memory.
// Returns (nil, nil) if the file does not exist (graceful degradation).
func LoadKdxIndex(path string) (*KdxIndex, error) {
f, err := os.Open(path)
if err != nil {
if os.IsNotExist(err) {
return nil, nil
}
return nil, err
}
defer f.Close()
// Read magic
var magic [4]byte
if _, err := io.ReadFull(f, magic[:]); err != nil {
return nil, fmt.Errorf("kdx: read magic: %w", err)
}
if magic != kdxMagic {
return nil, fmt.Errorf("kdx: bad magic %v", magic)
}
// Read stride (uint32 LE)
var buf4 [4]byte
if _, err := io.ReadFull(f, buf4[:]); err != nil {
return nil, fmt.Errorf("kdx: read stride: %w", err)
}
stride := int(binary.LittleEndian.Uint32(buf4[:]))
// Read count (uint32 LE)
if _, err := io.ReadFull(f, buf4[:]); err != nil {
return nil, fmt.Errorf("kdx: read count: %w", err)
}
count := int(binary.LittleEndian.Uint32(buf4[:]))
// Read entries
entries := make([]kdxEntry, count)
var buf16 [16]byte
for i := 0; i < count; i++ {
if _, err := io.ReadFull(f, buf16[:]); err != nil {
return nil, fmt.Errorf("kdx: read entry %d: %w", i, err)
}
entries[i] = kdxEntry{
kmer: binary.LittleEndian.Uint64(buf16[0:8]),
offset: binary.LittleEndian.Uint64(buf16[8:16]),
}
}
return &KdxIndex{
stride: stride,
entries: entries,
}, nil
}
// FindOffset locates the best starting point in the .kdi file to scan for
// the target k-mer. It returns:
// - offset: the byte offset in the .kdi file to seek to (positioned after
// the indexed k-mer, ready to read the next delta)
// - skipCount: the number of k-mers already consumed at that offset
// (to set the reader's internal counter)
// - ok: true if the index provides a useful starting point
//
// Index entries are recorded at k-mer count positions stride, 2*stride, etc.
// Entry i corresponds to the k-mer written at count = (i+1)*stride.
func (idx *KdxIndex) FindOffset(target uint64) (offset uint64, skipCount uint64, ok bool) {
if idx == nil || len(idx.entries) == 0 {
return 0, 0, false
}
// Binary search: find the largest entry with kmer <= target
i := sort.Search(len(idx.entries), func(i int) bool {
return idx.entries[i].kmer > target
})
// i is the first entry with kmer > target, so i-1 is the last with kmer <= target
if i == 0 {
// Target is before the first index entry.
// No useful jump point — caller should scan from the beginning.
return 0, 0, false
}
i-- // largest entry with kmer <= target
// Entry i was recorded after writing k-mer at count = (i+1)*stride
skipCount = uint64(i+1) * uint64(idx.stride)
return idx.entries[i].offset, skipCount, true
}
// Stride returns the stride of this index.
func (idx *KdxIndex) Stride() int {
return idx.stride
}
// Len returns the number of entries in this index.
func (idx *KdxIndex) Len() int {
return len(idx.entries)
}
// WriteKdxIndex writes a .kdx file from a slice of entries.
func WriteKdxIndex(path string, stride int, entries []kdxEntry) error {
f, err := os.Create(path)
if err != nil {
return err
}
defer f.Close()
// Magic
if _, err := f.Write(kdxMagic[:]); err != nil {
return err
}
// Stride (uint32 LE)
var buf4 [4]byte
binary.LittleEndian.PutUint32(buf4[:], uint32(stride))
if _, err := f.Write(buf4[:]); err != nil {
return err
}
// Count (uint32 LE)
binary.LittleEndian.PutUint32(buf4[:], uint32(len(entries)))
if _, err := f.Write(buf4[:]); err != nil {
return err
}
// Entries
var buf16 [16]byte
for _, e := range entries {
binary.LittleEndian.PutUint64(buf16[0:8], e.kmer)
binary.LittleEndian.PutUint64(buf16[8:16], e.offset)
if _, err := f.Write(buf16[:]); err != nil {
return err
}
}
return nil
}
// KdxPathForKdi returns the .kdx path corresponding to a .kdi path.
func KdxPathForKdi(kdiPath string) string {
return strings.TrimSuffix(kdiPath, ".kdi") + ".kdx"
}

256
pkg/obikmer/kmer_match.go Normal file
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package obikmer
import (
"cmp"
"slices"
"sync"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
)
// QueryEntry represents a canonical k-mer to look up, together with
// metadata to trace the result back to the originating sequence and position.
type QueryEntry struct {
Kmer uint64 // canonical k-mer value
SeqIdx int // index within the batch
Pos int // 1-based position in the sequence
}
// MatchResult holds matched positions for each sequence in a batch.
// results[i] contains the sorted matched positions for sequence i.
type MatchResult [][]int
// PreparedQueries holds pre-computed query buckets along with the number
// of sequences they were built from. This is used by the accumulation
// pipeline to merge queries from multiple batches.
type PreparedQueries struct {
Buckets [][]QueryEntry // queries[partition], each sorted by Kmer
NSeqs int // number of sequences that produced these queries
NKmers int // total number of k-mer entries across all partitions
}
// MergeQueries merges src into dst, offsetting all SeqIdx values in src
// by dst.NSeqs. Both dst and src must have the same number of partitions.
// After merging, src should not be reused.
//
// Each partition's entries are merged in sorted order (merge-sort of two
// already-sorted slices).
func MergeQueries(dst, src *PreparedQueries) {
for p := range dst.Buckets {
if len(src.Buckets[p]) == 0 {
continue
}
offset := dst.NSeqs
srcB := src.Buckets[p]
// Offset SeqIdx in src entries
for i := range srcB {
srcB[i].SeqIdx += offset
}
if len(dst.Buckets[p]) == 0 {
dst.Buckets[p] = srcB
continue
}
// Merge two sorted slices
dstB := dst.Buckets[p]
merged := make([]QueryEntry, 0, len(dstB)+len(srcB))
i, j := 0, 0
for i < len(dstB) && j < len(srcB) {
if dstB[i].Kmer <= srcB[j].Kmer {
merged = append(merged, dstB[i])
i++
} else {
merged = append(merged, srcB[j])
j++
}
}
merged = append(merged, dstB[i:]...)
merged = append(merged, srcB[j:]...)
dst.Buckets[p] = merged
}
dst.NSeqs += src.NSeqs
dst.NKmers += src.NKmers
}
// PrepareQueries extracts all canonical k-mers from a batch of sequences
// and groups them by partition using super-kmer minimizers.
//
// Returns a PreparedQueries with sorted per-partition buckets.
func (ksg *KmerSetGroup) PrepareQueries(sequences []*obiseq.BioSequence) *PreparedQueries {
P := ksg.partitions
k := ksg.k
m := ksg.m
// Pre-allocate partition buckets
buckets := make([][]QueryEntry, P)
for i := range buckets {
buckets[i] = make([]QueryEntry, 0, 64)
}
totalKmers := 0
for seqIdx, seq := range sequences {
bseq := seq.Sequence()
if len(bseq) < k {
continue
}
// Iterate super-kmers to get minimizer → partition mapping
for sk := range IterSuperKmers(bseq, k, m) {
partition := int(sk.Minimizer % uint64(P))
// Iterate canonical k-mers within this super-kmer
skSeq := sk.Sequence
if len(skSeq) < k {
continue
}
localPos := 0
for kmer := range IterCanonicalKmers(skSeq, k) {
buckets[partition] = append(buckets[partition], QueryEntry{
Kmer: kmer,
SeqIdx: seqIdx,
Pos: sk.Start + localPos + 1,
})
localPos++
totalKmers++
}
}
}
// Sort each bucket by k-mer value for merge-scan
for p := range buckets {
slices.SortFunc(buckets[p], func(a, b QueryEntry) int {
return cmp.Compare(a.Kmer, b.Kmer)
})
}
return &PreparedQueries{
Buckets: buckets,
NSeqs: len(sequences),
NKmers: totalKmers,
}
}
// MatchBatch looks up pre-sorted queries against one set of the index.
// Partitions are processed in parallel. For each partition, a merge-scan
// compares the sorted queries against the sorted KDI stream.
//
// Returns a MatchResult where result[i] contains sorted matched positions
// for sequence i.
func (ksg *KmerSetGroup) MatchBatch(setIndex int, pq *PreparedQueries) MatchResult {
P := ksg.partitions
// Pre-allocated per-sequence results and mutexes.
// Each partition goroutine appends to results[seqIdx] with mus[seqIdx] held.
// Contention is low: a sequence's k-mers span many partitions, but each
// partition processes its queries sequentially and the critical section is tiny.
results := make([][]int, pq.NSeqs)
mus := make([]sync.Mutex, pq.NSeqs)
var wg sync.WaitGroup
for p := 0; p < P; p++ {
if len(pq.Buckets[p]) == 0 {
continue
}
wg.Add(1)
go func(part int) {
defer wg.Done()
ksg.matchPartition(setIndex, part, pq.Buckets[part], results, mus)
}(p)
}
wg.Wait()
// Sort positions within each sequence
for i := range results {
if len(results[i]) > 1 {
slices.Sort(results[i])
}
}
return MatchResult(results)
}
// matchPartition processes one partition: opens the KDI reader (with index),
// seeks to the first query, then merge-scans queries against the KDI stream.
func (ksg *KmerSetGroup) matchPartition(
setIndex int,
partIndex int,
queries []QueryEntry, // sorted by Kmer
results [][]int,
mus []sync.Mutex,
) {
r, err := NewKdiIndexedReader(ksg.partitionPath(setIndex, partIndex))
if err != nil {
return
}
defer r.Close()
if r.Count() == 0 || len(queries) == 0 {
return
}
// Seek to the first query's neighborhood
if err := r.SeekTo(queries[0].Kmer); err != nil {
return
}
// Read first kmer from the stream after seek
currentKmer, ok := r.Next()
if !ok {
return
}
qi := 0 // query index
for qi < len(queries) {
q := queries[qi]
// If the next query is far ahead, re-seek instead of linear scan.
// Only seek if we'd skip more k-mers than the index stride,
// otherwise linear scan through the buffer is faster than a syscall.
if r.index != nil && q.Kmer > currentKmer && r.Remaining() > uint64(r.index.stride) {
_, skipCount, found := r.index.FindOffset(q.Kmer)
if found && skipCount > r.read+uint64(r.index.stride) {
if err := r.SeekTo(q.Kmer); err == nil {
nextKmer, nextOk := r.Next()
if !nextOk {
return
}
currentKmer = nextKmer
ok = true
}
}
}
// Advance KDI stream until >= query kmer
for currentKmer < q.Kmer {
currentKmer, ok = r.Next()
if !ok {
return // KDI exhausted
}
}
if currentKmer == q.Kmer {
// Match! Record all queries with this same k-mer value
matchedKmer := q.Kmer
for qi < len(queries) && queries[qi].Kmer == matchedKmer {
idx := queries[qi].SeqIdx
mus[idx].Lock()
results[idx] = append(results[idx], queries[qi].Pos)
mus[idx].Unlock()
qi++
}
} else {
// currentKmer > q.Kmer: skip all queries with this kmer value
skippedKmer := q.Kmer
for qi < len(queries) && queries[qi].Kmer == skippedKmer {
qi++
}
}
}
}

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@@ -1,217 +0,0 @@
package obikmer
import (
"fmt"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
"github.com/RoaringBitmap/roaring/roaring64"
)
// KmerSet wraps a set of k-mers stored in a Roaring Bitmap
// Provides utility methods for manipulating k-mer sets
type KmerSet struct {
id string // Unique identifier of the KmerSet
k int // Size of k-mers (immutable)
bitmap *roaring64.Bitmap // Bitmap containing the k-mers
Metadata map[string]interface{} // User metadata (key=atomic value)
}
// NewKmerSet creates a new empty KmerSet
func NewKmerSet(k int) *KmerSet {
return &KmerSet{
k: k,
bitmap: roaring64.New(),
Metadata: make(map[string]interface{}),
}
}
// NewKmerSetFromBitmap creates a KmerSet from an existing bitmap
func NewKmerSetFromBitmap(k int, bitmap *roaring64.Bitmap) *KmerSet {
return &KmerSet{
k: k,
bitmap: bitmap,
Metadata: make(map[string]interface{}),
}
}
// K returns the size of k-mers (immutable)
func (ks *KmerSet) K() int {
return ks.k
}
// AddKmerCode adds an encoded k-mer to the set
func (ks *KmerSet) AddKmerCode(kmer uint64) {
ks.bitmap.Add(kmer)
}
// AddCanonicalKmerCode adds an encoded canonical k-mer to the set
func (ks *KmerSet) AddCanonicalKmerCode(kmer uint64) {
canonical := CanonicalKmer(kmer, ks.k)
ks.bitmap.Add(canonical)
}
// AddKmer adds a k-mer to the set by encoding the sequence
// The sequence must have exactly k nucleotides
// Zero-allocation: encodes directly without creating an intermediate slice
func (ks *KmerSet) AddKmer(seq []byte) {
kmer := EncodeKmer(seq, ks.k)
ks.bitmap.Add(kmer)
}
// AddCanonicalKmer adds a canonical k-mer to the set by encoding the sequence
// The sequence must have exactly k nucleotides
// Zero-allocation: encodes directly in canonical form without creating an intermediate slice
func (ks *KmerSet) AddCanonicalKmer(seq []byte) {
canonical := EncodeCanonicalKmer(seq, ks.k)
ks.bitmap.Add(canonical)
}
// AddSequence adds all k-mers from a sequence to the set
// Uses an iterator to avoid allocating an intermediate vector
func (ks *KmerSet) AddSequence(seq *obiseq.BioSequence) {
rawSeq := seq.Sequence()
for canonical := range IterCanonicalKmers(rawSeq, ks.k) {
ks.bitmap.Add(canonical)
}
}
// AddSequences adds all k-mers from multiple sequences in batch
func (ks *KmerSet) AddSequences(sequences *obiseq.BioSequenceSlice) {
for _, seq := range *sequences {
ks.AddSequence(seq)
}
}
// Contains checks if a k-mer is in the set
func (ks *KmerSet) Contains(kmer uint64) bool {
return ks.bitmap.Contains(kmer)
}
// Len returns the number of k-mers in the set
func (ks *KmerSet) Len() uint64 {
return ks.bitmap.GetCardinality()
}
// MemoryUsage returns memory usage in bytes
func (ks *KmerSet) MemoryUsage() uint64 {
return ks.bitmap.GetSizeInBytes()
}
// Clear empties the set
func (ks *KmerSet) Clear() {
ks.bitmap.Clear()
}
// Copy creates a copy of the set (consistent with BioSequence.Copy)
func (ks *KmerSet) Copy() *KmerSet {
// Copy metadata
metadata := make(map[string]interface{}, len(ks.Metadata))
for k, v := range ks.Metadata {
metadata[k] = v
}
return &KmerSet{
id: ks.id,
k: ks.k,
bitmap: ks.bitmap.Clone(),
Metadata: metadata,
}
}
// Id returns the identifier of the KmerSet (consistent with BioSequence.Id)
func (ks *KmerSet) Id() string {
return ks.id
}
// SetId sets the identifier of the KmerSet (consistent with BioSequence.SetId)
func (ks *KmerSet) SetId(id string) {
ks.id = id
}
// Union returns the union of this set with another
func (ks *KmerSet) Union(other *KmerSet) *KmerSet {
if ks.k != other.k {
panic(fmt.Sprintf("Cannot union KmerSets with different k values: %d vs %d", ks.k, other.k))
}
result := ks.bitmap.Clone()
result.Or(other.bitmap)
return NewKmerSetFromBitmap(ks.k, result)
}
// Intersect returns the intersection of this set with another
func (ks *KmerSet) Intersect(other *KmerSet) *KmerSet {
if ks.k != other.k {
panic(fmt.Sprintf("Cannot intersect KmerSets with different k values: %d vs %d", ks.k, other.k))
}
result := ks.bitmap.Clone()
result.And(other.bitmap)
return NewKmerSetFromBitmap(ks.k, result)
}
// Difference returns the difference of this set with another (this - other)
func (ks *KmerSet) Difference(other *KmerSet) *KmerSet {
if ks.k != other.k {
panic(fmt.Sprintf("Cannot subtract KmerSets with different k values: %d vs %d", ks.k, other.k))
}
result := ks.bitmap.Clone()
result.AndNot(other.bitmap)
return NewKmerSetFromBitmap(ks.k, result)
}
// JaccardDistance computes the Jaccard distance between two KmerSets.
// The Jaccard distance is defined as: 1 - (|A ∩ B| / |A B|)
// where A and B are the two sets.
//
// Returns:
// - 0.0 when sets are identical (distance = 0, similarity = 1)
// - 1.0 when sets are completely disjoint (distance = 1, similarity = 0)
// - 1.0 when both sets are empty (by convention)
//
// Time complexity: O(|A| + |B|) for Roaring Bitmap operations
// Space complexity: O(1) as operations are done in-place on temporary bitmaps
func (ks *KmerSet) JaccardDistance(other *KmerSet) float64 {
if ks.k != other.k {
panic(fmt.Sprintf("Cannot compute Jaccard distance between KmerSets with different k values: %d vs %d", ks.k, other.k))
}
// Compute intersection cardinality
intersectionCard := ks.bitmap.AndCardinality(other.bitmap)
// Compute union cardinality
unionCard := ks.bitmap.OrCardinality(other.bitmap)
// If union is empty, both sets are empty - return 1.0 by convention
if unionCard == 0 {
return 1.0
}
// Jaccard similarity = |A ∩ B| / |A B|
similarity := float64(intersectionCard) / float64(unionCard)
// Jaccard distance = 1 - similarity
return 1.0 - similarity
}
// JaccardSimilarity computes the Jaccard similarity coefficient between two KmerSets.
// The Jaccard similarity is defined as: |A ∩ B| / |A B|
//
// Returns:
// - 1.0 when sets are identical (maximum similarity)
// - 0.0 when sets are completely disjoint (no similarity)
// - 0.0 when both sets are empty (by convention)
//
// Time complexity: O(|A| + |B|) for Roaring Bitmap operations
// Space complexity: O(1) as operations are done in-place on temporary bitmaps
func (ks *KmerSet) JaccardSimilarity(other *KmerSet) float64 {
return 1.0 - ks.JaccardDistance(other)
}
// Iterator returns an iterator over all k-mers in the set
func (ks *KmerSet) Iterator() roaring64.IntIterable64 {
return ks.bitmap.Iterator()
}
// Bitmap returns the underlying bitmap (for compatibility)
func (ks *KmerSet) Bitmap() *roaring64.Bitmap {
return ks.bitmap
}

View File

@@ -1,362 +0,0 @@
package obikmer
import (
"fmt"
"strconv"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiutils"
)
// ==================================
// KMER SET ATTRIBUTE API
// Mimic BioSequence attribute API from obiseq/attributes.go
// ==================================
// HasAttribute vérifie si une clé d'attribut existe
func (ks *KmerSet) HasAttribute(key string) bool {
_, ok := ks.Metadata[key]
return ok
}
// GetAttribute récupère la valeur d'un attribut
// Cas particuliers: "id" utilise Id(), "k" utilise K()
func (ks *KmerSet) GetAttribute(key string) (interface{}, bool) {
switch key {
case "id":
return ks.Id(), true
case "k":
return ks.K(), true
default:
value, ok := ks.Metadata[key]
return value, ok
}
}
// SetAttribute sets the value of an attribute
// Cas particuliers: "id" utilise SetId(), "k" est immutable (panique)
func (ks *KmerSet) SetAttribute(key string, value interface{}) {
switch key {
case "id":
if id, ok := value.(string); ok {
ks.SetId(id)
} else {
panic(fmt.Sprintf("id must be a string, got %T", value))
}
case "k":
panic("k is immutable and cannot be modified via SetAttribute")
default:
ks.Metadata[key] = value
}
}
// DeleteAttribute supprime un attribut
func (ks *KmerSet) DeleteAttribute(key string) {
delete(ks.Metadata, key)
}
// RemoveAttribute supprime un attribut (alias de DeleteAttribute)
func (ks *KmerSet) RemoveAttribute(key string) {
ks.DeleteAttribute(key)
}
// RenameAttribute renomme un attribut
func (ks *KmerSet) RenameAttribute(newName, oldName string) {
if value, ok := ks.Metadata[oldName]; ok {
ks.Metadata[newName] = value
delete(ks.Metadata, oldName)
}
}
// GetIntAttribute récupère un attribut en tant qu'entier
func (ks *KmerSet) GetIntAttribute(key string) (int, bool) {
value, ok := ks.Metadata[key]
if !ok {
return 0, false
}
switch v := value.(type) {
case int:
return v, true
case int64:
return int(v), true
case float64:
return int(v), true
case string:
if i, err := strconv.Atoi(v); err == nil {
return i, true
}
}
return 0, false
}
// GetFloatAttribute récupère un attribut en tant que float64
func (ks *KmerSet) GetFloatAttribute(key string) (float64, bool) {
value, ok := ks.Metadata[key]
if !ok {
return 0, false
}
switch v := value.(type) {
case float64:
return v, true
case float32:
return float64(v), true
case int:
return float64(v), true
case int64:
return float64(v), true
case string:
if f, err := strconv.ParseFloat(v, 64); err == nil {
return f, true
}
}
return 0, false
}
// GetNumericAttribute récupère un attribut numérique (alias de GetFloatAttribute)
func (ks *KmerSet) GetNumericAttribute(key string) (float64, bool) {
return ks.GetFloatAttribute(key)
}
// GetStringAttribute récupère un attribut en tant que chaîne
func (ks *KmerSet) GetStringAttribute(key string) (string, bool) {
value, ok := ks.Metadata[key]
if !ok {
return "", false
}
switch v := value.(type) {
case string:
return v, true
default:
return fmt.Sprintf("%v", v), true
}
}
// GetBoolAttribute récupère un attribut en tant que booléen
func (ks *KmerSet) GetBoolAttribute(key string) (bool, bool) {
value, ok := ks.Metadata[key]
if !ok {
return false, false
}
switch v := value.(type) {
case bool:
return v, true
case int:
return v != 0, true
case string:
if b, err := strconv.ParseBool(v); err == nil {
return b, true
}
}
return false, false
}
// AttributeKeys returns the set of attribute keys
func (ks *KmerSet) AttributeKeys() obiutils.Set[string] {
keys := obiutils.MakeSet[string]()
for key := range ks.Metadata {
keys.Add(key)
}
return keys
}
// Keys returns the set of attribute keys (alias of AttributeKeys)
func (ks *KmerSet) Keys() obiutils.Set[string] {
return ks.AttributeKeys()
}
// ==================================
// KMER SET GROUP ATTRIBUTE API
// Métadonnées du groupe + accès via Get() pour les sets individuels
// ==================================
// HasAttribute vérifie si une clé d'attribut existe pour le groupe
func (ksg *KmerSetGroup) HasAttribute(key string) bool {
_, ok := ksg.Metadata[key]
return ok
}
// GetAttribute récupère la valeur d'un attribut du groupe
// Cas particuliers: "id" utilise Id(), "k" utilise K()
func (ksg *KmerSetGroup) GetAttribute(key string) (interface{}, bool) {
switch key {
case "id":
return ksg.Id(), true
case "k":
return ksg.K(), true
default:
value, ok := ksg.Metadata[key]
return value, ok
}
}
// SetAttribute sets the value of an attribute du groupe
// Cas particuliers: "id" utilise SetId(), "k" est immutable (panique)
func (ksg *KmerSetGroup) SetAttribute(key string, value interface{}) {
switch key {
case "id":
if id, ok := value.(string); ok {
ksg.SetId(id)
} else {
panic(fmt.Sprintf("id must be a string, got %T", value))
}
case "k":
panic("k is immutable and cannot be modified via SetAttribute")
default:
ksg.Metadata[key] = value
}
}
// DeleteAttribute supprime un attribut du groupe
func (ksg *KmerSetGroup) DeleteAttribute(key string) {
delete(ksg.Metadata, key)
}
// RemoveAttribute supprime un attribut du groupe (alias)
func (ksg *KmerSetGroup) RemoveAttribute(key string) {
ksg.DeleteAttribute(key)
}
// RenameAttribute renomme un attribut du groupe
func (ksg *KmerSetGroup) RenameAttribute(newName, oldName string) {
if value, ok := ksg.Metadata[oldName]; ok {
ksg.Metadata[newName] = value
delete(ksg.Metadata, oldName)
}
}
// GetIntAttribute récupère un attribut entier du groupe
func (ksg *KmerSetGroup) GetIntAttribute(key string) (int, bool) {
value, ok := ksg.GetAttribute(key)
if !ok {
return 0, false
}
switch v := value.(type) {
case int:
return v, true
case int64:
return int(v), true
case float64:
return int(v), true
case string:
if i, err := strconv.Atoi(v); err == nil {
return i, true
}
}
return 0, false
}
// GetFloatAttribute récupère un attribut float64 du groupe
func (ksg *KmerSetGroup) GetFloatAttribute(key string) (float64, bool) {
value, ok := ksg.GetAttribute(key)
if !ok {
return 0, false
}
switch v := value.(type) {
case float64:
return v, true
case float32:
return float64(v), true
case int:
return float64(v), true
case int64:
return float64(v), true
case string:
if f, err := strconv.ParseFloat(v, 64); err == nil {
return f, true
}
}
return 0, false
}
// GetNumericAttribute récupère un attribut numérique du groupe
func (ksg *KmerSetGroup) GetNumericAttribute(key string) (float64, bool) {
return ksg.GetFloatAttribute(key)
}
// GetStringAttribute récupère un attribut chaîne du groupe
func (ksg *KmerSetGroup) GetStringAttribute(key string) (string, bool) {
value, ok := ksg.GetAttribute(key)
if !ok {
return "", false
}
switch v := value.(type) {
case string:
return v, true
default:
return fmt.Sprintf("%v", v), true
}
}
// GetBoolAttribute récupère un attribut booléen du groupe
func (ksg *KmerSetGroup) GetBoolAttribute(key string) (bool, bool) {
value, ok := ksg.GetAttribute(key)
if !ok {
return false, false
}
switch v := value.(type) {
case bool:
return v, true
case int:
return v != 0, true
case string:
if b, err := strconv.ParseBool(v); err == nil {
return b, true
}
}
return false, false
}
// AttributeKeys returns the set of attribute keys du groupe
func (ksg *KmerSetGroup) AttributeKeys() obiutils.Set[string] {
keys := obiutils.MakeSet[string]()
for key := range ksg.Metadata {
keys.Add(key)
}
return keys
}
// Keys returns the set of group attribute keys (alias)
func (ksg *KmerSetGroup) Keys() obiutils.Set[string] {
return ksg.AttributeKeys()
}
// ==================================
// MÉTHODES POUR ACCÉDER AUX ATTRIBUTS DES SETS INDIVIDUELS VIA Get()
// Architecture zero-copy: ksg.Get(i).SetAttribute(...)
// ==================================
// Exemple d'utilisation:
// Pour accéder aux métadonnées d'un KmerSet individuel dans un groupe:
// ks := ksg.Get(0)
// ks.SetAttribute("level", 1)
// hasLevel := ks.HasAttribute("level")
//
// Pour les métadonnées du groupe:
// ksg.SetAttribute("name", "FrequencyFilter")
// name, ok := ksg.GetStringAttribute("name")
// AllAttributeKeys returns all unique attribute keys of the group AND all its sets
func (ksg *KmerSetGroup) AllAttributeKeys() obiutils.Set[string] {
keys := obiutils.MakeSet[string]()
// Ajouter les clés du groupe
for key := range ksg.Metadata {
keys.Add(key)
}
// Ajouter les clés de chaque set
for _, ks := range ksg.sets {
for key := range ks.Metadata {
keys.Add(key)
}
}
return keys
}

View File

@@ -0,0 +1,702 @@
package obikmer
import (
"fmt"
"math"
"os"
"path/filepath"
"slices"
"sync"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidefault"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
"github.com/schollz/progressbar/v3"
)
// BuilderOption is a functional option for KmerSetGroupBuilder.
type BuilderOption func(*builderConfig)
type builderConfig struct {
minFreq int // 0 means no frequency filtering (simple dedup)
maxFreq int // 0 means no upper bound
saveFreqTopN int // >0 means save the N most frequent k-mers per set to CSV
entropyThreshold float64 // >0 means filter k-mers with entropy <= threshold
entropyLevelMax int // max sub-word size for entropy (typically 6)
}
// WithMinFrequency activates frequency filtering mode.
// Only k-mers seen >= minFreq times are kept in the final index.
func WithMinFrequency(minFreq int) BuilderOption {
return func(c *builderConfig) {
c.minFreq = minFreq
}
}
// WithMaxFrequency sets the upper frequency bound.
// Only k-mers seen <= maxFreq times are kept in the final index.
func WithMaxFrequency(maxFreq int) BuilderOption {
return func(c *builderConfig) {
c.maxFreq = maxFreq
}
}
// WithSaveFreqKmers saves the N most frequent k-mers per set to a CSV file
// (top_kmers.csv in each set directory).
func WithSaveFreqKmers(n int) BuilderOption {
return func(c *builderConfig) {
c.saveFreqTopN = n
}
}
// WithEntropyFilter activates entropy-based low-complexity filtering.
// K-mers with entropy <= threshold are discarded during finalization.
// levelMax is the maximum sub-word size for entropy computation (typically 6).
func WithEntropyFilter(threshold float64, levelMax int) BuilderOption {
return func(c *builderConfig) {
c.entropyThreshold = threshold
c.entropyLevelMax = levelMax
}
}
// KmerSetGroupBuilder constructs a KmerSetGroup on disk.
// During construction, super-kmers are written to temporary .skm files
// partitioned by minimizer. On Close(), each partition is finalized
// (sort, dedup, optional frequency filter) into .kdi files.
type KmerSetGroupBuilder struct {
dir string
k int
m int
n int // number of NEW sets being built
P int // number of partitions
startIndex int // first set index (0 for new groups, existingN for appends)
config builderConfig
existing *KmerSetGroup // non-nil when appending to existing group
writers [][]*SkmWriter // [setIndex][partIndex] (local index 0..n-1)
mu [][]sync.Mutex // per-writer mutex for concurrent access
closed bool
}
// NewKmerSetGroupBuilder creates a builder for a new KmerSetGroup.
//
// Parameters:
// - directory: destination directory (created if necessary)
// - k: k-mer size (1-31)
// - m: minimizer size (-1 for auto = ceil(k/2.5))
// - n: number of sets in the group
// - P: number of partitions (-1 for auto)
// - options: optional builder options (e.g. WithMinFrequency)
func NewKmerSetGroupBuilder(directory string, k, m, n, P int,
options ...BuilderOption) (*KmerSetGroupBuilder, error) {
if k < 2 || k > 31 {
return nil, fmt.Errorf("obikmer: k must be between 2 and 31, got %d", k)
}
if n < 1 {
return nil, fmt.Errorf("obikmer: n must be >= 1, got %d", n)
}
// Auto minimizer size
if m < 0 {
m = int(math.Ceil(float64(k) / 2.5))
}
if m < 1 {
m = 1
}
if m >= k {
m = k - 1
}
// Auto partition count
if P < 0 {
// Use 4^m as the maximum, capped at a reasonable value
maxP := 1 << (2 * m) // 4^m
P = maxP
if P > 4096 {
P = 4096
}
if P < 64 {
P = 64
}
}
// Apply options
var config builderConfig
for _, opt := range options {
opt(&config)
}
// Create build directory structure
buildDir := filepath.Join(directory, ".build")
for s := 0; s < n; s++ {
setDir := filepath.Join(buildDir, fmt.Sprintf("set_%d", s))
if err := os.MkdirAll(setDir, 0755); err != nil {
return nil, fmt.Errorf("obikmer: create build dir: %w", err)
}
}
// Create SKM writers
writers := make([][]*SkmWriter, n)
mutexes := make([][]sync.Mutex, n)
for s := 0; s < n; s++ {
writers[s] = make([]*SkmWriter, P)
mutexes[s] = make([]sync.Mutex, P)
for p := 0; p < P; p++ {
path := filepath.Join(buildDir, fmt.Sprintf("set_%d", s),
fmt.Sprintf("part_%04d.skm", p))
w, err := NewSkmWriter(path)
if err != nil {
// Close already-created writers
for ss := 0; ss <= s; ss++ {
for pp := 0; pp < P; pp++ {
if writers[ss][pp] != nil {
writers[ss][pp].Close()
}
}
}
return nil, fmt.Errorf("obikmer: create skm writer: %w", err)
}
writers[s][p] = w
}
}
return &KmerSetGroupBuilder{
dir: directory,
k: k,
m: m,
n: n,
P: P,
startIndex: 0,
config: config,
writers: writers,
mu: mutexes,
}, nil
}
// AppendKmerSetGroupBuilder opens an existing KmerSetGroup and creates
// a builder that adds n new sets starting from the existing set count.
// The k, m, and partitions are inherited from the existing group.
func AppendKmerSetGroupBuilder(directory string, n int, options ...BuilderOption) (*KmerSetGroupBuilder, error) {
existing, err := OpenKmerSetGroup(directory)
if err != nil {
return nil, fmt.Errorf("obikmer: open existing group: %w", err)
}
if n < 1 {
return nil, fmt.Errorf("obikmer: n must be >= 1, got %d", n)
}
k := existing.K()
m := existing.M()
P := existing.Partitions()
startIndex := existing.Size()
var config builderConfig
for _, opt := range options {
opt(&config)
}
// Create build directory structure for new sets
buildDir := filepath.Join(directory, ".build")
for s := 0; s < n; s++ {
setDir := filepath.Join(buildDir, fmt.Sprintf("set_%d", s))
if err := os.MkdirAll(setDir, 0755); err != nil {
return nil, fmt.Errorf("obikmer: create build dir: %w", err)
}
}
// Create SKM writers for new sets
writers := make([][]*SkmWriter, n)
mutexes := make([][]sync.Mutex, n)
for s := 0; s < n; s++ {
writers[s] = make([]*SkmWriter, P)
mutexes[s] = make([]sync.Mutex, P)
for p := 0; p < P; p++ {
path := filepath.Join(buildDir, fmt.Sprintf("set_%d", s),
fmt.Sprintf("part_%04d.skm", p))
w, err := NewSkmWriter(path)
if err != nil {
for ss := 0; ss <= s; ss++ {
for pp := 0; pp < P; pp++ {
if writers[ss][pp] != nil {
writers[ss][pp].Close()
}
}
}
return nil, fmt.Errorf("obikmer: create skm writer: %w", err)
}
writers[s][p] = w
}
}
return &KmerSetGroupBuilder{
dir: directory,
k: k,
m: m,
n: n,
P: P,
startIndex: startIndex,
config: config,
existing: existing,
writers: writers,
mu: mutexes,
}, nil
}
// StartIndex returns the first global set index for the new sets being built.
// For new groups this is 0; for appends it is the existing group's Size().
func (b *KmerSetGroupBuilder) StartIndex() int {
return b.startIndex
}
// AddSequence extracts super-kmers from a sequence and writes them
// to the appropriate partition files for the given set.
func (b *KmerSetGroupBuilder) AddSequence(setIndex int, seq *obiseq.BioSequence) {
if setIndex < 0 || setIndex >= b.n {
return
}
rawSeq := seq.Sequence()
if len(rawSeq) < b.k {
return
}
for sk := range IterSuperKmers(rawSeq, b.k, b.m) {
part := int(sk.Minimizer % uint64(b.P))
b.mu[setIndex][part].Lock()
b.writers[setIndex][part].Write(sk)
b.mu[setIndex][part].Unlock()
}
}
// AddSuperKmer writes a single super-kmer to the appropriate partition.
func (b *KmerSetGroupBuilder) AddSuperKmer(setIndex int, sk SuperKmer) {
if setIndex < 0 || setIndex >= b.n {
return
}
part := int(sk.Minimizer % uint64(b.P))
b.mu[setIndex][part].Lock()
b.writers[setIndex][part].Write(sk)
b.mu[setIndex][part].Unlock()
}
// Close finalizes the construction:
// 1. Flush and close all SKM writers
// 2. For each partition of each set (in parallel):
// - Load super-kmers from .skm
// - Extract canonical k-mers
// - Sort and deduplicate (count if frequency filter)
// - Write .kdi file
// 3. Write metadata.toml
// 4. Remove .build/ directory
//
// Returns the finalized KmerSetGroup in read-only mode.
func (b *KmerSetGroupBuilder) Close() (*KmerSetGroup, error) {
if b.closed {
return nil, fmt.Errorf("obikmer: builder already closed")
}
b.closed = true
// 1. Close all SKM writers
for s := 0; s < b.n; s++ {
for p := 0; p < b.P; p++ {
if err := b.writers[s][p].Close(); err != nil {
return nil, fmt.Errorf("obikmer: close skm writer set=%d part=%d: %w", s, p, err)
}
}
}
// 2. Create output directory structure for new sets
for s := 0; s < b.n; s++ {
globalIdx := b.startIndex + s
setDir := filepath.Join(b.dir, fmt.Sprintf("set_%d", globalIdx))
if err := os.MkdirAll(setDir, 0755); err != nil {
return nil, fmt.Errorf("obikmer: create set dir: %w", err)
}
}
// =====================================================================
// 2-stage pipeline: readers (pure I/O) → workers (CPU + write)
//
// - nReaders goroutines read .skm files (pure I/O, fast)
// - nWorkers goroutines extract k-mers, sort, dedup, filter, write .kdi
//
// One unbuffered channel between stages. Readers are truly I/O-bound
// (small files, buffered reads), workers are CPU-bound and stay busy.
// =====================================================================
totalJobs := b.n * b.P
counts := make([][]uint64, b.n)
spectra := make([][]map[int]uint64, b.n)
var topKmers [][]*TopNKmers
for s := 0; s < b.n; s++ {
counts[s] = make([]uint64, b.P)
spectra[s] = make([]map[int]uint64, b.P)
}
if b.config.saveFreqTopN > 0 {
topKmers = make([][]*TopNKmers, b.n)
for s := 0; s < b.n; s++ {
topKmers[s] = make([]*TopNKmers, b.P)
}
}
nCPU := obidefault.ParallelWorkers()
// Stage sizing
nWorkers := nCPU // CPU-bound: one per core
nReaders := nCPU / 4 // pure I/O: few goroutines suffice
if nReaders < 2 {
nReaders = 2
}
if nReaders > 4 {
nReaders = 4
}
if nWorkers > totalJobs {
nWorkers = totalJobs
}
if nReaders > totalJobs {
nReaders = totalJobs
}
var bar *progressbar.ProgressBar
if obidefault.ProgressBar() {
pbopt := []progressbar.Option{
progressbar.OptionSetWriter(os.Stderr),
progressbar.OptionSetWidth(15),
progressbar.OptionShowCount(),
progressbar.OptionShowIts(),
progressbar.OptionSetPredictTime(true),
progressbar.OptionSetDescription("[Finalizing partitions]"),
}
bar = progressbar.NewOptions(totalJobs, pbopt...)
}
// --- Channel types ---
type partitionData struct {
setIdx int
partIdx int
skmers []SuperKmer // raw super-kmers from I/O stage
}
type readJob struct {
setIdx int
partIdx int
}
dataCh := make(chan *partitionData) // unbuffered
readJobs := make(chan readJob, totalJobs)
var errMu sync.Mutex
var firstErr error
// Fill job queue (buffered, all jobs pre-loaded)
for s := 0; s < b.n; s++ {
for p := 0; p < b.P; p++ {
readJobs <- readJob{s, p}
}
}
close(readJobs)
// --- Stage 1: Readers (pure I/O) ---
var readWg sync.WaitGroup
for w := 0; w < nReaders; w++ {
readWg.Add(1)
go func() {
defer readWg.Done()
for rj := range readJobs {
skmers, err := b.loadPartitionRaw(rj.setIdx, rj.partIdx)
if err != nil {
errMu.Lock()
if firstErr == nil {
firstErr = err
}
errMu.Unlock()
}
dataCh <- &partitionData{rj.setIdx, rj.partIdx, skmers}
}
}()
}
go func() {
readWg.Wait()
close(dataCh)
}()
// --- Stage 2: Workers (CPU: extract k-mers + sort/filter + write .kdi) ---
var workWg sync.WaitGroup
for w := 0; w < nWorkers; w++ {
workWg.Add(1)
go func() {
defer workWg.Done()
for pd := range dataCh {
// CPU: extract canonical k-mers from super-kmers
kmers := extractCanonicalKmers(pd.skmers, b.k)
pd.skmers = nil // allow GC of raw super-kmers
// CPU: sort, dedup, filter
filtered, spectrum, topN := b.sortFilterPartition(kmers)
kmers = nil // allow GC of unsorted data
// I/O: write .kdi file
globalIdx := b.startIndex + pd.setIdx
kdiPath := filepath.Join(b.dir,
fmt.Sprintf("set_%d", globalIdx),
fmt.Sprintf("part_%04d.kdi", pd.partIdx))
n, err := b.writePartitionKdi(kdiPath, filtered)
if err != nil {
errMu.Lock()
if firstErr == nil {
firstErr = err
}
errMu.Unlock()
}
counts[pd.setIdx][pd.partIdx] = n
spectra[pd.setIdx][pd.partIdx] = spectrum
if topKmers != nil {
topKmers[pd.setIdx][pd.partIdx] = topN
}
if bar != nil {
bar.Add(1)
}
}
}()
}
workWg.Wait()
if bar != nil {
fmt.Fprintln(os.Stderr)
}
if firstErr != nil {
return nil, firstErr
}
// Aggregate per-partition spectra into per-set spectra and write spectrum.bin
for s := 0; s < b.n; s++ {
globalIdx := b.startIndex + s
setSpectrum := make(map[int]uint64)
for p := 0; p < b.P; p++ {
if spectra[s][p] != nil {
MergeSpectraMaps(setSpectrum, spectra[s][p])
}
}
if len(setSpectrum) > 0 {
specPath := filepath.Join(b.dir, fmt.Sprintf("set_%d", globalIdx), "spectrum.bin")
if err := WriteSpectrum(specPath, MapToSpectrum(setSpectrum)); err != nil {
return nil, fmt.Errorf("obikmer: write spectrum set=%d: %w", globalIdx, err)
}
}
}
// Aggregate per-partition top-N k-mers and write CSV
if topKmers != nil {
for s := 0; s < b.n; s++ {
globalIdx := b.startIndex + s
merged := NewTopNKmers(b.config.saveFreqTopN)
for p := 0; p < b.P; p++ {
merged.MergeTopN(topKmers[s][p])
}
results := merged.Results()
if len(results) > 0 {
csvPath := filepath.Join(b.dir, fmt.Sprintf("set_%d", globalIdx), "top_kmers.csv")
if err := WriteTopKmersCSV(csvPath, results, b.k); err != nil {
return nil, fmt.Errorf("obikmer: write top kmers set=%d: %w", globalIdx, err)
}
}
}
}
// 3. Build KmerSetGroup and write metadata
newCounts := make([]uint64, b.n)
for s := 0; s < b.n; s++ {
for p := 0; p < b.P; p++ {
newCounts[s] += counts[s][p]
}
}
var ksg *KmerSetGroup
if b.existing != nil {
// Append mode: extend existing group
ksg = b.existing
ksg.n += b.n
ksg.setsIDs = append(ksg.setsIDs, make([]string, b.n)...)
ksg.counts = append(ksg.counts, newCounts...)
newMeta := make([]map[string]interface{}, b.n)
for i := range newMeta {
newMeta[i] = make(map[string]interface{})
}
ksg.setsMetadata = append(ksg.setsMetadata, newMeta...)
} else {
// New group
setsIDs := make([]string, b.n)
setsMetadata := make([]map[string]interface{}, b.n)
for i := range setsMetadata {
setsMetadata[i] = make(map[string]interface{})
}
ksg = &KmerSetGroup{
path: b.dir,
k: b.k,
m: b.m,
partitions: b.P,
n: b.n,
setsIDs: setsIDs,
counts: newCounts,
setsMetadata: setsMetadata,
Metadata: make(map[string]interface{}),
}
}
if err := ksg.saveMetadata(); err != nil {
return nil, fmt.Errorf("obikmer: write metadata: %w", err)
}
// 4. Remove .build/ directory
buildDir := filepath.Join(b.dir, ".build")
os.RemoveAll(buildDir)
return ksg, nil
}
// loadPartitionRaw reads a .skm file and returns raw super-kmers.
// This is pure I/O — no k-mer extraction is done here.
// Returns nil (not an error) if the .skm file is empty or missing.
func (b *KmerSetGroupBuilder) loadPartitionRaw(setIdx, partIdx int) ([]SuperKmer, error) {
skmPath := filepath.Join(b.dir, ".build",
fmt.Sprintf("set_%d", setIdx),
fmt.Sprintf("part_%04d.skm", partIdx))
fi, err := os.Stat(skmPath)
if err != nil {
return nil, nil // empty partition, not an error
}
reader, err := NewSkmReader(skmPath)
if err != nil {
return nil, nil
}
// Estimate capacity from file size. Each super-kmer record is
// 2 bytes (length) + packed bases (~k/4 bytes), so roughly
// (2 + k/4) bytes per super-kmer on average.
avgRecordSize := 2 + b.k/4
if avgRecordSize < 4 {
avgRecordSize = 4
}
estCount := int(fi.Size()) / avgRecordSize
skmers := make([]SuperKmer, 0, estCount)
for {
sk, ok := reader.Next()
if !ok {
break
}
skmers = append(skmers, sk)
}
reader.Close()
return skmers, nil
}
// extractCanonicalKmers extracts all canonical k-mers from a slice of super-kmers.
// This is CPU-bound work (sliding-window forward/reverse complement).
func extractCanonicalKmers(skmers []SuperKmer, k int) []uint64 {
// Pre-compute total capacity to avoid repeated slice growth.
// Each super-kmer of length L yields L-k+1 canonical k-mers.
total := 0
for i := range skmers {
n := len(skmers[i].Sequence) - k + 1
if n > 0 {
total += n
}
}
kmers := make([]uint64, 0, total)
for _, sk := range skmers {
for kmer := range IterCanonicalKmers(sk.Sequence, k) {
kmers = append(kmers, kmer)
}
}
return kmers
}
// sortFilterPartition sorts, deduplicates, and filters k-mers in memory (CPU-bound).
// Returns the filtered sorted slice, frequency spectrum, and optional top-N.
func (b *KmerSetGroupBuilder) sortFilterPartition(kmers []uint64) ([]uint64, map[int]uint64, *TopNKmers) {
if len(kmers) == 0 {
return nil, nil, nil
}
// Sort (CPU-bound) — slices.Sort avoids reflection overhead of sort.Slice
slices.Sort(kmers)
minFreq := b.config.minFreq
if minFreq <= 0 {
minFreq = 1 // simple dedup
}
maxFreq := b.config.maxFreq
// Prepare entropy filter if requested
var entropyFilter *KmerEntropyFilter
if b.config.entropyThreshold > 0 && b.config.entropyLevelMax > 0 {
entropyFilter = NewKmerEntropyFilter(b.k, b.config.entropyLevelMax, b.config.entropyThreshold)
}
// Prepare top-N collector if requested
var topN *TopNKmers
if b.config.saveFreqTopN > 0 {
topN = NewTopNKmers(b.config.saveFreqTopN)
}
// Linear scan: count consecutive identical values, filter, accumulate spectrum
partSpectrum := make(map[int]uint64)
filtered := make([]uint64, 0, len(kmers)/2)
i := 0
for i < len(kmers) {
val := kmers[i]
c := 1
for i+c < len(kmers) && kmers[i+c] == val {
c++
}
partSpectrum[c]++
if topN != nil {
topN.Add(val, c)
}
if c >= minFreq && (maxFreq <= 0 || c <= maxFreq) {
if entropyFilter == nil || entropyFilter.Accept(val) {
filtered = append(filtered, val)
}
}
i += c
}
return filtered, partSpectrum, topN
}
// writePartitionKdi writes a sorted slice of k-mers to a .kdi file (I/O-bound).
// Returns the number of k-mers written.
func (b *KmerSetGroupBuilder) writePartitionKdi(kdiPath string, kmers []uint64) (uint64, error) {
w, err := NewKdiWriter(kdiPath)
if err != nil {
return 0, err
}
for _, val := range kmers {
if err := w.Write(val); err != nil {
w.Close()
return 0, err
}
}
n := w.Count()
return n, w.Close()
}
func (b *KmerSetGroupBuilder) writeEmptyKdi(path string, count *uint64) error {
w, err := NewKdiWriter(path)
if err != nil {
return err
}
*count = 0
return w.Close()
}

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@@ -0,0 +1,278 @@
package obikmer
import (
"sort"
"testing"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
)
func TestBuilderBasic(t *testing.T) {
dir := t.TempDir()
builder, err := NewKmerSetGroupBuilder(dir, 15, 7, 1, 64)
if err != nil {
t.Fatal(err)
}
seq := obiseq.NewBioSequence("test", []byte("ACGTACGTACGTACGTACGTACGTACGT"), "")
builder.AddSequence(0, seq)
ksg, err := builder.Close()
if err != nil {
t.Fatal(err)
}
if ksg.K() != 15 {
t.Fatalf("K() = %d, want 15", ksg.K())
}
if ksg.M() != 7 {
t.Fatalf("M() = %d, want 7", ksg.M())
}
if ksg.Partitions() != 64 {
t.Fatalf("Partitions() = %d, want 64", ksg.Partitions())
}
if ksg.Size() != 1 {
t.Fatalf("Size() = %d, want 1", ksg.Size())
}
if ksg.Len(0) == 0 {
t.Fatal("Len(0) = 0, expected some k-mers")
}
// Verify k-mers match what we'd compute directly
var expected []uint64
for kmer := range IterCanonicalKmers(seq.Sequence(), 15) {
expected = append(expected, kmer)
}
sort.Slice(expected, func(i, j int) bool { return expected[i] < expected[j] })
// Dedup
deduped := expected[:0]
for i, v := range expected {
if i == 0 || v != expected[i-1] {
deduped = append(deduped, v)
}
}
if ksg.Len(0) != uint64(len(deduped)) {
t.Fatalf("Len(0) = %d, expected %d unique k-mers", ksg.Len(0), len(deduped))
}
// Check iterator
var fromIter []uint64
for kmer := range ksg.Iterator(0) {
fromIter = append(fromIter, kmer)
}
// The iterator does a k-way merge so should be sorted
for i := 1; i < len(fromIter); i++ {
if fromIter[i] <= fromIter[i-1] {
t.Fatalf("iterator not sorted at %d: %d <= %d", i, fromIter[i], fromIter[i-1])
}
}
if len(fromIter) != len(deduped) {
t.Fatalf("iterator yielded %d k-mers, expected %d", len(fromIter), len(deduped))
}
for i, v := range fromIter {
if v != deduped[i] {
t.Fatalf("iterator kmer %d: got %d, want %d", i, v, deduped[i])
}
}
}
func TestBuilderMultipleSequences(t *testing.T) {
dir := t.TempDir()
builder, err := NewKmerSetGroupBuilder(dir, 15, 7, 1, 64)
if err != nil {
t.Fatal(err)
}
seqs := []string{
"ACGTACGTACGTACGTACGTACGTACGT",
"TTTTTTTTTTTTTTTTTTTTTTTTT",
"GGGGGGGGGGGGGGGGGGGGGGGG",
}
for _, s := range seqs {
seq := obiseq.NewBioSequence("", []byte(s), "")
builder.AddSequence(0, seq)
}
ksg, err := builder.Close()
if err != nil {
t.Fatal(err)
}
if ksg.Len(0) == 0 {
t.Fatal("expected k-mers after multiple sequences")
}
}
func TestBuilderFrequencyFilter(t *testing.T) {
dir := t.TempDir()
builder, err := NewKmerSetGroupBuilder(dir, 15, 7, 1, 64,
WithMinFrequency(3))
if err != nil {
t.Fatal(err)
}
// Add same sequence 3 times — all k-mers should survive freq=3
seq := obiseq.NewBioSequence("test", []byte("ACGTACGTACGTACGTACGTACGTACGT"), "")
for i := 0; i < 3; i++ {
builder.AddSequence(0, seq)
}
ksg, err := builder.Close()
if err != nil {
t.Fatal(err)
}
// All k-mers appear exactly 3 times → all should survive
var expected []uint64
for kmer := range IterCanonicalKmers(seq.Sequence(), 15) {
expected = append(expected, kmer)
}
sort.Slice(expected, func(i, j int) bool { return expected[i] < expected[j] })
deduped := expected[:0]
for i, v := range expected {
if i == 0 || v != expected[i-1] {
deduped = append(deduped, v)
}
}
if ksg.Len(0) != uint64(len(deduped)) {
t.Fatalf("Len(0) = %d, expected %d (all k-mers at freq=3)", ksg.Len(0), len(deduped))
}
}
func TestBuilderFrequencyFilterRejects(t *testing.T) {
dir := t.TempDir()
builder, err := NewKmerSetGroupBuilder(dir, 15, 7, 1, 64,
WithMinFrequency(5))
if err != nil {
t.Fatal(err)
}
// Use a non-repetitive sequence so each canonical k-mer appears once per pass.
// Adding it twice gives freq=2 per kmer, which is < minFreq=5 → all rejected.
seq := obiseq.NewBioSequence("test",
[]byte("ACGATCGATCTAGCTAGCTGATCGATCGATCG"), "")
builder.AddSequence(0, seq)
builder.AddSequence(0, seq)
ksg, err := builder.Close()
if err != nil {
t.Fatal(err)
}
if ksg.Len(0) != 0 {
t.Fatalf("Len(0) = %d, expected 0 (all k-mers at freq=2 < minFreq=5)", ksg.Len(0))
}
}
func TestBuilderMultipleSets(t *testing.T) {
dir := t.TempDir()
builder, err := NewKmerSetGroupBuilder(dir, 15, 7, 3, 64)
if err != nil {
t.Fatal(err)
}
seqs := []string{
"ACGTACGTACGTACGTACGTACGTACGT",
"TTTTTTTTTTTTTTTTTTTTTTTTT",
"GGGGGGGGGGGGGGGGGGGGGGGG",
}
for i, s := range seqs {
seq := obiseq.NewBioSequence("", []byte(s), "")
builder.AddSequence(i, seq)
}
ksg, err := builder.Close()
if err != nil {
t.Fatal(err)
}
if ksg.Size() != 3 {
t.Fatalf("Size() = %d, want 3", ksg.Size())
}
for s := 0; s < 3; s++ {
if ksg.Len(s) == 0 {
t.Fatalf("Len(%d) = 0, expected some k-mers", s)
}
}
}
func TestBuilderOpenRoundTrip(t *testing.T) {
dir := t.TempDir()
builder, err := NewKmerSetGroupBuilder(dir, 15, 7, 1, 64)
if err != nil {
t.Fatal(err)
}
seq := obiseq.NewBioSequence("test", []byte("ACGTACGTACGTACGTACGTACGTACGT"), "")
builder.AddSequence(0, seq)
ksg1, err := builder.Close()
if err != nil {
t.Fatal(err)
}
// Reopen
ksg2, err := OpenKmerSetGroup(dir)
if err != nil {
t.Fatal(err)
}
if ksg2.K() != ksg1.K() {
t.Fatalf("K mismatch: %d vs %d", ksg2.K(), ksg1.K())
}
if ksg2.M() != ksg1.M() {
t.Fatalf("M mismatch: %d vs %d", ksg2.M(), ksg1.M())
}
if ksg2.Partitions() != ksg1.Partitions() {
t.Fatalf("Partitions mismatch: %d vs %d", ksg2.Partitions(), ksg1.Partitions())
}
if ksg2.Len(0) != ksg1.Len(0) {
t.Fatalf("Len mismatch: %d vs %d", ksg2.Len(0), ksg1.Len(0))
}
}
func TestBuilderAttributes(t *testing.T) {
dir := t.TempDir()
builder, err := NewKmerSetGroupBuilder(dir, 15, 7, 1, 64)
if err != nil {
t.Fatal(err)
}
seq := obiseq.NewBioSequence("test", []byte("ACGTACGTACGTACGTACGTACGTACGT"), "")
builder.AddSequence(0, seq)
ksg, err := builder.Close()
if err != nil {
t.Fatal(err)
}
ksg.SetId("my_index")
ksg.SetAttribute("organism", "test")
ksg.SaveMetadata()
// Reopen and check
ksg2, err := OpenKmerSetGroup(dir)
if err != nil {
t.Fatal(err)
}
if ksg2.Id() != "my_index" {
t.Fatalf("Id() = %q, want %q", ksg2.Id(), "my_index")
}
if !ksg2.HasAttribute("organism") {
t.Fatal("expected 'organism' attribute")
}
v, _ := ksg2.GetAttribute("organism")
if v != "test" {
t.Fatalf("organism = %v, want 'test'", v)
}
}

View File

@@ -0,0 +1,944 @@
package obikmer
import (
"fmt"
"io"
"iter"
"os"
"path"
"path/filepath"
"sort"
"sync"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidist"
"github.com/pelletier/go-toml/v2"
)
// MetadataFormat represents the metadata serialization format.
// Currently only TOML is used for disk-based indices, but the type
// is kept for backward compatibility with CLI options.
type MetadataFormat int
const (
FormatTOML MetadataFormat = iota
FormatYAML
FormatJSON
)
// String returns the file extension for the format.
func (f MetadataFormat) String() string {
switch f {
case FormatTOML:
return "toml"
case FormatYAML:
return "yaml"
case FormatJSON:
return "json"
default:
return "toml"
}
}
// KmerSetGroup is a disk-based collection of N k-mer sets sharing the same
// k, m, and partition count P. After construction (via KmerSetGroupBuilder),
// it is immutable and all operations are streaming (partition by partition).
//
// A KmerSetGroup with Size()==1 is effectively a KmerSet (singleton).
type KmerSetGroup struct {
path string // root directory
id string // user-assigned identifier
k int // k-mer size
m int // minimizer size
partitions int // number of partitions P
n int // number of sets N
setsIDs []string // IDs of individual sets
counts []uint64 // total k-mer count per set (sum over partitions)
setsMetadata []map[string]interface{} // per-set user metadata
Metadata map[string]interface{} // group-level user metadata
}
// diskMetadata is the TOML-serializable structure for metadata.toml.
type diskMetadata struct {
ID string `toml:"id,omitempty"`
K int `toml:"k"`
M int `toml:"m"`
Partitions int `toml:"partitions"`
Type string `toml:"type"`
Size int `toml:"size"`
SetsIDs []string `toml:"sets_ids,omitempty"`
Counts []uint64 `toml:"counts,omitempty"`
SetsMetadata []map[string]interface{} `toml:"sets_metadata,omitempty"`
UserMetadata map[string]interface{} `toml:"user_metadata,omitempty"`
}
// OpenKmerSetGroup opens a finalized index directory in read-only mode.
func OpenKmerSetGroup(directory string) (*KmerSetGroup, error) {
metaPath := filepath.Join(directory, "metadata.toml")
f, err := os.Open(metaPath)
if err != nil {
return nil, fmt.Errorf("obikmer: open metadata: %w", err)
}
defer f.Close()
var meta diskMetadata
if err := toml.NewDecoder(f).Decode(&meta); err != nil {
return nil, fmt.Errorf("obikmer: decode metadata: %w", err)
}
ksg := &KmerSetGroup{
path: directory,
id: meta.ID,
k: meta.K,
m: meta.M,
partitions: meta.Partitions,
n: meta.Size,
setsIDs: meta.SetsIDs,
counts: meta.Counts,
setsMetadata: meta.SetsMetadata,
Metadata: meta.UserMetadata,
}
if ksg.Metadata == nil {
ksg.Metadata = make(map[string]interface{})
}
if ksg.setsIDs == nil {
ksg.setsIDs = make([]string, ksg.n)
}
if ksg.setsMetadata == nil {
ksg.setsMetadata = make([]map[string]interface{}, ksg.n)
for i := range ksg.setsMetadata {
ksg.setsMetadata[i] = make(map[string]interface{})
}
}
if ksg.counts == nil {
// Compute counts by scanning partitions
ksg.counts = make([]uint64, ksg.n)
for s := 0; s < ksg.n; s++ {
for p := 0; p < ksg.partitions; p++ {
path := ksg.partitionPath(s, p)
r, err := NewKdiReader(path)
if err != nil {
continue
}
ksg.counts[s] += r.Count()
r.Close()
}
}
}
return ksg, nil
}
// NewFilteredKmerSetGroup creates a KmerSetGroup from pre-computed data.
// Used by the filter command to construct a new group after filtering partitions.
func NewFilteredKmerSetGroup(
directory string, k, m, partitions, n int,
setsIDs []string, counts []uint64,
setsMetadata []map[string]interface{},
) (*KmerSetGroup, error) {
ksg := &KmerSetGroup{
path: directory,
k: k,
m: m,
partitions: partitions,
n: n,
setsIDs: setsIDs,
counts: counts,
setsMetadata: setsMetadata,
Metadata: make(map[string]interface{}),
}
return ksg, nil
}
// SaveMetadata writes the metadata.toml file. This is useful after
// modifying attributes or IDs on an already-finalized index.
func (ksg *KmerSetGroup) SaveMetadata() error {
return ksg.saveMetadata()
}
// saveMetadata writes the metadata.toml file (internal).
func (ksg *KmerSetGroup) saveMetadata() error {
meta := diskMetadata{
ID: ksg.id,
K: ksg.k,
M: ksg.m,
Partitions: ksg.partitions,
Type: "KmerSetGroup",
Size: ksg.n,
SetsIDs: ksg.setsIDs,
Counts: ksg.counts,
SetsMetadata: ksg.setsMetadata,
UserMetadata: ksg.Metadata,
}
metaPath := filepath.Join(ksg.path, "metadata.toml")
f, err := os.Create(metaPath)
if err != nil {
return err
}
defer f.Close()
return toml.NewEncoder(f).Encode(meta)
}
// partitionPath returns the file path for partition p of set s.
func (ksg *KmerSetGroup) partitionPath(setIndex, partIndex int) string {
return filepath.Join(ksg.path, fmt.Sprintf("set_%d", setIndex),
fmt.Sprintf("part_%04d.kdi", partIndex))
}
// Path returns the root directory of the index.
func (ksg *KmerSetGroup) Path() string {
return ksg.path
}
// K returns the k-mer size.
func (ksg *KmerSetGroup) K() int {
return ksg.k
}
// M returns the minimizer size.
func (ksg *KmerSetGroup) M() int {
return ksg.m
}
// Partitions returns the number of partitions P.
func (ksg *KmerSetGroup) Partitions() int {
return ksg.partitions
}
// Size returns the number of sets N.
func (ksg *KmerSetGroup) Size() int {
return ksg.n
}
// Id returns the group identifier.
func (ksg *KmerSetGroup) Id() string {
return ksg.id
}
// SetId sets the group identifier and persists the change.
func (ksg *KmerSetGroup) SetId(id string) {
ksg.id = id
}
// Len returns the total number of k-mers.
// Without argument: total across all sets.
// With argument setIndex: count for that specific set.
func (ksg *KmerSetGroup) Len(setIndex ...int) uint64 {
if len(setIndex) == 0 {
var total uint64
for _, c := range ksg.counts {
total += c
}
return total
}
idx := setIndex[0]
if idx < 0 || idx >= ksg.n {
return 0
}
return ksg.counts[idx]
}
// Contains checks if a k-mer is present in the specified set.
// Uses the .kdx sparse index (if available) for fast seeking within
// each partition, then a short linear scan of at most `stride` entries.
// All partitions are searched in parallel since the k-mer's partition
// is not known without its minimizer context.
func (ksg *KmerSetGroup) Contains(setIndex int, kmer uint64) bool {
if setIndex < 0 || setIndex >= ksg.n {
return false
}
type result struct {
found bool
}
ch := make(chan result, ksg.partitions)
for p := 0; p < ksg.partitions; p++ {
go func(part int) {
r, err := NewKdiIndexedReader(ksg.partitionPath(setIndex, part))
if err != nil {
ch <- result{false}
return
}
defer r.Close()
// Use index to jump near the target
if err := r.SeekTo(kmer); err != nil {
ch <- result{false}
return
}
// Linear scan from the seek position
for {
v, ok := r.Next()
if !ok {
ch <- result{false}
return
}
if v == kmer {
ch <- result{true}
return
}
if v > kmer {
ch <- result{false}
return
}
}
}(p)
}
for i := 0; i < ksg.partitions; i++ {
res := <-ch
if res.found {
// Drain remaining goroutines
go func() {
for j := i + 1; j < ksg.partitions; j++ {
<-ch
}
}()
return true
}
}
return false
}
// Iterator returns an iterator over all k-mers in the specified set,
// in sorted order within each partition. Since partitions are independent,
// to get a globally sorted stream, use iteratorSorted.
func (ksg *KmerSetGroup) Iterator(setIndex int) iter.Seq[uint64] {
return func(yield func(uint64) bool) {
if setIndex < 0 || setIndex >= ksg.n {
return
}
// Open all partition readers and merge them
readers := make([]*KdiReader, 0, ksg.partitions)
for p := 0; p < ksg.partitions; p++ {
r, err := NewKdiReader(ksg.partitionPath(setIndex, p))
if err != nil {
continue
}
if r.Count() > 0 {
readers = append(readers, r)
} else {
r.Close()
}
}
if len(readers) == 0 {
return
}
m := NewKWayMerge(readers)
defer m.Close()
for {
kmer, _, ok := m.Next()
if !ok {
return
}
if !yield(kmer) {
return
}
}
}
}
// ==============================
// Attribute API (compatible with old API)
// ==============================
// HasAttribute checks if a metadata key exists.
func (ksg *KmerSetGroup) HasAttribute(key string) bool {
_, ok := ksg.Metadata[key]
return ok
}
// GetAttribute returns the value of an attribute.
func (ksg *KmerSetGroup) GetAttribute(key string) (interface{}, bool) {
switch key {
case "id":
return ksg.Id(), true
case "k":
return ksg.K(), true
default:
value, ok := ksg.Metadata[key]
return value, ok
}
}
// SetAttribute sets a metadata attribute.
func (ksg *KmerSetGroup) SetAttribute(key string, value interface{}) {
switch key {
case "id":
if id, ok := value.(string); ok {
ksg.SetId(id)
} else {
panic(fmt.Sprintf("id must be a string, got %T", value))
}
case "k":
panic("k is immutable")
default:
ksg.Metadata[key] = value
}
}
// DeleteAttribute removes a metadata attribute.
func (ksg *KmerSetGroup) DeleteAttribute(key string) {
delete(ksg.Metadata, key)
}
// GetIntAttribute returns an attribute as int.
func (ksg *KmerSetGroup) GetIntAttribute(key string) (int, bool) {
v, ok := ksg.GetAttribute(key)
if !ok {
return 0, false
}
switch val := v.(type) {
case int:
return val, true
case int64:
return int(val), true
case float64:
return int(val), true
}
return 0, false
}
// GetStringAttribute returns an attribute as string.
func (ksg *KmerSetGroup) GetStringAttribute(key string) (string, bool) {
v, ok := ksg.GetAttribute(key)
if !ok {
return "", false
}
if s, ok := v.(string); ok {
return s, true
}
return fmt.Sprintf("%v", v), true
}
// ==============================
// Jaccard metrics (streaming, disk-based)
// ==============================
// JaccardDistanceMatrix computes a pairwise Jaccard distance matrix
// for all sets in the group. Operates partition by partition in streaming.
func (ksg *KmerSetGroup) JaccardDistanceMatrix() *obidist.DistMatrix {
n := ksg.n
labels := make([]string, n)
for i := 0; i < n; i++ {
if i < len(ksg.setsIDs) && ksg.setsIDs[i] != "" {
labels[i] = ksg.setsIDs[i]
} else {
labels[i] = fmt.Sprintf("set_%d", i)
}
}
dm := obidist.NewDistMatrixWithLabels(labels)
// Accumulate intersection and union counts
intersections := make([][]uint64, n)
unions := make([][]uint64, n)
for i := 0; i < n; i++ {
intersections[i] = make([]uint64, n)
unions[i] = make([]uint64, n)
}
// Process partition by partition
var mu sync.Mutex
var wg sync.WaitGroup
for p := 0; p < ksg.partitions; p++ {
wg.Add(1)
go func(part int) {
defer wg.Done()
// Open all set readers for this partition
readers := make([]*KdiReader, n)
for s := 0; s < n; s++ {
r, err := NewKdiReader(ksg.partitionPath(s, part))
if err != nil {
continue
}
readers[s] = r
}
defer func() {
for _, r := range readers {
if r != nil {
r.Close()
}
}
}()
// Merge all N readers to count intersections and unions
activeReaders := make([]*KdiReader, 0, n)
activeIndices := make([]int, 0, n)
for i, r := range readers {
if r != nil && r.Count() > 0 {
activeReaders = append(activeReaders, r)
activeIndices = append(activeIndices, i)
}
}
if len(activeReaders) == 0 {
return
}
merge := NewKWayMerge(activeReaders)
// Don't close merge here since readers are managed above
// We only want to iterate
// We need per-set presence tracking, so we use a custom merge
// Rebuild with a direct approach
merge.Close() // close the merge (which closes readers)
// Reopen readers for custom merge
for s := 0; s < n; s++ {
readers[s] = nil
r, err := NewKdiReader(ksg.partitionPath(s, part))
if err != nil {
continue
}
if r.Count() > 0 {
readers[s] = r
} else {
r.Close()
}
}
// Custom k-way merge that tracks which sets contain each kmer
type entry struct {
val uint64
setIdx int
}
// Use a simpler approach: read all values for this partition into memory
// for each set, then do a merge
setKmers := make([][]uint64, n)
for s := 0; s < n; s++ {
if readers[s] == nil {
continue
}
kmers := make([]uint64, 0, readers[s].Count())
for {
v, ok := readers[s].Next()
if !ok {
break
}
kmers = append(kmers, v)
}
setKmers[s] = kmers
readers[s].Close()
readers[s] = nil
}
// Count pairwise intersections using sorted merge
// For each pair (i,j), count kmers present in both
localInter := make([][]uint64, n)
localUnion := make([][]uint64, n)
for i := 0; i < n; i++ {
localInter[i] = make([]uint64, n)
localUnion[i] = make([]uint64, n)
}
for i := 0; i < n; i++ {
localUnion[i][i] = uint64(len(setKmers[i]))
for j := i + 1; j < n; j++ {
a, b := setKmers[i], setKmers[j]
var inter uint64
ai, bi := 0, 0
for ai < len(a) && bi < len(b) {
if a[ai] == b[bi] {
inter++
ai++
bi++
} else if a[ai] < b[bi] {
ai++
} else {
bi++
}
}
localInter[i][j] = inter
localUnion[i][j] = uint64(len(a)) + uint64(len(b)) - inter
}
}
mu.Lock()
for i := 0; i < n; i++ {
for j := i; j < n; j++ {
intersections[i][j] += localInter[i][j]
unions[i][j] += localUnion[i][j]
}
}
mu.Unlock()
}(p)
}
wg.Wait()
// Compute distances from accumulated counts
for i := 0; i < n-1; i++ {
for j := i + 1; j < n; j++ {
u := unions[i][j]
if u == 0 {
dm.Set(i, j, 1.0)
} else {
dm.Set(i, j, 1.0-float64(intersections[i][j])/float64(u))
}
}
}
return dm
}
// JaccardSimilarityMatrix computes a pairwise Jaccard similarity matrix.
func (ksg *KmerSetGroup) JaccardSimilarityMatrix() *obidist.DistMatrix {
n := ksg.n
labels := make([]string, n)
for i := 0; i < n; i++ {
if i < len(ksg.setsIDs) && ksg.setsIDs[i] != "" {
labels[i] = ksg.setsIDs[i]
} else {
labels[i] = fmt.Sprintf("set_%d", i)
}
}
// Reuse distance computation
dm := ksg.JaccardDistanceMatrix()
sm := obidist.NewSimilarityMatrixWithLabels(labels)
for i := 0; i < n-1; i++ {
for j := i + 1; j < n; j++ {
sm.Set(i, j, 1.0-dm.Get(i, j))
}
}
return sm
}
// ==============================
// Set ID accessors
// ==============================
// SetsIDs returns a copy of the per-set string identifiers.
func (ksg *KmerSetGroup) SetsIDs() []string {
out := make([]string, len(ksg.setsIDs))
copy(out, ksg.setsIDs)
return out
}
// SetIDOf returns the string ID of the set at the given index.
// Returns "" if index is out of range.
func (ksg *KmerSetGroup) SetIDOf(index int) string {
if index < 0 || index >= ksg.n {
return ""
}
return ksg.setsIDs[index]
}
// SetSetID sets the string ID of the set at the given index.
func (ksg *KmerSetGroup) SetSetID(index int, id string) {
if index >= 0 && index < ksg.n {
ksg.setsIDs[index] = id
}
}
// IndexOfSetID returns the numeric index for a set ID, or -1 if not found.
func (ksg *KmerSetGroup) IndexOfSetID(id string) int {
for i, sid := range ksg.setsIDs {
if sid == id {
return i
}
}
return -1
}
// MatchSetIDs resolves glob patterns against set IDs and returns matching
// indices sorted in ascending order. Uses path.Match for pattern matching
// (supports *, ?, [...] patterns). Returns error if a pattern is malformed.
func (ksg *KmerSetGroup) MatchSetIDs(patterns []string) ([]int, error) {
seen := make(map[int]bool)
for _, pattern := range patterns {
for i, sid := range ksg.setsIDs {
matched, err := path.Match(pattern, sid)
if err != nil {
return nil, fmt.Errorf("obikmer: invalid glob pattern %q: %w", pattern, err)
}
if matched {
seen[i] = true
}
}
}
result := make([]int, 0, len(seen))
for idx := range seen {
result = append(result, idx)
}
sort.Ints(result)
return result, nil
}
// ==============================
// Per-set metadata accessors
// ==============================
// GetSetMetadata returns the value of a per-set metadata key.
func (ksg *KmerSetGroup) GetSetMetadata(setIndex int, key string) (interface{}, bool) {
if setIndex < 0 || setIndex >= ksg.n {
return nil, false
}
v, ok := ksg.setsMetadata[setIndex][key]
return v, ok
}
// SetSetMetadata sets a per-set metadata attribute.
func (ksg *KmerSetGroup) SetSetMetadata(setIndex int, key string, value interface{}) {
if setIndex < 0 || setIndex >= ksg.n {
return
}
if ksg.setsMetadata[setIndex] == nil {
ksg.setsMetadata[setIndex] = make(map[string]interface{})
}
ksg.setsMetadata[setIndex][key] = value
}
// DeleteSetMetadata removes a per-set metadata attribute.
func (ksg *KmerSetGroup) DeleteSetMetadata(setIndex int, key string) {
if setIndex < 0 || setIndex >= ksg.n {
return
}
delete(ksg.setsMetadata[setIndex], key)
}
// AllSetMetadata returns a copy of all metadata for a given set.
func (ksg *KmerSetGroup) AllSetMetadata(setIndex int) map[string]interface{} {
if setIndex < 0 || setIndex >= ksg.n {
return nil
}
out := make(map[string]interface{}, len(ksg.setsMetadata[setIndex]))
for k, v := range ksg.setsMetadata[setIndex] {
out[k] = v
}
return out
}
// ==============================
// Exported partition path and compatibility
// ==============================
// PartitionPath returns the file path for partition partIndex of set setIndex.
func (ksg *KmerSetGroup) PartitionPath(setIndex, partIndex int) string {
return ksg.partitionPath(setIndex, partIndex)
}
// SpectrumPath returns the path to the spectrum.bin file for the given set.
func (ksg *KmerSetGroup) SpectrumPath(setIndex int) string {
return filepath.Join(ksg.path, fmt.Sprintf("set_%d", setIndex), "spectrum.bin")
}
// Spectrum reads the k-mer frequency spectrum for the given set.
// Returns nil, nil if no spectrum file exists.
func (ksg *KmerSetGroup) Spectrum(setIndex int) (*KmerSpectrum, error) {
path := ksg.SpectrumPath(setIndex)
if _, err := os.Stat(path); os.IsNotExist(err) {
return nil, nil
}
return ReadSpectrum(path)
}
// IsCompatibleWith returns true if the other group has the same k, m, and partitions.
func (ksg *KmerSetGroup) IsCompatibleWith(other *KmerSetGroup) bool {
return ksg.k == other.k && ksg.m == other.m && ksg.partitions == other.partitions
}
// ==============================
// Set management operations
// ==============================
// NewEmptyCompatible creates an empty KmerSetGroup at destDir with the same
// k, m, and partitions as this group. The destination must not already exist.
func (ksg *KmerSetGroup) NewEmptyCompatible(destDir string) (*KmerSetGroup, error) {
if err := os.MkdirAll(destDir, 0755); err != nil {
return nil, fmt.Errorf("obikmer: create directory: %w", err)
}
dest := &KmerSetGroup{
path: destDir,
k: ksg.k,
m: ksg.m,
partitions: ksg.partitions,
n: 0,
setsIDs: []string{},
counts: []uint64{},
setsMetadata: []map[string]interface{}{},
Metadata: make(map[string]interface{}),
}
if err := dest.saveMetadata(); err != nil {
return nil, fmt.Errorf("obikmer: write metadata: %w", err)
}
return dest, nil
}
// RemoveSetByID removes the set with the given ID from the group.
// It deletes the set directory, renumbers all subsequent sets, and
// updates the metadata on disk.
func (ksg *KmerSetGroup) RemoveSetByID(id string) error {
idx := ksg.IndexOfSetID(id)
if idx < 0 {
return fmt.Errorf("obikmer: set ID %q not found", id)
}
// Delete the set directory
setDir := filepath.Join(ksg.path, fmt.Sprintf("set_%d", idx))
if err := os.RemoveAll(setDir); err != nil {
return fmt.Errorf("obikmer: remove set directory: %w", err)
}
// Renumber subsequent sets
for i := idx + 1; i < ksg.n; i++ {
oldDir := filepath.Join(ksg.path, fmt.Sprintf("set_%d", i))
newDir := filepath.Join(ksg.path, fmt.Sprintf("set_%d", i-1))
if err := os.Rename(oldDir, newDir); err != nil {
return fmt.Errorf("obikmer: rename set_%d to set_%d: %w", i, i-1, err)
}
}
// Update slices
ksg.setsIDs = append(ksg.setsIDs[:idx], ksg.setsIDs[idx+1:]...)
ksg.counts = append(ksg.counts[:idx], ksg.counts[idx+1:]...)
ksg.setsMetadata = append(ksg.setsMetadata[:idx], ksg.setsMetadata[idx+1:]...)
ksg.n--
return ksg.saveMetadata()
}
// CopySetsByIDTo copies sets identified by their IDs into a KmerSetGroup
// at destDir. If destDir does not exist, a new compatible empty group is
// created. If it exists, compatibility (k, m, partitions) is checked.
// If a set ID already exists in the destination, an error is returned
// unless force is true (in which case the existing set is replaced).
// Per-set metadata travels with the set.
func (ksg *KmerSetGroup) CopySetsByIDTo(ids []string, destDir string, force bool) (*KmerSetGroup, error) {
// Resolve source IDs to indices
srcIndices := make([]int, len(ids))
for i, id := range ids {
idx := ksg.IndexOfSetID(id)
if idx < 0 {
return nil, fmt.Errorf("obikmer: source set ID %q not found", id)
}
srcIndices[i] = idx
}
// Open or create destination
var dest *KmerSetGroup
metaPath := filepath.Join(destDir, "metadata.toml")
if _, err := os.Stat(metaPath); err == nil {
// Destination exists
dest, err = OpenKmerSetGroup(destDir)
if err != nil {
return nil, fmt.Errorf("obikmer: open destination: %w", err)
}
if !ksg.IsCompatibleWith(dest) {
return nil, fmt.Errorf("obikmer: incompatible groups: source (k=%d, m=%d, P=%d) vs dest (k=%d, m=%d, P=%d)",
ksg.k, ksg.m, ksg.partitions, dest.k, dest.m, dest.partitions)
}
} else {
// Create new destination
var err error
dest, err = ksg.NewEmptyCompatible(destDir)
if err != nil {
return nil, err
}
}
// Copy each set
for i, srcIdx := range srcIndices {
srcID := ids[i]
// Check for ID conflict in destination
existingIdx := dest.IndexOfSetID(srcID)
if existingIdx >= 0 {
if !force {
return nil, fmt.Errorf("obikmer: set ID %q already exists in destination (use force to replace)", srcID)
}
// Force: remove existing set in destination
if err := dest.RemoveSetByID(srcID); err != nil {
return nil, fmt.Errorf("obikmer: remove existing set %q in destination: %w", srcID, err)
}
}
// Destination set index = current dest size
destIdx := dest.n
// Create destination set directory
destSetDir := filepath.Join(destDir, fmt.Sprintf("set_%d", destIdx))
if err := os.MkdirAll(destSetDir, 0755); err != nil {
return nil, fmt.Errorf("obikmer: create dest set dir: %w", err)
}
// Copy all partition files and their .kdx indices
for p := 0; p < ksg.partitions; p++ {
srcPath := ksg.partitionPath(srcIdx, p)
destPath := dest.partitionPath(destIdx, p)
if err := copyFile(srcPath, destPath); err != nil {
return nil, fmt.Errorf("obikmer: copy partition %d of set %q: %w", p, srcID, err)
}
// Copy .kdx index if it exists
srcKdx := KdxPathForKdi(srcPath)
if _, err := os.Stat(srcKdx); err == nil {
destKdx := KdxPathForKdi(destPath)
if err := copyFile(srcKdx, destKdx); err != nil {
return nil, fmt.Errorf("obikmer: copy index %d of set %q: %w", p, srcID, err)
}
}
}
// Copy spectrum.bin if it exists
srcSpecPath := ksg.SpectrumPath(srcIdx)
if _, err := os.Stat(srcSpecPath); err == nil {
destSpecPath := filepath.Join(destSetDir, "spectrum.bin")
if err := copyFile(srcSpecPath, destSpecPath); err != nil {
return nil, fmt.Errorf("obikmer: copy spectrum of set %q: %w", srcID, err)
}
}
// Update destination metadata
dest.setsIDs = append(dest.setsIDs, srcID)
dest.counts = append(dest.counts, ksg.counts[srcIdx])
// Copy per-set metadata
srcMeta := ksg.AllSetMetadata(srcIdx)
if srcMeta == nil {
srcMeta = make(map[string]interface{})
}
dest.setsMetadata = append(dest.setsMetadata, srcMeta)
dest.n++
}
if err := dest.saveMetadata(); err != nil {
return nil, fmt.Errorf("obikmer: save destination metadata: %w", err)
}
return dest, nil
}
// copyFile copies a file from src to dst.
func copyFile(src, dst string) error {
in, err := os.Open(src)
if err != nil {
return err
}
defer in.Close()
out, err := os.Create(dst)
if err != nil {
return err
}
defer out.Close()
if _, err := io.Copy(out, in); err != nil {
return err
}
return out.Close()
}

View File

@@ -0,0 +1,568 @@
package obikmer
import (
"fmt"
"os"
"path/filepath"
"runtime"
"sync"
)
// Union computes the union of all sets in the group, producing a new
// singleton KmerSetGroup on disk. A k-mer is in the result if it
// appears in any set.
func (ksg *KmerSetGroup) Union(outputDir string) (*KmerSetGroup, error) {
return ksg.quorumOp(outputDir, 1, ksg.n)
}
// Intersect computes the intersection of all sets, producing a new
// singleton KmerSetGroup on disk. A k-mer is in the result if it
// appears in every set.
func (ksg *KmerSetGroup) Intersect(outputDir string) (*KmerSetGroup, error) {
return ksg.quorumOp(outputDir, ksg.n, ksg.n)
}
// Difference computes set_0 minus the union of all other sets.
func (ksg *KmerSetGroup) Difference(outputDir string) (*KmerSetGroup, error) {
return ksg.differenceOp(outputDir)
}
// QuorumAtLeast returns k-mers present in at least q sets.
func (ksg *KmerSetGroup) QuorumAtLeast(q int, outputDir string) (*KmerSetGroup, error) {
return ksg.quorumOp(outputDir, q, ksg.n)
}
// QuorumExactly returns k-mers present in exactly q sets.
func (ksg *KmerSetGroup) QuorumExactly(q int, outputDir string) (*KmerSetGroup, error) {
return ksg.quorumOp(outputDir, q, q)
}
// QuorumAtMost returns k-mers present in at most q sets.
func (ksg *KmerSetGroup) QuorumAtMost(q int, outputDir string) (*KmerSetGroup, error) {
return ksg.quorumOp(outputDir, 1, q)
}
// UnionWith merges this group with another, producing a new KmerSetGroup
// whose set_i is the union of this.set_i and other.set_i.
// Both groups must have the same k, m, P, and N.
func (ksg *KmerSetGroup) UnionWith(other *KmerSetGroup, outputDir string) (*KmerSetGroup, error) {
if err := ksg.checkCompatible(other); err != nil {
return nil, err
}
return ksg.pairwiseOp(other, outputDir, mergeUnion)
}
// IntersectWith merges this group with another, producing a new KmerSetGroup
// whose set_i is the intersection of this.set_i and other.set_i.
func (ksg *KmerSetGroup) IntersectWith(other *KmerSetGroup, outputDir string) (*KmerSetGroup, error) {
if err := ksg.checkCompatible(other); err != nil {
return nil, err
}
return ksg.pairwiseOp(other, outputDir, mergeIntersect)
}
// ==============================
// Internal implementation
// ==============================
func (ksg *KmerSetGroup) checkCompatible(other *KmerSetGroup) error {
if ksg.k != other.k {
return fmt.Errorf("obikmer: incompatible k: %d vs %d", ksg.k, other.k)
}
if ksg.m != other.m {
return fmt.Errorf("obikmer: incompatible m: %d vs %d", ksg.m, other.m)
}
if ksg.partitions != other.partitions {
return fmt.Errorf("obikmer: incompatible partitions: %d vs %d", ksg.partitions, other.partitions)
}
if ksg.n != other.n {
return fmt.Errorf("obikmer: incompatible size: %d vs %d", ksg.n, other.n)
}
return nil
}
// quorumOp processes all N sets partition by partition.
// For each partition, it opens N KdiReaders and does a k-way merge.
// A kmer is written to the result if minQ <= count <= maxQ.
func (ksg *KmerSetGroup) quorumOp(outputDir string, minQ, maxQ int) (*KmerSetGroup, error) {
if minQ < 1 {
minQ = 1
}
if maxQ > ksg.n {
maxQ = ksg.n
}
// Create output structure
setDir := filepath.Join(outputDir, "set_0")
if err := os.MkdirAll(setDir, 0755); err != nil {
return nil, err
}
counts := make([]uint64, ksg.partitions)
nWorkers := runtime.NumCPU()
if nWorkers > ksg.partitions {
nWorkers = ksg.partitions
}
jobs := make(chan int, ksg.partitions)
var wg sync.WaitGroup
var errMu sync.Mutex
var firstErr error
for w := 0; w < nWorkers; w++ {
wg.Add(1)
go func() {
defer wg.Done()
for p := range jobs {
c, err := ksg.quorumPartition(p, setDir, minQ, maxQ)
if err != nil {
errMu.Lock()
if firstErr == nil {
firstErr = err
}
errMu.Unlock()
return
}
counts[p] = c
}
}()
}
for p := 0; p < ksg.partitions; p++ {
jobs <- p
}
close(jobs)
wg.Wait()
if firstErr != nil {
return nil, firstErr
}
var totalCount uint64
for _, c := range counts {
totalCount += c
}
result := &KmerSetGroup{
path: outputDir,
k: ksg.k,
m: ksg.m,
partitions: ksg.partitions,
n: 1,
setsIDs: []string{""},
counts: []uint64{totalCount},
Metadata: make(map[string]interface{}),
}
if err := result.saveMetadata(); err != nil {
return nil, err
}
return result, nil
}
// quorumPartition processes a single partition for quorum filtering.
func (ksg *KmerSetGroup) quorumPartition(partIdx int, outSetDir string, minQ, maxQ int) (uint64, error) {
// Open readers for all sets
readers := make([]*KdiReader, 0, ksg.n)
for s := 0; s < ksg.n; s++ {
r, err := NewKdiReader(ksg.partitionPath(s, partIdx))
if err != nil {
// Close already-opened readers
for _, rr := range readers {
rr.Close()
}
return 0, err
}
if r.Count() > 0 {
readers = append(readers, r)
} else {
r.Close()
}
}
outPath := filepath.Join(outSetDir, fmt.Sprintf("part_%04d.kdi", partIdx))
if len(readers) == 0 {
// Write empty KDI
w, err := NewKdiWriter(outPath)
if err != nil {
return 0, err
}
return 0, w.Close()
}
merge := NewKWayMerge(readers)
// merge.Close() will close readers
w, err := NewKdiWriter(outPath)
if err != nil {
merge.Close()
return 0, err
}
for {
kmer, count, ok := merge.Next()
if !ok {
break
}
if count >= minQ && count <= maxQ {
if err := w.Write(kmer); err != nil {
merge.Close()
w.Close()
return 0, err
}
}
}
merge.Close()
cnt := w.Count()
return cnt, w.Close()
}
// differenceOp computes set_0 minus the union of all other sets.
func (ksg *KmerSetGroup) differenceOp(outputDir string) (*KmerSetGroup, error) {
if ksg.n < 1 {
return nil, fmt.Errorf("obikmer: difference requires at least 1 set")
}
setDir := filepath.Join(outputDir, "set_0")
if err := os.MkdirAll(setDir, 0755); err != nil {
return nil, err
}
counts := make([]uint64, ksg.partitions)
nWorkers := runtime.NumCPU()
if nWorkers > ksg.partitions {
nWorkers = ksg.partitions
}
jobs := make(chan int, ksg.partitions)
var wg sync.WaitGroup
var errMu sync.Mutex
var firstErr error
for w := 0; w < nWorkers; w++ {
wg.Add(1)
go func() {
defer wg.Done()
for p := range jobs {
c, err := ksg.differencePartition(p, setDir)
if err != nil {
errMu.Lock()
if firstErr == nil {
firstErr = err
}
errMu.Unlock()
return
}
counts[p] = c
}
}()
}
for p := 0; p < ksg.partitions; p++ {
jobs <- p
}
close(jobs)
wg.Wait()
if firstErr != nil {
return nil, firstErr
}
var totalCount uint64
for _, c := range counts {
totalCount += c
}
result := &KmerSetGroup{
path: outputDir,
k: ksg.k,
m: ksg.m,
partitions: ksg.partitions,
n: 1,
setsIDs: []string{""},
counts: []uint64{totalCount},
Metadata: make(map[string]interface{}),
}
if err := result.saveMetadata(); err != nil {
return nil, err
}
return result, nil
}
// differencePartition computes set_0 - union(set_1..set_{n-1}) for one partition.
func (ksg *KmerSetGroup) differencePartition(partIdx int, outSetDir string) (uint64, error) {
outPath := filepath.Join(outSetDir, fmt.Sprintf("part_%04d.kdi", partIdx))
// Open set_0 reader
r0, err := NewKdiReader(ksg.partitionPath(0, partIdx))
if err != nil {
return 0, err
}
if r0.Count() == 0 {
r0.Close()
w, err := NewKdiWriter(outPath)
if err != nil {
return 0, err
}
return 0, w.Close()
}
// Open readers for the other sets and merge them
var otherReaders []*KdiReader
for s := 1; s < ksg.n; s++ {
r, err := NewKdiReader(ksg.partitionPath(s, partIdx))
if err != nil {
r0.Close()
for _, rr := range otherReaders {
rr.Close()
}
return 0, err
}
if r.Count() > 0 {
otherReaders = append(otherReaders, r)
} else {
r.Close()
}
}
w, err := NewKdiWriter(outPath)
if err != nil {
r0.Close()
for _, rr := range otherReaders {
rr.Close()
}
return 0, err
}
if len(otherReaders) == 0 {
// No other sets — copy set_0
for {
v, ok := r0.Next()
if !ok {
break
}
if err := w.Write(v); err != nil {
r0.Close()
w.Close()
return 0, err
}
}
r0.Close()
cnt := w.Count()
return cnt, w.Close()
}
// Merge other sets to get the "subtraction" stream
otherMerge := NewKWayMerge(otherReaders)
// Streaming difference: advance both streams
v0, ok0 := r0.Next()
vo, _, oko := otherMerge.Next()
for ok0 {
if !oko || v0 < vo {
// v0 not in others → emit
if err := w.Write(v0); err != nil {
r0.Close()
otherMerge.Close()
w.Close()
return 0, err
}
v0, ok0 = r0.Next()
} else if v0 == vo {
// v0 in others → skip
v0, ok0 = r0.Next()
vo, _, oko = otherMerge.Next()
} else {
// vo < v0 → advance others
vo, _, oko = otherMerge.Next()
}
}
r0.Close()
otherMerge.Close()
cnt := w.Count()
return cnt, w.Close()
}
// mergeMode defines how to combine two values during pairwise operations.
type mergeMode int
const (
mergeUnion mergeMode = iota // emit if in either
mergeIntersect // emit if in both
)
// pairwiseOp applies a merge operation between corresponding sets of two groups.
func (ksg *KmerSetGroup) pairwiseOp(other *KmerSetGroup, outputDir string, mode mergeMode) (*KmerSetGroup, error) {
for s := 0; s < ksg.n; s++ {
setDir := filepath.Join(outputDir, fmt.Sprintf("set_%d", s))
if err := os.MkdirAll(setDir, 0755); err != nil {
return nil, err
}
}
counts := make([][]uint64, ksg.n)
for s := 0; s < ksg.n; s++ {
counts[s] = make([]uint64, ksg.partitions)
}
nWorkers := runtime.NumCPU()
if nWorkers > ksg.partitions {
nWorkers = ksg.partitions
}
type job struct {
setIdx int
partIdx int
}
jobs := make(chan job, ksg.n*ksg.partitions)
var wg sync.WaitGroup
var errMu sync.Mutex
var firstErr error
for w := 0; w < nWorkers; w++ {
wg.Add(1)
go func() {
defer wg.Done()
for j := range jobs {
c, err := pairwiseMergePartition(
ksg.partitionPath(j.setIdx, j.partIdx),
other.partitionPath(j.setIdx, j.partIdx),
filepath.Join(outputDir, fmt.Sprintf("set_%d", j.setIdx),
fmt.Sprintf("part_%04d.kdi", j.partIdx)),
mode,
)
if err != nil {
errMu.Lock()
if firstErr == nil {
firstErr = err
}
errMu.Unlock()
return
}
counts[j.setIdx][j.partIdx] = c
}
}()
}
for s := 0; s < ksg.n; s++ {
for p := 0; p < ksg.partitions; p++ {
jobs <- job{s, p}
}
}
close(jobs)
wg.Wait()
if firstErr != nil {
return nil, firstErr
}
totalCounts := make([]uint64, ksg.n)
setsIDs := make([]string, ksg.n)
for s := 0; s < ksg.n; s++ {
for p := 0; p < ksg.partitions; p++ {
totalCounts[s] += counts[s][p]
}
}
result := &KmerSetGroup{
path: outputDir,
k: ksg.k,
m: ksg.m,
partitions: ksg.partitions,
n: ksg.n,
setsIDs: setsIDs,
counts: totalCounts,
Metadata: make(map[string]interface{}),
}
if err := result.saveMetadata(); err != nil {
return nil, err
}
return result, nil
}
// pairwiseMergePartition merges two KDI files (sorted streams) with the given mode.
func pairwiseMergePartition(pathA, pathB, outPath string, mode mergeMode) (uint64, error) {
rA, err := NewKdiReader(pathA)
if err != nil {
return 0, err
}
rB, err := NewKdiReader(pathB)
if err != nil {
rA.Close()
return 0, err
}
w, err := NewKdiWriter(outPath)
if err != nil {
rA.Close()
rB.Close()
return 0, err
}
cnt, mergeErr := doPairwiseMerge(rA, rB, w, mode)
rA.Close()
rB.Close()
closeErr := w.Close()
if mergeErr != nil {
return 0, mergeErr
}
return cnt, closeErr
}
func doPairwiseMerge(rA, rB *KdiReader, w *KdiWriter, mode mergeMode) (uint64, error) {
vA, okA := rA.Next()
vB, okB := rB.Next()
for okA && okB {
if vA == vB {
if err := w.Write(vA); err != nil {
return 0, err
}
vA, okA = rA.Next()
vB, okB = rB.Next()
} else if vA < vB {
if mode == mergeUnion {
if err := w.Write(vA); err != nil {
return 0, err
}
}
vA, okA = rA.Next()
} else {
if mode == mergeUnion {
if err := w.Write(vB); err != nil {
return 0, err
}
}
vB, okB = rB.Next()
}
}
if mode == mergeUnion {
for okA {
if err := w.Write(vA); err != nil {
return 0, err
}
vA, okA = rA.Next()
}
for okB {
if err := w.Write(vB); err != nil {
return 0, err
}
vB, okB = rB.Next()
}
}
return w.Count(), nil
}

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@@ -0,0 +1,251 @@
package obikmer
import (
"path/filepath"
"testing"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
)
// buildGroupFromSeqs creates a KmerSetGroup with one set per sequence.
func buildGroupFromSeqs(t *testing.T, dir string, k, m int, seqs []string) *KmerSetGroup {
t.Helper()
n := len(seqs)
builder, err := NewKmerSetGroupBuilder(dir, k, m, n, 64)
if err != nil {
t.Fatal(err)
}
for i, s := range seqs {
seq := obiseq.NewBioSequence("", []byte(s), "")
builder.AddSequence(i, seq)
}
ksg, err := builder.Close()
if err != nil {
t.Fatal(err)
}
return ksg
}
func collectKmers(t *testing.T, ksg *KmerSetGroup, setIdx int) []uint64 {
t.Helper()
var result []uint64
for kmer := range ksg.Iterator(setIdx) {
result = append(result, kmer)
}
return result
}
func TestDiskOpsUnion(t *testing.T) {
dir := t.TempDir()
indexDir := filepath.Join(dir, "index")
outDir := filepath.Join(dir, "union")
// Two sequences with some overlap
seqs := []string{
"ACGATCGATCTAGCTAGCTGATCGATCGATCG",
"CTAGCTAGCTGATCGATCGATCGTTTAAACCC",
}
ksg := buildGroupFromSeqs(t, indexDir, 15, 7, seqs)
result, err := ksg.Union(outDir)
if err != nil {
t.Fatal(err)
}
// Union should have at least as many k-mers as each individual set
unionLen := result.Len(0)
if unionLen == 0 {
t.Fatal("union is empty")
}
if unionLen < ksg.Len(0) || unionLen < ksg.Len(1) {
t.Fatalf("union (%d) smaller than an input set (%d, %d)", unionLen, ksg.Len(0), ksg.Len(1))
}
// Union should not exceed the sum of both sets
if unionLen > ksg.Len(0)+ksg.Len(1) {
t.Fatalf("union (%d) larger than sum of sets (%d)", unionLen, ksg.Len(0)+ksg.Len(1))
}
}
func TestDiskOpsIntersect(t *testing.T) {
dir := t.TempDir()
indexDir := filepath.Join(dir, "index")
outDir := filepath.Join(dir, "intersect")
// Two sequences with some shared k-mers
seqs := []string{
"ACGATCGATCTAGCTAGCTGATCGATCGATCG",
"CTAGCTAGCTGATCGATCGATCGTTTAAACCC",
}
ksg := buildGroupFromSeqs(t, indexDir, 15, 7, seqs)
result, err := ksg.Intersect(outDir)
if err != nil {
t.Fatal(err)
}
interLen := result.Len(0)
// Intersection should not be bigger than any individual set
if interLen > ksg.Len(0) || interLen > ksg.Len(1) {
t.Fatalf("intersection (%d) larger than input sets (%d, %d)", interLen, ksg.Len(0), ksg.Len(1))
}
}
func TestDiskOpsDifference(t *testing.T) {
dir := t.TempDir()
indexDir := filepath.Join(dir, "index")
outDir := filepath.Join(dir, "diff")
seqs := []string{
"ACGATCGATCTAGCTAGCTGATCGATCGATCG",
"CTAGCTAGCTGATCGATCGATCGTTTAAACCC",
}
ksg := buildGroupFromSeqs(t, indexDir, 15, 7, seqs)
result, err := ksg.Difference(outDir)
if err != nil {
t.Fatal(err)
}
diffLen := result.Len(0)
// Difference = set_0 - set_1, so should be <= set_0
if diffLen > ksg.Len(0) {
t.Fatalf("difference (%d) larger than set_0 (%d)", diffLen, ksg.Len(0))
}
}
func TestDiskOpsConsistency(t *testing.T) {
dir := t.TempDir()
indexDir := filepath.Join(dir, "index")
seqs := []string{
"ACGATCGATCTAGCTAGCTGATCGATCGATCG",
"CTAGCTAGCTGATCGATCGATCGTTTAAACCC",
}
ksg := buildGroupFromSeqs(t, indexDir, 15, 7, seqs)
unionResult, err := ksg.Union(filepath.Join(dir, "union"))
if err != nil {
t.Fatal(err)
}
interResult, err := ksg.Intersect(filepath.Join(dir, "intersect"))
if err != nil {
t.Fatal(err)
}
diffResult, err := ksg.Difference(filepath.Join(dir, "diff"))
if err != nil {
t.Fatal(err)
}
unionLen := unionResult.Len(0)
interLen := interResult.Len(0)
diffLen := diffResult.Len(0)
// |A B| = |A| + |B| - |A ∩ B|
expectedUnion := ksg.Len(0) + ksg.Len(1) - interLen
if unionLen != expectedUnion {
t.Fatalf("|AB|=%d, expected |A|+|B|-|A∩B|=%d+%d-%d=%d",
unionLen, ksg.Len(0), ksg.Len(1), interLen, expectedUnion)
}
// |A \ B| = |A| - |A ∩ B|
expectedDiff := ksg.Len(0) - interLen
if diffLen != expectedDiff {
t.Fatalf("|A\\B|=%d, expected |A|-|A∩B|=%d-%d=%d",
diffLen, ksg.Len(0), interLen, expectedDiff)
}
}
func TestDiskOpsQuorum(t *testing.T) {
dir := t.TempDir()
indexDir := filepath.Join(dir, "index")
// Three sets
seqs := []string{
"ACGATCGATCTAGCTAGCTGATCGATCGATCG",
"CTAGCTAGCTGATCGATCGATCGTTTAAACCC",
"GATCGATCGATCGAAATTTCCCGGG",
}
ksg := buildGroupFromSeqs(t, indexDir, 15, 7, seqs)
// QuorumAtLeast(1) = Union
q1, err := ksg.QuorumAtLeast(1, filepath.Join(dir, "q1"))
if err != nil {
t.Fatal(err)
}
union, err := ksg.Union(filepath.Join(dir, "union"))
if err != nil {
t.Fatal(err)
}
if q1.Len(0) != union.Len(0) {
t.Fatalf("QuorumAtLeast(1)=%d != Union=%d", q1.Len(0), union.Len(0))
}
// QuorumAtLeast(3) = Intersect
q3, err := ksg.QuorumAtLeast(3, filepath.Join(dir, "q3"))
if err != nil {
t.Fatal(err)
}
inter, err := ksg.Intersect(filepath.Join(dir, "inter"))
if err != nil {
t.Fatal(err)
}
if q3.Len(0) != inter.Len(0) {
t.Fatalf("QuorumAtLeast(3)=%d != Intersect=%d", q3.Len(0), inter.Len(0))
}
// QuorumAtLeast(2) should be between Intersect and Union
q2, err := ksg.QuorumAtLeast(2, filepath.Join(dir, "q2"))
if err != nil {
t.Fatal(err)
}
if q2.Len(0) < q3.Len(0) || q2.Len(0) > q1.Len(0) {
t.Fatalf("QuorumAtLeast(2)=%d not between intersect=%d and union=%d",
q2.Len(0), q3.Len(0), q1.Len(0))
}
}
func TestDiskOpsJaccard(t *testing.T) {
dir := t.TempDir()
indexDir := filepath.Join(dir, "index")
seqs := []string{
"ACGATCGATCTAGCTAGCTGATCGATCGATCG",
"ACGATCGATCTAGCTAGCTGATCGATCGATCG", // identical to first
"TTTTTTTTTTTTTTTTTTTTTTTTT", // completely different
}
ksg := buildGroupFromSeqs(t, indexDir, 15, 7, seqs)
dm := ksg.JaccardDistanceMatrix()
if dm == nil {
t.Fatal("JaccardDistanceMatrix returned nil")
}
// Identical sets should have distance 0
d01 := dm.Get(0, 1)
if d01 != 0.0 {
t.Fatalf("distance(0,1) = %f, expected 0.0 for identical sets", d01)
}
// Completely different sets should have distance 1.0
d02 := dm.Get(0, 2)
if d02 != 1.0 {
t.Fatalf("distance(0,2) = %f, expected 1.0 for disjoint sets", d02)
}
// Similarity matrix
sm := ksg.JaccardSimilarityMatrix()
if sm == nil {
t.Fatal("JaccardSimilarityMatrix returned nil")
}
s01 := sm.Get(0, 1)
if s01 != 1.0 {
t.Fatalf("similarity(0,1) = %f, expected 1.0 for identical sets", s01)
}
s02 := sm.Get(0, 2)
if s02 != 0.0 {
t.Fatalf("similarity(0,2) = %f, expected 0.0 for disjoint sets", s02)
}
}

View File

@@ -1,339 +0,0 @@
package obikmer
import (
"fmt"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidist"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
)
// KmerSetGroup represents a vector of KmerSet
// Used to manage multiple k-mer sets (for example, by frequency level)
type KmerSetGroup struct {
id string // Unique identifier of the KmerSetGroup
k int // Size of k-mers (immutable)
sets []*KmerSet // Vector of KmerSet
Metadata map[string]interface{} // Group metadata (not individual sets)
}
// NewKmerSetGroup creates a new group of n KmerSets
func NewKmerSetGroup(k int, n int) *KmerSetGroup {
if n < 1 {
panic("KmerSetGroup size must be >= 1")
}
sets := make([]*KmerSet, n)
for i := range sets {
sets[i] = NewKmerSet(k)
}
return &KmerSetGroup{
k: k,
sets: sets,
Metadata: make(map[string]interface{}),
}
}
// K returns the size of k-mers (immutable)
func (ksg *KmerSetGroup) K() int {
return ksg.k
}
// Size returns the number of KmerSet in the group
func (ksg *KmerSetGroup) Size() int {
return len(ksg.sets)
}
// Get returns the KmerSet at the given index
// Returns nil if the index is invalid
func (ksg *KmerSetGroup) Get(index int) *KmerSet {
if index < 0 || index >= len(ksg.sets) {
return nil
}
return ksg.sets[index]
}
// Set replaces the KmerSet at the given index
// Panics if the index is invalid or if k does not match
func (ksg *KmerSetGroup) Set(index int, ks *KmerSet) {
if index < 0 || index >= len(ksg.sets) {
panic(fmt.Sprintf("Index out of bounds: %d (size: %d)", index, len(ksg.sets)))
}
if ks.k != ksg.k {
panic(fmt.Sprintf("KmerSet k mismatch: expected %d, got %d", ksg.k, ks.k))
}
ksg.sets[index] = ks
}
// Len returns the number of k-mers in a specific KmerSet
// Without argument: returns the number of k-mers in the last KmerSet
// With argument index: returns the number of k-mers in the KmerSet at this index
func (ksg *KmerSetGroup) Len(index ...int) uint64 {
if len(index) == 0 {
// Without argument: last KmerSet
return ksg.sets[len(ksg.sets)-1].Len()
}
// With argument: specific KmerSet
idx := index[0]
if idx < 0 || idx >= len(ksg.sets) {
return 0
}
return ksg.sets[idx].Len()
}
// MemoryUsage returns the total memory usage in bytes
func (ksg *KmerSetGroup) MemoryUsage() uint64 {
total := uint64(0)
for _, ks := range ksg.sets {
total += ks.MemoryUsage()
}
return total
}
// Clear empties all KmerSet in the group
func (ksg *KmerSetGroup) Clear() {
for _, ks := range ksg.sets {
ks.Clear()
}
}
// Copy creates a complete copy of the group (consistent with BioSequence.Copy)
func (ksg *KmerSetGroup) Copy() *KmerSetGroup {
copiedSets := make([]*KmerSet, len(ksg.sets))
for i, ks := range ksg.sets {
copiedSets[i] = ks.Copy() // Copy each KmerSet with its metadata
}
// Copy group metadata
groupMetadata := make(map[string]interface{}, len(ksg.Metadata))
for k, v := range ksg.Metadata {
groupMetadata[k] = v
}
return &KmerSetGroup{
id: ksg.id,
k: ksg.k,
sets: copiedSets,
Metadata: groupMetadata,
}
}
// Id returns the identifier of the KmerSetGroup (consistent with BioSequence.Id)
func (ksg *KmerSetGroup) Id() string {
return ksg.id
}
// SetId sets the identifier of the KmerSetGroup (consistent with BioSequence.SetId)
func (ksg *KmerSetGroup) SetId(id string) {
ksg.id = id
}
// AddSequence adds all k-mers from a sequence to a specific KmerSet
func (ksg *KmerSetGroup) AddSequence(seq *obiseq.BioSequence, index int) {
if index < 0 || index >= len(ksg.sets) {
panic(fmt.Sprintf("Index out of bounds: %d (size: %d)", index, len(ksg.sets)))
}
ksg.sets[index].AddSequence(seq)
}
// AddSequences adds all k-mers from multiple sequences to a specific KmerSet
func (ksg *KmerSetGroup) AddSequences(sequences *obiseq.BioSequenceSlice, index int) {
if index < 0 || index >= len(ksg.sets) {
panic(fmt.Sprintf("Index out of bounds: %d (size: %d)", index, len(ksg.sets)))
}
ksg.sets[index].AddSequences(sequences)
}
// Union returns the union of all KmerSet in the group
// Optimization: starts from the largest set to minimize operations
func (ksg *KmerSetGroup) Union() *KmerSet {
if len(ksg.sets) == 0 {
return NewKmerSet(ksg.k)
}
if len(ksg.sets) == 1 {
return ksg.sets[0].Copy()
}
// Find the index of the largest set (the one with the most k-mers)
maxIdx := 0
maxCard := ksg.sets[0].Len()
for i := 1; i < len(ksg.sets); i++ {
card := ksg.sets[i].Len()
if card > maxCard {
maxCard = card
maxIdx = i
}
}
// Copy the largest set and perform unions in-place
result := ksg.sets[maxIdx].bitmap.Clone()
for i := 0; i < len(ksg.sets); i++ {
if i != maxIdx {
result.Or(ksg.sets[i].bitmap)
}
}
return NewKmerSetFromBitmap(ksg.k, result)
}
// Intersect returns the intersection of all KmerSet in the group
// Optimization: starts from the smallest set to minimize operations
func (ksg *KmerSetGroup) Intersect() *KmerSet {
if len(ksg.sets) == 0 {
return NewKmerSet(ksg.k)
}
if len(ksg.sets) == 1 {
return ksg.sets[0].Copy()
}
// Find the index of the smallest set (the one with the fewest k-mers)
minIdx := 0
minCard := ksg.sets[0].Len()
for i := 1; i < len(ksg.sets); i++ {
card := ksg.sets[i].Len()
if card < minCard {
minCard = card
minIdx = i
}
}
// Copy the smallest set and perform intersections in-place
result := ksg.sets[minIdx].bitmap.Clone()
for i := 0; i < len(ksg.sets); i++ {
if i != minIdx {
result.And(ksg.sets[i].bitmap)
}
}
return NewKmerSetFromBitmap(ksg.k, result)
}
// Stats returns statistics for each KmerSet in the group
type KmerSetGroupStats struct {
K int
Size int // Number of KmerSet
TotalBytes uint64 // Total memory used
Sets []KmerSetStats // Stats of each KmerSet
}
type KmerSetStats struct {
Index int // Index of the KmerSet in the group
Len uint64 // Number of k-mers
SizeBytes uint64 // Size in bytes
}
func (ksg *KmerSetGroup) Stats() KmerSetGroupStats {
stats := KmerSetGroupStats{
K: ksg.k,
Size: len(ksg.sets),
Sets: make([]KmerSetStats, len(ksg.sets)),
}
for i, ks := range ksg.sets {
sizeBytes := ks.MemoryUsage()
stats.Sets[i] = KmerSetStats{
Index: i,
Len: ks.Len(),
SizeBytes: sizeBytes,
}
stats.TotalBytes += sizeBytes
}
return stats
}
func (ksgs KmerSetGroupStats) String() string {
result := fmt.Sprintf(`KmerSetGroup Statistics (k=%d, size=%d):
Total memory: %.2f MB
Set breakdown:
`, ksgs.K, ksgs.Size, float64(ksgs.TotalBytes)/1024/1024)
for _, set := range ksgs.Sets {
result += fmt.Sprintf(" Set[%d]: %d k-mers (%.2f MB)\n",
set.Index,
set.Len,
float64(set.SizeBytes)/1024/1024)
}
return result
}
// JaccardDistanceMatrix computes a pairwise Jaccard distance matrix for all KmerSets in the group.
// Returns a triangular distance matrix where element (i, j) represents the Jaccard distance
// between set i and set j.
//
// The Jaccard distance is: 1 - (|A ∩ B| / |A B|)
//
// The matrix labels are set to the IDs of the individual KmerSets if available,
// otherwise they are set to "set_0", "set_1", etc.
//
// Time complexity: O(n² × (|A| + |B|)) where n is the number of sets
// Space complexity: O(n²) for the distance matrix
func (ksg *KmerSetGroup) JaccardDistanceMatrix() *obidist.DistMatrix {
n := len(ksg.sets)
// Create labels from set IDs
labels := make([]string, n)
for i, ks := range ksg.sets {
if ks.Id() != "" {
labels[i] = ks.Id()
} else {
labels[i] = fmt.Sprintf("set_%d", i)
}
}
dm := obidist.NewDistMatrixWithLabels(labels)
// Compute pairwise distances
for i := 0; i < n-1; i++ {
for j := i + 1; j < n; j++ {
distance := ksg.sets[i].JaccardDistance(ksg.sets[j])
dm.Set(i, j, distance)
}
}
return dm
}
// JaccardSimilarityMatrix computes a pairwise Jaccard similarity matrix for all KmerSets in the group.
// Returns a similarity matrix where element (i, j) represents the Jaccard similarity
// between set i and set j.
//
// The Jaccard similarity is: |A ∩ B| / |A B|
//
// The diagonal is 1.0 (similarity of a set to itself).
//
// The matrix labels are set to the IDs of the individual KmerSets if available,
// otherwise they are set to "set_0", "set_1", etc.
//
// Time complexity: O(n² × (|A| + |B|)) where n is the number of sets
// Space complexity: O(n²) for the similarity matrix
func (ksg *KmerSetGroup) JaccardSimilarityMatrix() *obidist.DistMatrix {
n := len(ksg.sets)
// Create labels from set IDs
labels := make([]string, n)
for i, ks := range ksg.sets {
if ks.Id() != "" {
labels[i] = ks.Id()
} else {
labels[i] = fmt.Sprintf("set_%d", i)
}
}
sm := obidist.NewSimilarityMatrixWithLabels(labels)
// Compute pairwise similarities
for i := 0; i < n-1; i++ {
for j := i + 1; j < n; j++ {
similarity := ksg.sets[i].JaccardSimilarity(ksg.sets[j])
sm.Set(i, j, similarity)
}
}
return sm
}

View File

@@ -1,231 +0,0 @@
package obikmer
import (
"math"
"testing"
)
func TestKmerSetGroupJaccardDistanceMatrix(t *testing.T) {
ksg := NewKmerSetGroup(5, 3)
// Set 0: {1, 2, 3}
ksg.Get(0).AddKmerCode(1)
ksg.Get(0).AddKmerCode(2)
ksg.Get(0).AddKmerCode(3)
ksg.Get(0).SetId("set_A")
// Set 1: {2, 3, 4}
ksg.Get(1).AddKmerCode(2)
ksg.Get(1).AddKmerCode(3)
ksg.Get(1).AddKmerCode(4)
ksg.Get(1).SetId("set_B")
// Set 2: {5, 6, 7}
ksg.Get(2).AddKmerCode(5)
ksg.Get(2).AddKmerCode(6)
ksg.Get(2).AddKmerCode(7)
ksg.Get(2).SetId("set_C")
dm := ksg.JaccardDistanceMatrix()
// Check labels
if dm.GetLabel(0) != "set_A" {
t.Errorf("Expected label 'set_A' at index 0, got '%s'", dm.GetLabel(0))
}
if dm.GetLabel(1) != "set_B" {
t.Errorf("Expected label 'set_B' at index 1, got '%s'", dm.GetLabel(1))
}
if dm.GetLabel(2) != "set_C" {
t.Errorf("Expected label 'set_C' at index 2, got '%s'", dm.GetLabel(2))
}
// Check distances
// Distance(0, 1):
// Intersection: {2, 3} -> 2 elements
// Union: {1, 2, 3, 4} -> 4 elements
// Similarity: 2/4 = 0.5
// Distance: 1 - 0.5 = 0.5
expectedDist01 := 0.5
actualDist01 := dm.Get(0, 1)
if math.Abs(actualDist01-expectedDist01) > 1e-10 {
t.Errorf("Distance(0, 1): expected %f, got %f", expectedDist01, actualDist01)
}
// Distance(0, 2):
// Intersection: {} -> 0 elements
// Union: {1, 2, 3, 5, 6, 7} -> 6 elements
// Similarity: 0/6 = 0
// Distance: 1 - 0 = 1.0
expectedDist02 := 1.0
actualDist02 := dm.Get(0, 2)
if math.Abs(actualDist02-expectedDist02) > 1e-10 {
t.Errorf("Distance(0, 2): expected %f, got %f", expectedDist02, actualDist02)
}
// Distance(1, 2):
// Intersection: {} -> 0 elements
// Union: {2, 3, 4, 5, 6, 7} -> 6 elements
// Similarity: 0/6 = 0
// Distance: 1 - 0 = 1.0
expectedDist12 := 1.0
actualDist12 := dm.Get(1, 2)
if math.Abs(actualDist12-expectedDist12) > 1e-10 {
t.Errorf("Distance(1, 2): expected %f, got %f", expectedDist12, actualDist12)
}
// Check symmetry
if dm.Get(0, 1) != dm.Get(1, 0) {
t.Errorf("Matrix not symmetric: Get(0, 1) = %f, Get(1, 0) = %f",
dm.Get(0, 1), dm.Get(1, 0))
}
// Check diagonal
if dm.Get(0, 0) != 0.0 {
t.Errorf("Diagonal should be 0, got %f", dm.Get(0, 0))
}
if dm.Get(1, 1) != 0.0 {
t.Errorf("Diagonal should be 0, got %f", dm.Get(1, 1))
}
if dm.Get(2, 2) != 0.0 {
t.Errorf("Diagonal should be 0, got %f", dm.Get(2, 2))
}
}
func TestKmerSetGroupJaccardSimilarityMatrix(t *testing.T) {
ksg := NewKmerSetGroup(5, 3)
// Set 0: {1, 2, 3}
ksg.Get(0).AddKmerCode(1)
ksg.Get(0).AddKmerCode(2)
ksg.Get(0).AddKmerCode(3)
// Set 1: {2, 3, 4}
ksg.Get(1).AddKmerCode(2)
ksg.Get(1).AddKmerCode(3)
ksg.Get(1).AddKmerCode(4)
// Set 2: {1, 2, 3} (same as set 0)
ksg.Get(2).AddKmerCode(1)
ksg.Get(2).AddKmerCode(2)
ksg.Get(2).AddKmerCode(3)
sm := ksg.JaccardSimilarityMatrix()
// Check similarities
// Similarity(0, 1): 0.5 (as calculated above)
expectedSim01 := 0.5
actualSim01 := sm.Get(0, 1)
if math.Abs(actualSim01-expectedSim01) > 1e-10 {
t.Errorf("Similarity(0, 1): expected %f, got %f", expectedSim01, actualSim01)
}
// Similarity(0, 2): 1.0 (identical sets)
expectedSim02 := 1.0
actualSim02 := sm.Get(0, 2)
if math.Abs(actualSim02-expectedSim02) > 1e-10 {
t.Errorf("Similarity(0, 2): expected %f, got %f", expectedSim02, actualSim02)
}
// Similarity(1, 2): 0.5
// Intersection: {2, 3} -> 2
// Union: {1, 2, 3, 4} -> 4
// Similarity: 2/4 = 0.5
expectedSim12 := 0.5
actualSim12 := sm.Get(1, 2)
if math.Abs(actualSim12-expectedSim12) > 1e-10 {
t.Errorf("Similarity(1, 2): expected %f, got %f", expectedSim12, actualSim12)
}
// Check diagonal (similarity to self = 1.0)
if sm.Get(0, 0) != 1.0 {
t.Errorf("Diagonal should be 1.0, got %f", sm.Get(0, 0))
}
if sm.Get(1, 1) != 1.0 {
t.Errorf("Diagonal should be 1.0, got %f", sm.Get(1, 1))
}
if sm.Get(2, 2) != 1.0 {
t.Errorf("Diagonal should be 1.0, got %f", sm.Get(2, 2))
}
}
func TestKmerSetGroupJaccardMatricesRelation(t *testing.T) {
ksg := NewKmerSetGroup(5, 4)
// Create different sets
ksg.Get(0).AddKmerCode(1)
ksg.Get(0).AddKmerCode(2)
ksg.Get(1).AddKmerCode(2)
ksg.Get(1).AddKmerCode(3)
ksg.Get(2).AddKmerCode(1)
ksg.Get(2).AddKmerCode(2)
ksg.Get(2).AddKmerCode(3)
ksg.Get(3).AddKmerCode(10)
ksg.Get(3).AddKmerCode(20)
dm := ksg.JaccardDistanceMatrix()
sm := ksg.JaccardSimilarityMatrix()
// For all pairs (including diagonal), distance + similarity should equal 1.0
for i := 0; i < 4; i++ {
for j := 0; j < 4; j++ {
distance := dm.Get(i, j)
similarity := sm.Get(i, j)
sum := distance + similarity
if math.Abs(sum-1.0) > 1e-10 {
t.Errorf("At (%d, %d): distance %f + similarity %f = %f, expected 1.0",
i, j, distance, similarity, sum)
}
}
}
}
func TestKmerSetGroupJaccardMatrixLabels(t *testing.T) {
ksg := NewKmerSetGroup(5, 3)
// Don't set IDs - should use default labels
ksg.Get(0).AddKmerCode(1)
ksg.Get(1).AddKmerCode(2)
ksg.Get(2).AddKmerCode(3)
dm := ksg.JaccardDistanceMatrix()
// Check default labels
if dm.GetLabel(0) != "set_0" {
t.Errorf("Expected default label 'set_0', got '%s'", dm.GetLabel(0))
}
if dm.GetLabel(1) != "set_1" {
t.Errorf("Expected default label 'set_1', got '%s'", dm.GetLabel(1))
}
if dm.GetLabel(2) != "set_2" {
t.Errorf("Expected default label 'set_2', got '%s'", dm.GetLabel(2))
}
}
func TestKmerSetGroupJaccardMatrixSize(t *testing.T) {
ksg := NewKmerSetGroup(5, 5)
for i := 0; i < 5; i++ {
ksg.Get(i).AddKmerCode(uint64(i))
}
dm := ksg.JaccardDistanceMatrix()
if dm.Size() != 5 {
t.Errorf("Expected matrix size 5, got %d", dm.Size())
}
// All sets are disjoint, so all distances should be 1.0
for i := 0; i < 5; i++ {
for j := i + 1; j < 5; j++ {
dist := dm.Get(i, j)
if math.Abs(dist-1.0) > 1e-10 {
t.Errorf("Expected distance 1.0 for disjoint sets (%d, %d), got %f",
i, j, dist)
}
}
}
}

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@@ -1,235 +0,0 @@
package obikmer
import (
"container/heap"
"github.com/RoaringBitmap/roaring/roaring64"
)
// heapItem represents an element in the min-heap for k-way merge
type heapItem struct {
value uint64
idx int
}
// kmerMinHeap implements heap.Interface for k-way merge algorithm
type kmerMinHeap []heapItem
func (h kmerMinHeap) Len() int { return len(h) }
func (h kmerMinHeap) Less(i, j int) bool { return h[i].value < h[j].value }
func (h kmerMinHeap) Swap(i, j int) { h[i], h[j] = h[j], h[i] }
func (h *kmerMinHeap) Push(x interface{}) {
*h = append(*h, x.(heapItem))
}
func (h *kmerMinHeap) Pop() interface{} {
old := *h
n := len(old)
x := old[n-1]
*h = old[0 : n-1]
return x
}
// QuorumAtLeast returns k-mers present in at least q sets
//
// Algorithm: K-way merge with min-heap counting
//
// The algorithm processes all k-mers in sorted order using a min-heap:
//
// 1. Initialize one iterator per non-empty set
// 2. Build a min-heap of (value, set_index) pairs, one per iterator
// 3. While heap is not empty:
// a. Extract the minimum value v from heap
// b. Pop ALL heap items with value == v (counting occurrences)
// c. If count >= q, add v to result
// d. Advance each popped iterator and re-insert into heap if valid
//
// This ensures each unique k-mer is counted exactly once across all sets.
//
// Time complexity: O(M log N)
// - M = sum of all set cardinalities (total k-mer occurrences)
// - N = number of sets
// - Each k-mer occurrence is inserted/extracted from heap once: O(M) operations
// - Each heap operation costs O(log N)
//
// Space complexity: O(N)
// - Heap contains at most N elements (one per set iterator)
// - Output bitmap size depends on quorum result
//
// Special cases (optimized):
// - q <= 0: returns empty set
// - q == 1: delegates to Union() (native OR operations)
// - q == n: delegates to Intersect() (native AND operations)
// - q > n: returns empty set (impossible to satisfy)
func (ksg *KmerSetGroup) QuorumAtLeast(q int) *KmerSet {
n := len(ksg.sets)
// Edge cases
if q <= 0 || n == 0 {
return NewKmerSet(ksg.k)
}
if q > n {
return NewKmerSet(ksg.k)
}
if q == 1 {
return ksg.Union()
}
if q == n {
return ksg.Intersect()
}
// Initialize iterators for all non-empty sets
iterators := make([]roaring64.IntIterable64, 0, n)
iterIndices := make([]int, 0, n)
for i, set := range ksg.sets {
if set.Len() > 0 {
iter := set.bitmap.Iterator()
if iter.HasNext() {
iterators = append(iterators, iter)
iterIndices = append(iterIndices, i)
}
}
}
if len(iterators) == 0 {
return NewKmerSet(ksg.k)
}
// Initialize heap with first value from each iterator
h := make(kmerMinHeap, len(iterators))
for i, iter := range iterators {
h[i] = heapItem{value: iter.Next(), idx: i}
}
heap.Init(&h)
// Result bitmap
result := roaring64.New()
// K-way merge with counting
for len(h) > 0 {
minVal := h[0].value
count := 0
activeIndices := make([]int, 0, len(h))
// Pop all elements with same value (count occurrences)
for len(h) > 0 && h[0].value == minVal {
item := heap.Pop(&h).(heapItem)
count++
activeIndices = append(activeIndices, item.idx)
}
// Add to result if quorum reached
if count >= q {
result.Add(minVal)
}
// Advance iterators and re-insert into heap
for _, iterIdx := range activeIndices {
if iterators[iterIdx].HasNext() {
heap.Push(&h, heapItem{
value: iterators[iterIdx].Next(),
idx: iterIdx,
})
}
}
}
return NewKmerSetFromBitmap(ksg.k, result)
}
// QuorumAtMost returns k-mers present in at most q sets
//
// Algorithm: Uses the mathematical identity
// AtMost(q) = Union() - AtLeast(q+1)
//
// Proof:
// - Union() contains all k-mers present in at least 1 set
// - AtLeast(q+1) contains all k-mers present in q+1 or more sets
// - Their difference contains only k-mers present in at most q sets
//
// Implementation:
// 1. Compute U = Union()
// 2. Compute A = QuorumAtLeast(q+1)
// 3. Return U - A using bitmap AndNot operation
//
// Time complexity: O(M log N)
// - Union(): O(M) with native OR operations
// - QuorumAtLeast(q+1): O(M log N)
// - AndNot: O(|U|) where |U| <= M
// - Total: O(M log N)
//
// Space complexity: O(N)
// - Inherited from QuorumAtLeast heap
//
// Special cases:
// - q <= 0: returns empty set
// - q >= n: returns Union() (all k-mers are in at most n sets)
func (ksg *KmerSetGroup) QuorumAtMost(q int) *KmerSet {
n := len(ksg.sets)
// Edge cases
if q <= 0 {
return NewKmerSet(ksg.k)
}
if q >= n {
return ksg.Union()
}
// Compute Union() - AtLeast(q+1)
union := ksg.Union()
atLeastQ1 := ksg.QuorumAtLeast(q + 1)
// Difference: elements in union but not in atLeastQ1
result := union.bitmap.Clone()
result.AndNot(atLeastQ1.bitmap)
return NewKmerSetFromBitmap(ksg.k, result)
}
// QuorumExactly returns k-mers present in exactly q sets
//
// Algorithm: Uses the mathematical identity
// Exactly(q) = AtLeast(q) - AtLeast(q+1)
//
// Proof:
// - AtLeast(q) contains all k-mers present in q or more sets
// - AtLeast(q+1) contains all k-mers present in q+1 or more sets
// - Their difference contains only k-mers present in exactly q sets
//
// Implementation:
// 1. Compute A = QuorumAtLeast(q)
// 2. Compute B = QuorumAtLeast(q+1)
// 3. Return A - B using bitmap AndNot operation
//
// Time complexity: O(M log N)
// - Two calls to QuorumAtLeast: 2 * O(M log N)
// - One AndNot operation: O(|A|) where |A| <= M
// - Total: O(M log N) since AndNot is dominated by merge operations
//
// Space complexity: O(N)
// - Inherited from QuorumAtLeast heap
// - Two temporary bitmaps for intermediate results
//
// Special cases:
// - q <= 0: returns empty set
// - q > n: returns empty set (impossible to have k-mer in more than n sets)
func (ksg *KmerSetGroup) QuorumExactly(q int) *KmerSet {
n := len(ksg.sets)
// Edge cases
if q <= 0 || q > n {
return NewKmerSet(ksg.k)
}
// Compute AtLeast(q) - AtLeast(q+1)
aq := ksg.QuorumAtLeast(q)
aq1 := ksg.QuorumAtLeast(q + 1)
// Difference: elements in aq but not in aq1
result := aq.bitmap.Clone()
result.AndNot(aq1.bitmap)
return NewKmerSetFromBitmap(ksg.k, result)
}

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@@ -1,395 +0,0 @@
package obikmer
import (
"testing"
)
// TestQuorumAtLeastEdgeCases tests edge cases for QuorumAtLeast
func TestQuorumAtLeastEdgeCases(t *testing.T) {
k := 5
// Test group with all empty sets
emptyGroup := NewKmerSetGroup(k, 3)
result := emptyGroup.QuorumAtLeast(1)
if result.Len() != 0 {
t.Errorf("Empty sets: expected 0 k-mers, got %d", result.Len())
}
// Test q <= 0
group := NewKmerSetGroup(k, 3)
result = group.QuorumAtLeast(0)
if result.Len() != 0 {
t.Errorf("q=0: expected 0 k-mers, got %d", result.Len())
}
result = group.QuorumAtLeast(-1)
if result.Len() != 0 {
t.Errorf("q=-1: expected 0 k-mers, got %d", result.Len())
}
// Test q > n
group.Get(0).AddKmerCode(1)
result = group.QuorumAtLeast(10)
if result.Len() != 0 {
t.Errorf("q>n: expected 0 k-mers, got %d", result.Len())
}
}
// TestQuorumAtLeastQ1 tests q=1 (should equal Union)
func TestQuorumAtLeastQ1(t *testing.T) {
k := 5
group := NewKmerSetGroup(k, 3)
// Add different k-mers to each set
group.Get(0).AddKmerCode(1)
group.Get(0).AddKmerCode(2)
group.Get(1).AddKmerCode(2)
group.Get(1).AddKmerCode(3)
group.Get(2).AddKmerCode(3)
group.Get(2).AddKmerCode(4)
quorum := group.QuorumAtLeast(1)
union := group.Union()
if quorum.Len() != union.Len() {
t.Errorf("QuorumAtLeast(1) length %d != Union length %d", quorum.Len(), union.Len())
}
// Check all elements match
for kmer := uint64(1); kmer <= 4; kmer++ {
if quorum.Contains(kmer) != union.Contains(kmer) {
t.Errorf("Mismatch for k-mer %d", kmer)
}
}
}
// TestQuorumAtLeastQN tests q=n (should equal Intersect)
func TestQuorumAtLeastQN(t *testing.T) {
k := 5
group := NewKmerSetGroup(k, 3)
// Add some common k-mers and some unique
for i := 0; i < 3; i++ {
group.Get(i).AddKmerCode(10) // common to all
group.Get(i).AddKmerCode(20) // common to all
}
group.Get(0).AddKmerCode(1) // unique to set 0
group.Get(1).AddKmerCode(2) // unique to set 1
quorum := group.QuorumAtLeast(3)
intersect := group.Intersect()
if quorum.Len() != intersect.Len() {
t.Errorf("QuorumAtLeast(n) length %d != Intersect length %d", quorum.Len(), intersect.Len())
}
if quorum.Len() != 2 {
t.Errorf("Expected 2 common k-mers, got %d", quorum.Len())
}
if !quorum.Contains(10) || !quorum.Contains(20) {
t.Error("Missing common k-mers")
}
if quorum.Contains(1) || quorum.Contains(2) {
t.Error("Unique k-mers should not be in result")
}
}
// TestQuorumAtLeastGeneral tests general quorum values
func TestQuorumAtLeastGeneral(t *testing.T) {
k := 5
group := NewKmerSetGroup(k, 5)
// Setup: k-mer i appears in i sets (for i=1..5)
// k-mer 1: in set 0
// k-mer 2: in sets 0,1
// k-mer 3: in sets 0,1,2
// k-mer 4: in sets 0,1,2,3
// k-mer 5: in sets 0,1,2,3,4 (all)
for kmer := uint64(1); kmer <= 5; kmer++ {
for setIdx := 0; setIdx < int(kmer); setIdx++ {
group.Get(setIdx).AddKmerCode(kmer)
}
}
tests := []struct {
q int
expected map[uint64]bool
}{
{1, map[uint64]bool{1: true, 2: true, 3: true, 4: true, 5: true}},
{2, map[uint64]bool{2: true, 3: true, 4: true, 5: true}},
{3, map[uint64]bool{3: true, 4: true, 5: true}},
{4, map[uint64]bool{4: true, 5: true}},
{5, map[uint64]bool{5: true}},
}
for _, tt := range tests {
result := group.QuorumAtLeast(tt.q)
if result.Len() != uint64(len(tt.expected)) {
t.Errorf("q=%d: expected %d k-mers, got %d", tt.q, len(tt.expected), result.Len())
}
for kmer := uint64(1); kmer <= 5; kmer++ {
shouldContain := tt.expected[kmer]
doesContain := result.Contains(kmer)
if shouldContain != doesContain {
t.Errorf("q=%d, k-mer=%d: expected contains=%v, got %v", tt.q, kmer, shouldContain, doesContain)
}
}
}
}
// TestQuorumExactlyBasic tests QuorumExactly basic functionality
func TestQuorumExactlyBasic(t *testing.T) {
k := 5
group := NewKmerSetGroup(k, 5)
// Setup: k-mer i appears in exactly i sets
for kmer := uint64(1); kmer <= 5; kmer++ {
for setIdx := 0; setIdx < int(kmer); setIdx++ {
group.Get(setIdx).AddKmerCode(kmer)
}
}
tests := []struct {
q int
expected []uint64
}{
{1, []uint64{1}},
{2, []uint64{2}},
{3, []uint64{3}},
{4, []uint64{4}},
{5, []uint64{5}},
}
for _, tt := range tests {
result := group.QuorumExactly(tt.q)
if result.Len() != uint64(len(tt.expected)) {
t.Errorf("q=%d: expected %d k-mers, got %d", tt.q, len(tt.expected), result.Len())
}
for _, kmer := range tt.expected {
if !result.Contains(kmer) {
t.Errorf("q=%d: missing k-mer %d", tt.q, kmer)
}
}
}
}
// TestQuorumIdentity tests the mathematical identity: Exactly(q) = AtLeast(q) - AtLeast(q+1)
func TestQuorumIdentity(t *testing.T) {
k := 5
group := NewKmerSetGroup(k, 4)
// Add random distribution
group.Get(0).AddKmerCode(1)
group.Get(0).AddKmerCode(2)
group.Get(0).AddKmerCode(3)
group.Get(1).AddKmerCode(2)
group.Get(1).AddKmerCode(3)
group.Get(1).AddKmerCode(4)
group.Get(2).AddKmerCode(3)
group.Get(2).AddKmerCode(4)
group.Get(3).AddKmerCode(4)
for q := 1; q <= 4; q++ {
exactly := group.QuorumExactly(q)
atLeast := group.QuorumAtLeast(q)
atLeastPlus1 := group.QuorumAtLeast(q + 1)
// Verify: every element in exactly(q) is in atLeast(q)
iter := exactly.Iterator()
for iter.HasNext() {
kmer := iter.Next()
if !atLeast.Contains(kmer) {
t.Errorf("q=%d: k-mer %d in Exactly but not in AtLeast", q, kmer)
}
if atLeastPlus1.Contains(kmer) {
t.Errorf("q=%d: k-mer %d in Exactly but also in AtLeast(q+1)", q, kmer)
}
}
}
}
// TestQuorumDisjointSets tests quorum on completely disjoint sets
func TestQuorumDisjointSets(t *testing.T) {
k := 5
group := NewKmerSetGroup(k, 3)
// Each set has unique k-mers
group.Get(0).AddKmerCode(1)
group.Get(1).AddKmerCode(2)
group.Get(2).AddKmerCode(3)
// q=1 should give all
result := group.QuorumAtLeast(1)
if result.Len() != 3 {
t.Errorf("Disjoint sets q=1: expected 3, got %d", result.Len())
}
// q=2 should give none
result = group.QuorumAtLeast(2)
if result.Len() != 0 {
t.Errorf("Disjoint sets q=2: expected 0, got %d", result.Len())
}
}
// TestQuorumIdenticalSets tests quorum on identical sets
func TestQuorumIdenticalSets(t *testing.T) {
k := 5
group := NewKmerSetGroup(k, 3)
// All sets have same k-mers
for i := 0; i < 3; i++ {
group.Get(i).AddKmerCode(10)
group.Get(i).AddKmerCode(20)
group.Get(i).AddKmerCode(30)
}
// Any q <= n should give all k-mers
for q := 1; q <= 3; q++ {
result := group.QuorumAtLeast(q)
if result.Len() != 3 {
t.Errorf("Identical sets q=%d: expected 3, got %d", q, result.Len())
}
}
}
// TestQuorumLargeNumbers tests with large k-mer values
func TestQuorumLargeNumbers(t *testing.T) {
k := 21
group := NewKmerSetGroup(k, 3)
// Use large uint64 values (actual k-mer encodings)
largeKmers := []uint64{
0x1234567890ABCDEF,
0xFEDCBA0987654321,
0xAAAAAAAAAAAAAAAA,
}
// Add to multiple sets
for i := 0; i < 3; i++ {
for j := 0; j <= i; j++ {
group.Get(j).AddKmerCode(largeKmers[i])
}
}
result := group.QuorumAtLeast(2)
if result.Len() != 2 {
t.Errorf("Large numbers q=2: expected 2, got %d", result.Len())
}
if !result.Contains(largeKmers[1]) || !result.Contains(largeKmers[2]) {
t.Error("Large numbers: wrong k-mers in result")
}
}
// TestQuorumAtMostBasic tests QuorumAtMost basic functionality
func TestQuorumAtMostBasic(t *testing.T) {
k := 5
group := NewKmerSetGroup(k, 5)
// Setup: k-mer i appears in exactly i sets
for kmer := uint64(1); kmer <= 5; kmer++ {
for setIdx := 0; setIdx < int(kmer); setIdx++ {
group.Get(setIdx).AddKmerCode(kmer)
}
}
tests := []struct {
q int
expected []uint64
}{
{0, []uint64{}}, // at most 0: none
{1, []uint64{1}}, // at most 1: only k-mer 1
{2, []uint64{1, 2}}, // at most 2: k-mers 1,2
{3, []uint64{1, 2, 3}}, // at most 3: k-mers 1,2,3
{4, []uint64{1, 2, 3, 4}}, // at most 4: k-mers 1,2,3,4
{5, []uint64{1, 2, 3, 4, 5}}, // at most 5: all k-mers
{10, []uint64{1, 2, 3, 4, 5}}, // at most 10: all k-mers
}
for _, tt := range tests {
result := group.QuorumAtMost(tt.q)
if result.Len() != uint64(len(tt.expected)) {
t.Errorf("q=%d: expected %d k-mers, got %d", tt.q, len(tt.expected), result.Len())
}
for _, kmer := range tt.expected {
if !result.Contains(kmer) {
t.Errorf("q=%d: missing k-mer %d", tt.q, kmer)
}
}
}
}
// TestQuorumComplementIdentity tests that AtLeast and AtMost are complementary
func TestQuorumComplementIdentity(t *testing.T) {
k := 5
group := NewKmerSetGroup(k, 4)
// Add random distribution
group.Get(0).AddKmerCode(1)
group.Get(0).AddKmerCode(2)
group.Get(0).AddKmerCode(3)
group.Get(1).AddKmerCode(2)
group.Get(1).AddKmerCode(3)
group.Get(1).AddKmerCode(4)
group.Get(2).AddKmerCode(3)
group.Get(2).AddKmerCode(4)
group.Get(3).AddKmerCode(4)
union := group.Union()
for q := 1; q < 4; q++ {
atMost := group.QuorumAtMost(q)
atLeast := group.QuorumAtLeast(q + 1)
// Verify: AtMost(q) AtLeast(q+1) = Union()
combined := atMost.Union(atLeast)
if combined.Len() != union.Len() {
t.Errorf("q=%d: AtMost(q) AtLeast(q+1) has %d k-mers, Union has %d",
q, combined.Len(), union.Len())
}
// Verify: AtMost(q) ∩ AtLeast(q+1) = ∅
overlap := atMost.Intersect(atLeast)
if overlap.Len() != 0 {
t.Errorf("q=%d: AtMost(q) and AtLeast(q+1) overlap with %d k-mers",
q, overlap.Len())
}
}
}
// BenchmarkQuorumAtLeast benchmarks quorum operations
func BenchmarkQuorumAtLeast(b *testing.B) {
k := 21
n := 10
group := NewKmerSetGroup(k, n)
// Populate with realistic data
for i := 0; i < n; i++ {
for j := uint64(0); j < 10000; j++ {
if (j % uint64(n)) <= uint64(i) {
group.Get(i).AddKmerCode(j)
}
}
}
b.ResetTimer()
for i := 0; i < b.N; i++ {
_ = group.QuorumAtLeast(5)
}
}

View File

@@ -1,376 +0,0 @@
package obikmer
import (
"encoding/json"
"fmt"
"os"
"path/filepath"
"strings"
"github.com/pelletier/go-toml/v2"
"gopkg.in/yaml.v3"
)
// MetadataFormat represents the metadata serialization format
type MetadataFormat int
const (
FormatTOML MetadataFormat = iota
FormatYAML
FormatJSON
)
// String returns the file extension for the format
func (f MetadataFormat) String() string {
switch f {
case FormatTOML:
return "toml"
case FormatYAML:
return "yaml"
case FormatJSON:
return "json"
default:
return "toml"
}
}
// KmerSetMetadata contient les métadonnées d'un KmerSet ou KmerSetGroup
type KmerSetMetadata struct {
ID string `toml:"id,omitempty" yaml:"id,omitempty" json:"id,omitempty"` // Identifiant unique
K int `toml:"k" yaml:"k" json:"k"` // Taille des k-mers
Type string `toml:"type" yaml:"type" json:"type"` // "KmerSet" ou "KmerSetGroup"
Size int `toml:"size" yaml:"size" json:"size"` // 1 pour KmerSet, n pour KmerSetGroup
Files []string `toml:"files" yaml:"files" json:"files"` // Liste des fichiers .roaring
SetsIDs []string `toml:"sets_ids,omitempty" yaml:"sets_ids,omitempty" json:"sets_ids,omitempty"` // IDs des KmerSet individuels
UserMetadata map[string]interface{} `toml:"user_metadata,omitempty" yaml:"user_metadata,omitempty" json:"user_metadata,omitempty"` // Métadonnées KmerSet ou KmerSetGroup
SetsMetadata []map[string]interface{} `toml:"sets_metadata,omitempty" yaml:"sets_metadata,omitempty" json:"sets_metadata,omitempty"` // Métadonnées des KmerSet individuels dans un KmerSetGroup
}
// SaveKmerSet sauvegarde un KmerSet dans un répertoire
// Format: directory/metadata.{toml,yaml,json} + directory/set_0.roaring
func (ks *KmerSet) Save(directory string, format MetadataFormat) error {
// Créer le répertoire si nécessaire
if err := os.MkdirAll(directory, 0755); err != nil {
return fmt.Errorf("failed to create directory %s: %w", directory, err)
}
// Métadonnées
metadata := KmerSetMetadata{
ID: ks.id,
K: ks.k,
Type: "KmerSet",
Size: 1,
Files: []string{"set_0.roaring"},
UserMetadata: ks.Metadata, // Sauvegarder les métadonnées utilisateur
}
// Sauvegarder les métadonnées
if err := saveMetadata(filepath.Join(directory, "metadata."+format.String()), metadata, format); err != nil {
return err
}
// Sauvegarder le bitmap
bitmapPath := filepath.Join(directory, "set_0.roaring")
file, err := os.Create(bitmapPath)
if err != nil {
return fmt.Errorf("failed to create bitmap file %s: %w", bitmapPath, err)
}
defer file.Close()
if _, err := ks.bitmap.WriteTo(file); err != nil {
return fmt.Errorf("failed to write bitmap: %w", err)
}
return nil
}
// LoadKmerSet charge un KmerSet depuis un répertoire
func LoadKmerSet(directory string) (*KmerSet, error) {
// Lire les métadonnées (essayer tous les formats)
metadata, err := loadMetadata(directory)
if err != nil {
return nil, err
}
// Vérifier le type
if metadata.Type != "KmerSet" {
return nil, fmt.Errorf("invalid type: expected KmerSet, got %s", metadata.Type)
}
// Vérifier qu'il n'y a qu'un seul fichier
if metadata.Size != 1 || len(metadata.Files) != 1 {
return nil, fmt.Errorf("KmerSet must have exactly 1 bitmap file, got %d", len(metadata.Files))
}
// Charger le bitmap
bitmapPath := filepath.Join(directory, metadata.Files[0])
file, err := os.Open(bitmapPath)
if err != nil {
return nil, fmt.Errorf("failed to open bitmap file %s: %w", bitmapPath, err)
}
defer file.Close()
ks := NewKmerSet(metadata.K)
// Charger l'ID
ks.id = metadata.ID
// Charger les métadonnées utilisateur
if metadata.UserMetadata != nil {
ks.Metadata = metadata.UserMetadata
}
if _, err := ks.bitmap.ReadFrom(file); err != nil {
return nil, fmt.Errorf("failed to read bitmap: %w", err)
}
return ks, nil
}
// SaveKmerSetGroup sauvegarde un KmerSetGroup dans un répertoire
// Format: directory/metadata.{toml,yaml,json} + directory/set_0.roaring, set_1.roaring, ...
func (ksg *KmerSetGroup) Save(directory string, format MetadataFormat) error {
// Créer le répertoire si nécessaire
if err := os.MkdirAll(directory, 0755); err != nil {
return fmt.Errorf("failed to create directory %s: %w", directory, err)
}
// Métadonnées
files := make([]string, len(ksg.sets))
for i := range ksg.sets {
files[i] = fmt.Sprintf("set_%d.roaring", i)
}
// Collecter les IDs et métadonnées de chaque KmerSet individuel
setsIDs := make([]string, len(ksg.sets))
setsMetadata := make([]map[string]interface{}, len(ksg.sets))
for i, ks := range ksg.sets {
setsIDs[i] = ks.id
setsMetadata[i] = ks.Metadata
}
metadata := KmerSetMetadata{
ID: ksg.id,
K: ksg.k,
Type: "KmerSetGroup",
Size: len(ksg.sets),
Files: files,
SetsIDs: setsIDs, // IDs de chaque set
UserMetadata: ksg.Metadata, // Métadonnées du groupe
SetsMetadata: setsMetadata, // Métadonnées de chaque set
}
// Sauvegarder les métadonnées
if err := saveMetadata(filepath.Join(directory, "metadata."+format.String()), metadata, format); err != nil {
return err
}
// Sauvegarder chaque bitmap
for i, ks := range ksg.sets {
bitmapPath := filepath.Join(directory, files[i])
file, err := os.Create(bitmapPath)
if err != nil {
return fmt.Errorf("failed to create bitmap file %s: %w", bitmapPath, err)
}
if _, err := ks.bitmap.WriteTo(file); err != nil {
file.Close()
return fmt.Errorf("failed to write bitmap %d: %w", i, err)
}
file.Close()
}
return nil
}
// LoadKmerSetGroup charge un KmerSetGroup depuis un répertoire
func LoadKmerSetGroup(directory string) (*KmerSetGroup, error) {
// Lire les métadonnées (essayer tous les formats)
metadata, err := loadMetadata(directory)
if err != nil {
return nil, err
}
// Vérifier le type
if metadata.Type != "KmerSetGroup" {
return nil, fmt.Errorf("invalid type: expected KmerSetGroup, got %s", metadata.Type)
}
// Vérifier la cohérence
if metadata.Size != len(metadata.Files) {
return nil, fmt.Errorf("size mismatch: size=%d but %d files listed", metadata.Size, len(metadata.Files))
}
// Créer le groupe
ksg := NewKmerSetGroup(metadata.K, metadata.Size)
// Charger l'ID du groupe
ksg.id = metadata.ID
// Charger les métadonnées du groupe
if metadata.UserMetadata != nil {
ksg.Metadata = metadata.UserMetadata
}
// Charger les IDs de chaque KmerSet
if metadata.SetsIDs != nil && len(metadata.SetsIDs) == metadata.Size {
for i := range ksg.sets {
ksg.sets[i].id = metadata.SetsIDs[i]
}
}
// Charger les métadonnées de chaque KmerSet individuel
if metadata.SetsMetadata != nil {
if len(metadata.SetsMetadata) != metadata.Size {
return nil, fmt.Errorf("sets metadata size mismatch: expected %d, got %d", metadata.Size, len(metadata.SetsMetadata))
}
for i := range ksg.sets {
ksg.sets[i].Metadata = metadata.SetsMetadata[i]
}
}
// Charger chaque bitmap
for i, filename := range metadata.Files {
bitmapPath := filepath.Join(directory, filename)
file, err := os.Open(bitmapPath)
if err != nil {
return nil, fmt.Errorf("failed to open bitmap file %s: %w", bitmapPath, err)
}
if _, err := ksg.sets[i].bitmap.ReadFrom(file); err != nil {
file.Close()
return nil, fmt.Errorf("failed to read bitmap %d: %w", i, err)
}
file.Close()
}
return ksg, nil
}
// saveMetadata sauvegarde les métadonnées dans le format spécifié
func saveMetadata(path string, metadata KmerSetMetadata, format MetadataFormat) error {
file, err := os.Create(path)
if err != nil {
return fmt.Errorf("failed to create metadata file %s: %w", path, err)
}
defer file.Close()
var encoder interface{ Encode(interface{}) error }
switch format {
case FormatTOML:
encoder = toml.NewEncoder(file)
case FormatYAML:
encoder = yaml.NewEncoder(file)
case FormatJSON:
jsonEncoder := json.NewEncoder(file)
jsonEncoder.SetIndent("", " ")
encoder = jsonEncoder
default:
return fmt.Errorf("unsupported format: %v", format)
}
if err := encoder.Encode(metadata); err != nil {
return fmt.Errorf("failed to encode metadata: %w", err)
}
return nil
}
// loadMetadata charge les métadonnées depuis un répertoire
// Essaie tous les formats (TOML, YAML, JSON) dans l'ordre
func loadMetadata(directory string) (*KmerSetMetadata, error) {
formats := []MetadataFormat{FormatTOML, FormatYAML, FormatJSON}
var lastErr error
for _, format := range formats {
path := filepath.Join(directory, "metadata."+format.String())
// Vérifier si le fichier existe
if _, err := os.Stat(path); os.IsNotExist(err) {
continue
}
metadata, err := loadMetadataFromFile(path, format)
if err != nil {
lastErr = err
continue
}
return metadata, nil
}
if lastErr != nil {
return nil, fmt.Errorf("failed to load metadata: %w", lastErr)
}
return nil, fmt.Errorf("no metadata file found in %s (tried .toml, .yaml, .json)", directory)
}
// loadMetadataFromFile charge les métadonnées depuis un fichier spécifique
func loadMetadataFromFile(path string, format MetadataFormat) (*KmerSetMetadata, error) {
file, err := os.Open(path)
if err != nil {
return nil, fmt.Errorf("failed to open metadata file %s: %w", path, err)
}
defer file.Close()
var metadata KmerSetMetadata
var decoder interface{ Decode(interface{}) error }
switch format {
case FormatTOML:
decoder = toml.NewDecoder(file)
case FormatYAML:
decoder = yaml.NewDecoder(file)
case FormatJSON:
decoder = json.NewDecoder(file)
default:
return nil, fmt.Errorf("unsupported format: %v", format)
}
if err := decoder.Decode(&metadata); err != nil {
return nil, fmt.Errorf("failed to decode metadata: %w", err)
}
return &metadata, nil
}
// DetectFormat détecte le format des métadonnées dans un répertoire
func DetectFormat(directory string) (MetadataFormat, error) {
formats := []MetadataFormat{FormatTOML, FormatYAML, FormatJSON}
for _, format := range formats {
path := filepath.Join(directory, "metadata."+format.String())
if _, err := os.Stat(path); err == nil {
return format, nil
}
}
return FormatTOML, fmt.Errorf("no metadata file found in %s", directory)
}
// IsKmerSetDirectory vérifie si un répertoire contient un KmerSet ou KmerSetGroup
func IsKmerSetDirectory(directory string) (bool, string, error) {
metadata, err := loadMetadata(directory)
if err != nil {
return false, "", err
}
return true, metadata.Type, nil
}
// ListBitmapFiles liste tous les fichiers .roaring dans un répertoire
func ListBitmapFiles(directory string) ([]string, error) {
entries, err := os.ReadDir(directory)
if err != nil {
return nil, fmt.Errorf("failed to read directory %s: %w", directory, err)
}
var files []string
for _, entry := range entries {
if !entry.IsDir() && strings.HasSuffix(entry.Name(), ".roaring") {
files = append(files, entry.Name())
}
}
return files, nil
}

View File

@@ -1,272 +0,0 @@
package obikmer
import (
"math"
"testing"
)
func TestJaccardDistanceIdentical(t *testing.T) {
ks1 := NewKmerSet(5)
ks1.AddKmerCode(100)
ks1.AddKmerCode(200)
ks1.AddKmerCode(300)
ks2 := NewKmerSet(5)
ks2.AddKmerCode(100)
ks2.AddKmerCode(200)
ks2.AddKmerCode(300)
distance := ks1.JaccardDistance(ks2)
similarity := ks1.JaccardSimilarity(ks2)
if distance != 0.0 {
t.Errorf("Expected distance 0.0 for identical sets, got %f", distance)
}
if similarity != 1.0 {
t.Errorf("Expected similarity 1.0 for identical sets, got %f", similarity)
}
}
func TestJaccardDistanceDisjoint(t *testing.T) {
ks1 := NewKmerSet(5)
ks1.AddKmerCode(100)
ks1.AddKmerCode(200)
ks1.AddKmerCode(300)
ks2 := NewKmerSet(5)
ks2.AddKmerCode(400)
ks2.AddKmerCode(500)
ks2.AddKmerCode(600)
distance := ks1.JaccardDistance(ks2)
similarity := ks1.JaccardSimilarity(ks2)
if distance != 1.0 {
t.Errorf("Expected distance 1.0 for disjoint sets, got %f", distance)
}
if similarity != 0.0 {
t.Errorf("Expected similarity 0.0 for disjoint sets, got %f", similarity)
}
}
func TestJaccardDistancePartialOverlap(t *testing.T) {
// Set 1: {1, 2, 3}
ks1 := NewKmerSet(5)
ks1.AddKmerCode(1)
ks1.AddKmerCode(2)
ks1.AddKmerCode(3)
// Set 2: {2, 3, 4}
ks2 := NewKmerSet(5)
ks2.AddKmerCode(2)
ks2.AddKmerCode(3)
ks2.AddKmerCode(4)
// Intersection: {2, 3} -> cardinality = 2
// Union: {1, 2, 3, 4} -> cardinality = 4
// Similarity = 2/4 = 0.5
// Distance = 1 - 0.5 = 0.5
distance := ks1.JaccardDistance(ks2)
similarity := ks1.JaccardSimilarity(ks2)
expectedDistance := 0.5
expectedSimilarity := 0.5
if math.Abs(distance-expectedDistance) > 1e-10 {
t.Errorf("Expected distance %f, got %f", expectedDistance, distance)
}
if math.Abs(similarity-expectedSimilarity) > 1e-10 {
t.Errorf("Expected similarity %f, got %f", expectedSimilarity, similarity)
}
}
func TestJaccardDistanceOneSubsetOfOther(t *testing.T) {
// Set 1: {1, 2}
ks1 := NewKmerSet(5)
ks1.AddKmerCode(1)
ks1.AddKmerCode(2)
// Set 2: {1, 2, 3, 4}
ks2 := NewKmerSet(5)
ks2.AddKmerCode(1)
ks2.AddKmerCode(2)
ks2.AddKmerCode(3)
ks2.AddKmerCode(4)
// Intersection: {1, 2} -> cardinality = 2
// Union: {1, 2, 3, 4} -> cardinality = 4
// Similarity = 2/4 = 0.5
// Distance = 1 - 0.5 = 0.5
distance := ks1.JaccardDistance(ks2)
similarity := ks1.JaccardSimilarity(ks2)
expectedDistance := 0.5
expectedSimilarity := 0.5
if math.Abs(distance-expectedDistance) > 1e-10 {
t.Errorf("Expected distance %f, got %f", expectedDistance, distance)
}
if math.Abs(similarity-expectedSimilarity) > 1e-10 {
t.Errorf("Expected similarity %f, got %f", expectedSimilarity, similarity)
}
}
func TestJaccardDistanceEmptySets(t *testing.T) {
ks1 := NewKmerSet(5)
ks2 := NewKmerSet(5)
distance := ks1.JaccardDistance(ks2)
similarity := ks1.JaccardSimilarity(ks2)
// By convention, distance = 1.0 for empty sets
if distance != 1.0 {
t.Errorf("Expected distance 1.0 for empty sets, got %f", distance)
}
if similarity != 0.0 {
t.Errorf("Expected similarity 0.0 for empty sets, got %f", similarity)
}
}
func TestJaccardDistanceOneEmpty(t *testing.T) {
ks1 := NewKmerSet(5)
ks1.AddKmerCode(1)
ks1.AddKmerCode(2)
ks1.AddKmerCode(3)
ks2 := NewKmerSet(5)
distance := ks1.JaccardDistance(ks2)
similarity := ks1.JaccardSimilarity(ks2)
// Intersection: {} -> cardinality = 0
// Union: {1, 2, 3} -> cardinality = 3
// Similarity = 0/3 = 0.0
// Distance = 1.0
if distance != 1.0 {
t.Errorf("Expected distance 1.0 when one set is empty, got %f", distance)
}
if similarity != 0.0 {
t.Errorf("Expected similarity 0.0 when one set is empty, got %f", similarity)
}
}
func TestJaccardDistanceDifferentK(t *testing.T) {
ks1 := NewKmerSet(5)
ks1.AddKmerCode(1)
ks2 := NewKmerSet(7)
ks2.AddKmerCode(1)
defer func() {
if r := recover(); r == nil {
t.Errorf("Expected panic when computing Jaccard distance with different k values")
}
}()
_ = ks1.JaccardDistance(ks2)
}
func TestJaccardDistanceSimilarityRelation(t *testing.T) {
// Test that distance + similarity = 1.0 for all cases
testCases := []struct {
name string
ks1 *KmerSet
ks2 *KmerSet
}{
{
name: "partial overlap",
ks1: func() *KmerSet {
ks := NewKmerSet(5)
ks.AddKmerCode(1)
ks.AddKmerCode(2)
ks.AddKmerCode(3)
return ks
}(),
ks2: func() *KmerSet {
ks := NewKmerSet(5)
ks.AddKmerCode(2)
ks.AddKmerCode(3)
ks.AddKmerCode(4)
ks.AddKmerCode(5)
return ks
}(),
},
{
name: "identical",
ks1: func() *KmerSet {
ks := NewKmerSet(5)
ks.AddKmerCode(10)
ks.AddKmerCode(20)
return ks
}(),
ks2: func() *KmerSet {
ks := NewKmerSet(5)
ks.AddKmerCode(10)
ks.AddKmerCode(20)
return ks
}(),
},
{
name: "disjoint",
ks1: func() *KmerSet {
ks := NewKmerSet(5)
ks.AddKmerCode(1)
return ks
}(),
ks2: func() *KmerSet {
ks := NewKmerSet(5)
ks.AddKmerCode(100)
return ks
}(),
},
}
for _, tc := range testCases {
t.Run(tc.name, func(t *testing.T) {
distance := tc.ks1.JaccardDistance(tc.ks2)
similarity := tc.ks1.JaccardSimilarity(tc.ks2)
sum := distance + similarity
if math.Abs(sum-1.0) > 1e-10 {
t.Errorf("Expected distance + similarity = 1.0, got %f + %f = %f",
distance, similarity, sum)
}
})
}
}
func TestJaccardDistanceSymmetry(t *testing.T) {
ks1 := NewKmerSet(5)
ks1.AddKmerCode(1)
ks1.AddKmerCode(2)
ks1.AddKmerCode(3)
ks2 := NewKmerSet(5)
ks2.AddKmerCode(2)
ks2.AddKmerCode(3)
ks2.AddKmerCode(4)
distance1 := ks1.JaccardDistance(ks2)
distance2 := ks2.JaccardDistance(ks1)
similarity1 := ks1.JaccardSimilarity(ks2)
similarity2 := ks2.JaccardSimilarity(ks1)
if math.Abs(distance1-distance2) > 1e-10 {
t.Errorf("Jaccard distance not symmetric: %f vs %f", distance1, distance2)
}
if math.Abs(similarity1-similarity2) > 1e-10 {
t.Errorf("Jaccard similarity not symmetric: %f vs %f", similarity1, similarity2)
}
}

View File

@@ -5,6 +5,7 @@ import (
"sort" "sort"
"unsafe" "unsafe"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidefault"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obifp" "git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obifp"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obilog" "git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obilog"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq" "git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
@@ -267,20 +268,23 @@ func NewKmerMap[T obifp.FPUint[T]](
} }
n := len(sequences) n := len(sequences)
pbopt := make([]progressbar.Option, 0, 5) var bar *progressbar.ProgressBar
pbopt = append(pbopt, if obidefault.ProgressBar() {
progressbar.OptionSetWriter(os.Stderr), pbopt := make([]progressbar.Option, 0, 5)
progressbar.OptionSetWidth(15), pbopt = append(pbopt,
progressbar.OptionShowCount(), progressbar.OptionSetWriter(os.Stderr),
progressbar.OptionShowIts(), progressbar.OptionSetWidth(15),
progressbar.OptionSetDescription("Indexing kmers"), progressbar.OptionShowCount(),
) progressbar.OptionShowIts(),
progressbar.OptionSetDescription("Indexing kmers"),
)
bar := progressbar.NewOptions(n, pbopt...) bar = progressbar.NewOptions(n, pbopt...)
}
for i, sequence := range sequences { for i, sequence := range sequences {
kmap.Push(sequence, maxoccurs) kmap.Push(sequence, maxoccurs)
if i%100 == 0 { if bar != nil && i%100 == 0 {
bar.Add(100) bar.Add(100)
} }
} }

View File

@@ -0,0 +1,47 @@
package obikmer
import (
"math"
log "github.com/sirupsen/logrus"
)
// DefaultMinimizerSize returns ceil(k / 2.5) as a reasonable default minimizer size.
func DefaultMinimizerSize(k int) int {
m := int(math.Ceil(float64(k) / 2.5))
if m < 1 {
m = 1
}
if m >= k {
m = k - 1
}
return m
}
// MinMinimizerSize returns the minimum m such that 4^m >= nworkers,
// i.e. ceil(log(nworkers) / log(4)).
func MinMinimizerSize(nworkers int) int {
if nworkers <= 1 {
return 1
}
return int(math.Ceil(math.Log(float64(nworkers)) / math.Log(4)))
}
// ValidateMinimizerSize checks and adjusts the minimizer size to satisfy constraints:
// - m >= ceil(log(nworkers)/log(4))
// - 1 <= m < k
func ValidateMinimizerSize(m, k, nworkers int) int {
minM := MinMinimizerSize(nworkers)
if m < minM {
log.Warnf("Minimizer size %d too small for %d workers (4^%d = %d < %d), adjusting to %d",
m, nworkers, m, 1<<(2*m), nworkers, minM)
m = minM
}
if m < 1 {
m = 1
}
if m >= k {
m = k - 1
}
return m
}

67
pkg/obikmer/skm_reader.go Normal file
View File

@@ -0,0 +1,67 @@
package obikmer
import (
"bufio"
"encoding/binary"
"io"
"os"
)
// decode2bit maps 2-bit codes back to nucleotide bytes.
var decode2bit = [4]byte{'a', 'c', 'g', 't'}
// SkmReader reads super-kmers from a binary .skm file.
type SkmReader struct {
r *bufio.Reader
file *os.File
}
// NewSkmReader opens a .skm file for reading.
func NewSkmReader(path string) (*SkmReader, error) {
f, err := os.Open(path)
if err != nil {
return nil, err
}
return &SkmReader{
r: bufio.NewReaderSize(f, 65536),
file: f,
}, nil
}
// Next reads the next super-kmer from the file.
// Returns the SuperKmer and true, or a zero SuperKmer and false at EOF.
func (sr *SkmReader) Next() (SuperKmer, bool) {
// Read length
var lenbuf [2]byte
if _, err := io.ReadFull(sr.r, lenbuf[:]); err != nil {
return SuperKmer{}, false
}
seqLen := int(binary.LittleEndian.Uint16(lenbuf[:]))
// Read packed bytes
nBytes := (seqLen + 3) / 4
packed := make([]byte, nBytes)
if _, err := io.ReadFull(sr.r, packed); err != nil {
return SuperKmer{}, false
}
// Decode to nucleotide bytes
seq := make([]byte, seqLen)
for i := 0; i < seqLen; i++ {
byteIdx := i / 4
bitPos := uint(6 - (i%4)*2)
code := (packed[byteIdx] >> bitPos) & 0x03
seq[i] = decode2bit[code]
}
return SuperKmer{
Sequence: seq,
Start: 0,
End: seqLen,
}, true
}
// Close closes the underlying file.
func (sr *SkmReader) Close() error {
return sr.file.Close()
}

176
pkg/obikmer/skm_test.go Normal file
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package obikmer
import (
"os"
"path/filepath"
"testing"
)
func TestSkmRoundTrip(t *testing.T) {
dir := t.TempDir()
path := filepath.Join(dir, "test.skm")
// Create super-kmers from a known sequence
seq := []byte("ACGTACGTACGTACGTACGTACGTACGTACGTACGTACGT")
k := 21
m := 9
superKmers := ExtractSuperKmers(seq, k, m, nil)
if len(superKmers) == 0 {
t.Fatal("no super-kmers extracted")
}
// Write
w, err := NewSkmWriter(path)
if err != nil {
t.Fatal(err)
}
for _, sk := range superKmers {
if err := w.Write(sk); err != nil {
t.Fatal(err)
}
}
if err := w.Close(); err != nil {
t.Fatal(err)
}
// Read back
r, err := NewSkmReader(path)
if err != nil {
t.Fatal(err)
}
defer r.Close()
idx := 0
for {
sk, ok := r.Next()
if !ok {
break
}
if idx >= len(superKmers) {
t.Fatal("read more super-kmers than written")
}
expected := superKmers[idx]
if len(sk.Sequence) != len(expected.Sequence) {
t.Fatalf("super-kmer %d: length mismatch: got %d, want %d",
idx, len(sk.Sequence), len(expected.Sequence))
}
// Compare nucleotide-by-nucleotide (case insensitive since decode produces lowercase)
for j := range sk.Sequence {
got := sk.Sequence[j] | 0x20
want := expected.Sequence[j] | 0x20
if got != want {
t.Fatalf("super-kmer %d pos %d: got %c, want %c", idx, j, got, want)
}
}
idx++
}
if idx != len(superKmers) {
t.Fatalf("read %d super-kmers, want %d", idx, len(superKmers))
}
}
func TestSkmEmptyFile(t *testing.T) {
dir := t.TempDir()
path := filepath.Join(dir, "empty.skm")
// Write nothing
w, err := NewSkmWriter(path)
if err != nil {
t.Fatal(err)
}
if err := w.Close(); err != nil {
t.Fatal(err)
}
// Read back
r, err := NewSkmReader(path)
if err != nil {
t.Fatal(err)
}
defer r.Close()
_, ok := r.Next()
if ok {
t.Fatal("expected no super-kmers in empty file")
}
}
func TestSkmSingleBase(t *testing.T) {
dir := t.TempDir()
path := filepath.Join(dir, "single.skm")
// Test with sequences of various lengths to check padding
sequences := [][]byte{
[]byte("A"),
[]byte("AC"),
[]byte("ACG"),
[]byte("ACGT"),
[]byte("ACGTA"),
}
w, err := NewSkmWriter(path)
if err != nil {
t.Fatal(err)
}
for _, seq := range sequences {
sk := SuperKmer{Sequence: seq}
if err := w.Write(sk); err != nil {
t.Fatal(err)
}
}
if err := w.Close(); err != nil {
t.Fatal(err)
}
r, err := NewSkmReader(path)
if err != nil {
t.Fatal(err)
}
defer r.Close()
for i, expected := range sequences {
sk, ok := r.Next()
if !ok {
t.Fatalf("expected super-kmer %d, got EOF", i)
}
if len(sk.Sequence) != len(expected) {
t.Fatalf("sk %d: length %d, want %d", i, len(sk.Sequence), len(expected))
}
for j := range sk.Sequence {
got := sk.Sequence[j] | 0x20
want := expected[j] | 0x20
if got != want {
t.Fatalf("sk %d pos %d: got %c, want %c", i, j, got, want)
}
}
}
}
func TestSkmFileSize(t *testing.T) {
dir := t.TempDir()
path := filepath.Join(dir, "size.skm")
// Write a sequence of known length
seq := []byte("ACGTACGTAC") // 10 bases
sk := SuperKmer{Sequence: seq}
w, err := NewSkmWriter(path)
if err != nil {
t.Fatal(err)
}
if err := w.Write(sk); err != nil {
t.Fatal(err)
}
if err := w.Close(); err != nil {
t.Fatal(err)
}
// Expected: 2 bytes (length) + ceil(10/4)=3 bytes (data) = 5 bytes
info, err := os.Stat(path)
if err != nil {
t.Fatal(err)
}
if info.Size() != 5 {
t.Fatalf("file size: got %d, want 5", info.Size())
}
}

74
pkg/obikmer/skm_writer.go Normal file
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package obikmer
import (
"bufio"
"encoding/binary"
"os"
)
// SkmWriter writes super-kmers to a binary .skm file.
//
// Format per super-kmer:
//
// [len: uint16 LE] length of the super-kmer in bases
// [data: ceil(len/4) bytes] sequence encoded 2 bits/base, packed
//
// Nucleotide encoding: A=00, C=01, G=10, T=11.
// The last byte is zero-padded on the low bits if len%4 != 0.
type SkmWriter struct {
w *bufio.Writer
file *os.File
}
// NewSkmWriter creates a new SkmWriter writing to the given file path.
func NewSkmWriter(path string) (*SkmWriter, error) {
f, err := os.Create(path)
if err != nil {
return nil, err
}
return &SkmWriter{
w: bufio.NewWriterSize(f, 65536),
file: f,
}, nil
}
// Write encodes a SuperKmer to the .skm file.
// The sequence bytes are packed 2 bits per base.
func (sw *SkmWriter) Write(sk SuperKmer) error {
seq := sk.Sequence
seqLen := uint16(len(seq))
// Write length
var lenbuf [2]byte
binary.LittleEndian.PutUint16(lenbuf[:], seqLen)
if _, err := sw.w.Write(lenbuf[:]); err != nil {
return err
}
// Encode and write packed sequence (2 bits/base)
nBytes := (int(seqLen) + 3) / 4
for i := 0; i < nBytes; i++ {
var packed byte
for j := 0; j < 4; j++ {
pos := i*4 + j
packed <<= 2
if pos < int(seqLen) {
packed |= __single_base_code__[seq[pos]&31]
}
}
if err := sw.w.WriteByte(packed); err != nil {
return err
}
}
return nil
}
// Close flushes buffered data and closes the underlying file.
func (sw *SkmWriter) Close() error {
if err := sw.w.Flush(); err != nil {
sw.file.Close()
return err
}
return sw.file.Close()
}

253
pkg/obikmer/spectrum.go Normal file
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package obikmer
import (
"bufio"
"container/heap"
"encoding/csv"
"fmt"
"os"
"sort"
"strconv"
)
// KSP file magic bytes: "KSP\x01" (K-mer SPectrum v1)
var kspMagic = [4]byte{'K', 'S', 'P', 0x01}
// SpectrumEntry represents one entry in a k-mer frequency spectrum.
type SpectrumEntry struct {
Frequency int // how many times a k-mer was observed
Count uint64 // how many distinct k-mers have this frequency
}
// KmerSpectrum represents the frequency distribution of k-mers.
// Entries are sorted by Frequency in ascending order and only include
// non-zero counts.
type KmerSpectrum struct {
Entries []SpectrumEntry
}
// MaxFrequency returns the highest frequency in the spectrum, or 0 if empty.
func (s *KmerSpectrum) MaxFrequency() int {
if len(s.Entries) == 0 {
return 0
}
return s.Entries[len(s.Entries)-1].Frequency
}
// ToMap converts a KmerSpectrum back to a map for easy lookup.
func (s *KmerSpectrum) ToMap() map[int]uint64 {
m := make(map[int]uint64, len(s.Entries))
for _, e := range s.Entries {
m[e.Frequency] = e.Count
}
return m
}
// MapToSpectrum converts a map[int]uint64 to a sorted KmerSpectrum.
func MapToSpectrum(m map[int]uint64) *KmerSpectrum {
entries := make([]SpectrumEntry, 0, len(m))
for freq, count := range m {
if count > 0 {
entries = append(entries, SpectrumEntry{Frequency: freq, Count: count})
}
}
sort.Slice(entries, func(i, j int) bool {
return entries[i].Frequency < entries[j].Frequency
})
return &KmerSpectrum{Entries: entries}
}
// MergeSpectraMaps adds all entries from b into a.
func MergeSpectraMaps(a, b map[int]uint64) {
for freq, count := range b {
a[freq] += count
}
}
// WriteSpectrum writes a KmerSpectrum to a binary file.
//
// Format:
//
// [magic: 4 bytes "KSP\x01"]
// [n_entries: varint]
// For each entry (sorted by frequency ascending):
// [frequency: varint]
// [count: varint]
func WriteSpectrum(path string, spectrum *KmerSpectrum) error {
f, err := os.Create(path)
if err != nil {
return fmt.Errorf("create spectrum file: %w", err)
}
w := bufio.NewWriterSize(f, 65536)
// Magic
if _, err := w.Write(kspMagic[:]); err != nil {
f.Close()
return err
}
// Number of entries
if _, err := EncodeVarint(w, uint64(len(spectrum.Entries))); err != nil {
f.Close()
return err
}
// Entries
for _, e := range spectrum.Entries {
if _, err := EncodeVarint(w, uint64(e.Frequency)); err != nil {
f.Close()
return err
}
if _, err := EncodeVarint(w, e.Count); err != nil {
f.Close()
return err
}
}
if err := w.Flush(); err != nil {
f.Close()
return err
}
return f.Close()
}
// ReadSpectrum reads a KmerSpectrum from a binary file.
func ReadSpectrum(path string) (*KmerSpectrum, error) {
f, err := os.Open(path)
if err != nil {
return nil, err
}
defer f.Close()
r := bufio.NewReaderSize(f, 65536)
// Check magic
var magic [4]byte
if _, err := r.Read(magic[:]); err != nil {
return nil, fmt.Errorf("read spectrum magic: %w", err)
}
if magic != kspMagic {
return nil, fmt.Errorf("invalid spectrum file magic: %v", magic)
}
// Number of entries
nEntries, err := DecodeVarint(r)
if err != nil {
return nil, fmt.Errorf("read spectrum entry count: %w", err)
}
entries := make([]SpectrumEntry, nEntries)
for i := uint64(0); i < nEntries; i++ {
freq, err := DecodeVarint(r)
if err != nil {
return nil, fmt.Errorf("read spectrum freq at entry %d: %w", i, err)
}
count, err := DecodeVarint(r)
if err != nil {
return nil, fmt.Errorf("read spectrum count at entry %d: %w", i, err)
}
entries[i] = SpectrumEntry{
Frequency: int(freq),
Count: count,
}
}
return &KmerSpectrum{Entries: entries}, nil
}
// KmerFreq associates a k-mer (encoded as uint64) with its observed frequency.
type KmerFreq struct {
Kmer uint64
Freq int
}
// kmerFreqHeap is a min-heap of KmerFreq ordered by Freq (lowest first).
// Used to maintain a top-N most frequent k-mers set.
type kmerFreqHeap []KmerFreq
func (h kmerFreqHeap) Len() int { return len(h) }
func (h kmerFreqHeap) Less(i, j int) bool { return h[i].Freq < h[j].Freq }
func (h kmerFreqHeap) Swap(i, j int) { h[i], h[j] = h[j], h[i] }
func (h *kmerFreqHeap) Push(x interface{}) { *h = append(*h, x.(KmerFreq)) }
func (h *kmerFreqHeap) Pop() interface{} {
old := *h
n := len(old)
x := old[n-1]
*h = old[:n-1]
return x
}
// TopNKmers maintains a collection of the N most frequent k-mers
// using a min-heap. Thread-safe usage requires external synchronization.
type TopNKmers struct {
n int
h kmerFreqHeap
}
// NewTopNKmers creates a new top-N collector.
func NewTopNKmers(n int) *TopNKmers {
return &TopNKmers{
n: n,
h: make(kmerFreqHeap, 0, n+1),
}
}
// Add considers a k-mer with the given frequency for inclusion in the top-N.
func (t *TopNKmers) Add(kmer uint64, freq int) {
if t.n <= 0 {
return
}
if len(t.h) < t.n {
heap.Push(&t.h, KmerFreq{Kmer: kmer, Freq: freq})
} else if freq > t.h[0].Freq {
t.h[0] = KmerFreq{Kmer: kmer, Freq: freq}
heap.Fix(&t.h, 0)
}
}
// Results returns the collected k-mers sorted by frequency descending.
func (t *TopNKmers) Results() []KmerFreq {
result := make([]KmerFreq, len(t.h))
copy(result, t.h)
sort.Slice(result, func(i, j int) bool {
return result[i].Freq > result[j].Freq
})
return result
}
// MergeTopN merges another TopNKmers into this one.
func (t *TopNKmers) MergeTopN(other *TopNKmers) {
if other == nil {
return
}
for _, kf := range other.h {
t.Add(kf.Kmer, kf.Freq)
}
}
// WriteTopKmersCSV writes the top k-mers to a CSV file.
// Columns: sequence, frequency
func WriteTopKmersCSV(path string, topKmers []KmerFreq, k int) error {
f, err := os.Create(path)
if err != nil {
return fmt.Errorf("create top-kmers file: %w", err)
}
defer f.Close()
w := csv.NewWriter(f)
defer w.Flush()
if err := w.Write([]string{"sequence", "frequency"}); err != nil {
return err
}
buf := make([]byte, k)
for _, kf := range topKmers {
seq := DecodeKmer(kf.Kmer, k, buf)
if err := w.Write([]string{string(seq), strconv.Itoa(kf.Freq)}); err != nil {
return err
}
}
return nil
}

59
pkg/obikmer/superkmer.go Normal file
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package obikmer
// SuperKmer represents a maximal subsequence where all consecutive k-mers
// share the same minimizer.
type SuperKmer struct {
Minimizer uint64 // The canonical minimizer value (normalized m-mer)
Start int // Starting position in the original sequence (0-indexed)
End int // Ending position (exclusive, like Go slice notation)
Sequence []byte // The actual DNA subsequence [Start:End]
}
// dequeItem represents an element in the monotone deque used for
// tracking minimizers in a sliding window.
type dequeItem struct {
position int // Position of the m-mer in the sequence
canonical uint64 // Canonical (normalized) m-mer value
}
// ExtractSuperKmers extracts super k-mers from a DNA sequence.
// A super k-mer is a maximal subsequence where all consecutive k-mers
// share the same minimizer. The minimizer of a k-mer is the smallest
// canonical m-mer among its (k-m+1) constituent m-mers.
//
// This function uses IterSuperKmers internally and collects results into a slice.
//
// Parameters:
// - seq: DNA sequence as a byte slice (case insensitive, supports A, C, G, T, U)
// - k: k-mer size (must be between m+1 and 31)
// - m: minimizer size (must be between 1 and k-1)
// - buffer: optional pre-allocated buffer for results. If nil, a new slice is created.
//
// Returns:
// - slice of SuperKmer structs representing maximal subsequences
// - nil if parameters are invalid or sequence is too short
//
// Time complexity: O(n) where n is the sequence length
// Space complexity: O(k-m+1) for the deque + O(number of super k-mers) for results
func ExtractSuperKmers(seq []byte, k int, m int, buffer *[]SuperKmer) []SuperKmer {
if m < 1 || m >= k || k < 2 || k > 31 || len(seq) < k {
return nil
}
var result []SuperKmer
if buffer == nil {
estimatedSize := len(seq) / k
if estimatedSize < 1 {
estimatedSize = 1
}
result = make([]SuperKmer, 0, estimatedSize)
} else {
result = (*buffer)[:0]
}
for sk := range IterSuperKmers(seq, k, m) {
result = append(result, sk)
}
return result
}

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package obikmer
import (
"fmt"
"iter"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
)
// IterSuperKmers returns an iterator over super k-mers extracted from a DNA sequence.
// It uses the same algorithm as ExtractSuperKmers but yields super k-mers one at a time.
//
// Parameters:
// - seq: DNA sequence as a byte slice (case insensitive, supports A, C, G, T, U)
// - k: k-mer size (must be between m+1 and 31)
// - m: minimizer size (must be between 1 and k-1)
//
// Returns:
// - An iterator that yields SuperKmer structs
//
// Example:
//
// for sk := range IterSuperKmers(sequence, 21, 11) {
// fmt.Printf("SuperKmer at %d-%d with minimizer %d\n", sk.Start, sk.End, sk.Minimizer)
// }
func IterSuperKmers(seq []byte, k int, m int) iter.Seq[SuperKmer] {
return func(yield func(SuperKmer) bool) {
if m < 1 || m >= k || k < 2 || k > 31 || len(seq) < k {
return
}
deque := make([]dequeItem, 0, k-m+1)
mMask := uint64(1)<<(m*2) - 1
rcShift := uint((m - 1) * 2)
var fwdMmer, rvcMmer uint64
for i := 0; i < m-1 && i < len(seq); i++ {
code := uint64(__single_base_code__[seq[i]&31])
fwdMmer = (fwdMmer << 2) | code
rvcMmer = (rvcMmer >> 2) | ((code ^ 3) << rcShift)
}
superKmerStart := 0
var currentMinimizer uint64
firstKmer := true
for pos := m - 1; pos < len(seq); pos++ {
code := uint64(__single_base_code__[seq[pos]&31])
fwdMmer = ((fwdMmer << 2) | code) & mMask
rvcMmer = (rvcMmer >> 2) | ((code ^ 3) << rcShift)
canonical := fwdMmer
if rvcMmer < fwdMmer {
canonical = rvcMmer
}
mmerPos := pos - m + 1
if pos >= k-1 {
windowStart := pos - k + 1
for len(deque) > 0 && deque[0].position < windowStart {
deque = deque[1:]
}
}
for len(deque) > 0 && deque[len(deque)-1].canonical >= canonical {
deque = deque[:len(deque)-1]
}
deque = append(deque, dequeItem{position: mmerPos, canonical: canonical})
if pos >= k-1 {
newMinimizer := deque[0].canonical
kmerStart := pos - k + 1
if firstKmer {
currentMinimizer = newMinimizer
firstKmer = false
} else if newMinimizer != currentMinimizer {
endPos := kmerStart + k - 1
superKmer := SuperKmer{
Minimizer: currentMinimizer,
Start: superKmerStart,
End: endPos,
Sequence: seq[superKmerStart:endPos],
}
if !yield(superKmer) {
return
}
superKmerStart = kmerStart
currentMinimizer = newMinimizer
}
}
}
if !firstKmer && len(seq[superKmerStart:]) >= k {
superKmer := SuperKmer{
Minimizer: currentMinimizer,
Start: superKmerStart,
End: len(seq),
Sequence: seq[superKmerStart:],
}
yield(superKmer)
}
}
}
// ToBioSequence converts a SuperKmer to a BioSequence with metadata.
//
// The resulting BioSequence contains:
// - ID: "{parentID}_superkmer_{start}_{end}"
// - Sequence: the actual DNA subsequence
// - Attributes:
// - "minimizer_value" (uint64): the canonical minimizer value
// - "minimizer_seq" (string): the DNA sequence of the minimizer
// - "k" (int): the k-mer size
// - "m" (int): the minimizer size
// - "start" (int): starting position in original sequence
// - "end" (int): ending position in original sequence
// - "parent_id" (string): ID of the parent sequence
//
// Parameters:
// - k: k-mer size used for extraction
// - m: minimizer size used for extraction
// - parentID: ID of the parent sequence
// - parentSource: source field from the parent sequence
//
// Returns:
// - *obiseq.BioSequence: A new BioSequence representing this super k-mer
func (sk *SuperKmer) ToBioSequence(k int, m int, parentID string, parentSource string) *obiseq.BioSequence {
// Create ID for the super-kmer
var id string
if parentID != "" {
id = fmt.Sprintf("%s_superkmer_%d_%d", parentID, sk.Start, sk.End)
} else {
id = fmt.Sprintf("superkmer_%d_%d", sk.Start, sk.End)
}
// Create the BioSequence
seq := obiseq.NewBioSequence(id, sk.Sequence, "")
// Copy source from parent
if parentSource != "" {
seq.SetSource(parentSource)
}
// Set attributes
seq.SetAttribute("minimizer_value", sk.Minimizer)
// Decode the minimizer to get its DNA sequence
minimizerSeq := DecodeKmer(sk.Minimizer, m, nil)
seq.SetAttribute("minimizer_seq", string(minimizerSeq))
seq.SetAttribute("k", k)
seq.SetAttribute("m", m)
seq.SetAttribute("start", sk.Start)
seq.SetAttribute("end", sk.End)
if parentID != "" {
seq.SetAttribute("parent_id", parentID)
}
return seq
}
// SuperKmerWorker creates a SeqWorker that extracts super k-mers from a BioSequence
// and returns them as a slice of BioSequence objects.
//
// The worker copies the source field from the parent sequence to all extracted super k-mers.
//
// Parameters:
// - k: k-mer size (must be between m+1 and 31)
// - m: minimizer size (must be between 1 and k-1)
//
// Returns:
// - SeqWorker: A worker function that can be used in obiiter pipelines
//
// Example:
//
// worker := SuperKmerWorker(21, 11)
// iterator := iterator.MakeIWorker(worker, false)
func SuperKmerWorker(k int, m int) obiseq.SeqWorker {
return func(seq *obiseq.BioSequence) (obiseq.BioSequenceSlice, error) {
if seq == nil {
return obiseq.BioSequenceSlice{}, nil
}
// Validate parameters
if m < 1 || m >= k || k < 2 || k > 31 {
return obiseq.BioSequenceSlice{}, fmt.Errorf(
"invalid parameters: k=%d, m=%d (need 1 <= m < k <= 31)",
k, m)
}
sequence := seq.Sequence()
if len(sequence) < k {
return obiseq.BioSequenceSlice{}, nil
}
parentID := seq.Id()
parentSource := seq.Source()
// Extract super k-mers and convert to BioSequences
result := make(obiseq.BioSequenceSlice, 0)
for sk := range IterSuperKmers(sequence, k, m) {
bioSeq := sk.ToBioSequence(k, m, parentID, parentSource)
result = append(result, bioSeq)
}
return result, nil
}
}

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package obikmer
import (
"testing"
)
func TestIterSuperKmers(t *testing.T) {
seq := []byte("ACGTACGTGGGGAAAA")
k := 5
m := 3
count := 0
for sk := range IterSuperKmers(seq, k, m) {
count++
t.Logf("SuperKmer %d: Minimizer=%d, Start=%d, End=%d, Seq=%s",
count, sk.Minimizer, sk.Start, sk.End, string(sk.Sequence))
// Verify sequence boundaries
if sk.Start < 0 || sk.End > len(seq) {
t.Errorf("Invalid boundaries: Start=%d, End=%d, seqLen=%d",
sk.Start, sk.End, len(seq))
}
// Verify sequence content
if string(sk.Sequence) != string(seq[sk.Start:sk.End]) {
t.Errorf("Sequence mismatch: expected %s, got %s",
string(seq[sk.Start:sk.End]), string(sk.Sequence))
}
}
if count == 0 {
t.Error("No super k-mers extracted")
}
t.Logf("Total super k-mers extracted: %d", count)
}
func TestIterSuperKmersVsSlice(t *testing.T) {
seq := []byte("ACGTACGTGGGGAAAAACGTACGT")
k := 7
m := 4
// Extract using slice version
sliceResult := ExtractSuperKmers(seq, k, m, nil)
// Extract using iterator version
var iterResult []SuperKmer
for sk := range IterSuperKmers(seq, k, m) {
iterResult = append(iterResult, sk)
}
// Compare counts
if len(sliceResult) != len(iterResult) {
t.Errorf("Different number of super k-mers: slice=%d, iter=%d",
len(sliceResult), len(iterResult))
}
// Compare each super k-mer
for i := 0; i < len(sliceResult) && i < len(iterResult); i++ {
slice := sliceResult[i]
iter := iterResult[i]
if slice.Minimizer != iter.Minimizer {
t.Errorf("SuperKmer %d: different minimizers: slice=%d, iter=%d",
i, slice.Minimizer, iter.Minimizer)
}
if slice.Start != iter.Start || slice.End != iter.End {
t.Errorf("SuperKmer %d: different boundaries: slice=[%d:%d], iter=[%d:%d]",
i, slice.Start, slice.End, iter.Start, iter.End)
}
if string(slice.Sequence) != string(iter.Sequence) {
t.Errorf("SuperKmer %d: different sequences: slice=%s, iter=%s",
i, string(slice.Sequence), string(iter.Sequence))
}
}
}
// TestSuperKmerMinimizerBijection validates the intrinsic property that
// a super k-mer sequence has one and only one minimizer (bijection property).
// This test ensures that:
// 1. All k-mers in a super k-mer share the same minimizer
// 2. Two identical super k-mer sequences must have the same minimizer
func TestSuperKmerMinimizerBijection(t *testing.T) {
testCases := []struct {
name string
seq []byte
k int
m int
}{
{
name: "simple sequence",
seq: []byte("ACGTACGTACGTACGTACGTACGTACGTACGT"),
k: 21,
m: 11,
},
{
name: "homopolymer blocks",
seq: []byte("AAAACCCCGGGGTTTTAAAACCCCGGGGTTTT"),
k: 21,
m: 11,
},
{
name: "complex sequence",
seq: []byte("ATCGATCGATCGATCGATCGATCGATCGATCG"),
k: 15,
m: 7,
},
{
name: "longer sequence",
seq: []byte("ACGTACGTGGGGAAAAACGTACGTTTTTCCCCACGTACGT"),
k: 13,
m: 7,
},
}
for _, tc := range testCases {
t.Run(tc.name, func(t *testing.T) {
// Map to track sequence -> minimizer
seqToMinimizer := make(map[string]uint64)
for sk := range IterSuperKmers(tc.seq, tc.k, tc.m) {
seqStr := string(sk.Sequence)
// Check if we've seen this sequence before
if prevMinimizer, exists := seqToMinimizer[seqStr]; exists {
if prevMinimizer != sk.Minimizer {
t.Errorf("BIJECTION VIOLATION: sequence %s has two different minimizers:\n"+
" First: %d\n"+
" Second: %d\n"+
" This violates the super k-mer definition!",
seqStr, prevMinimizer, sk.Minimizer)
}
} else {
seqToMinimizer[seqStr] = sk.Minimizer
}
// Verify all k-mers in this super k-mer have the same minimizer
if len(sk.Sequence) >= tc.k {
for i := 0; i <= len(sk.Sequence)-tc.k; i++ {
kmerSeq := sk.Sequence[i : i+tc.k]
minimizer := findMinimizer(kmerSeq, tc.k, tc.m)
if minimizer != sk.Minimizer {
t.Errorf("K-mer at position %d in super k-mer has different minimizer:\n"+
" K-mer: %s\n"+
" Expected minimizer: %d\n"+
" Actual minimizer: %d\n"+
" Super k-mer: %s",
i, string(kmerSeq), sk.Minimizer, minimizer, seqStr)
}
}
}
}
})
}
}
// findMinimizer computes the minimizer of a k-mer for testing purposes
func findMinimizer(kmer []byte, k int, m int) uint64 {
if len(kmer) != k {
return 0
}
mMask := uint64(1)<<(m*2) - 1
rcShift := uint((m - 1) * 2)
minMinimizer := uint64(^uint64(0)) // max uint64
// Scan all m-mers in the k-mer
var fwdMmer, rvcMmer uint64
for i := 0; i < m-1 && i < len(kmer); i++ {
code := uint64(__single_base_code__[kmer[i]&31])
fwdMmer = (fwdMmer << 2) | code
rvcMmer = (rvcMmer >> 2) | ((code ^ 3) << rcShift)
}
for i := m - 1; i < len(kmer); i++ {
code := uint64(__single_base_code__[kmer[i]&31])
fwdMmer = ((fwdMmer << 2) | code) & mMask
rvcMmer = (rvcMmer >> 2) | ((code ^ 3) << rcShift)
canonical := fwdMmer
if rvcMmer < fwdMmer {
canonical = rvcMmer
}
if canonical < minMinimizer {
minMinimizer = canonical
}
}
return minMinimizer
}
// Note: Tests for ToBioSequence and SuperKmerWorker are in a separate
// integration test package to avoid circular dependencies between
// obikmer and obiseq packages.

53
pkg/obikmer/varint.go Normal file
View File

@@ -0,0 +1,53 @@
package obikmer
import "io"
// EncodeVarint writes a uint64 value as a variable-length integer to w.
// Uses 7 bits per byte with the high bit as a continuation flag
// (identical to protobuf unsigned varint encoding).
// Returns the number of bytes written.
func EncodeVarint(w io.Writer, v uint64) (int, error) {
var buf [10]byte // max 10 bytes for uint64 varint
n := 0
for v >= 0x80 {
buf[n] = byte(v) | 0x80
v >>= 7
n++
}
buf[n] = byte(v)
n++
return w.Write(buf[:n])
}
// DecodeVarint reads a variable-length encoded uint64 from r.
// Returns the decoded value and any error encountered.
func DecodeVarint(r io.Reader) (uint64, error) {
var val uint64
var shift uint
var buf [1]byte
for {
if _, err := io.ReadFull(r, buf[:]); err != nil {
return 0, err
}
b := buf[0]
val |= uint64(b&0x7F) << shift
if b < 0x80 {
return val, nil
}
shift += 7
if shift >= 70 {
return 0, io.ErrUnexpectedEOF
}
}
}
// VarintLen returns the number of bytes needed to encode v as a varint.
func VarintLen(v uint64) int {
n := 1
for v >= 0x80 {
v >>= 7
n++
}
return n
}

View File

@@ -0,0 +1,82 @@
package obikmer
import (
"bytes"
"testing"
)
func TestVarintRoundTrip(t *testing.T) {
values := []uint64{
0, 1, 127, 128, 255, 256,
16383, 16384,
1<<21 - 1, 1 << 21,
1<<28 - 1, 1 << 28,
1<<35 - 1, 1 << 35,
1<<42 - 1, 1 << 42,
1<<49 - 1, 1 << 49,
1<<56 - 1, 1 << 56,
1<<63 - 1, 1 << 63,
^uint64(0), // max uint64
}
for _, v := range values {
var buf bytes.Buffer
n, err := EncodeVarint(&buf, v)
if err != nil {
t.Fatalf("EncodeVarint(%d): %v", v, err)
}
if n != VarintLen(v) {
t.Fatalf("EncodeVarint(%d): wrote %d bytes, VarintLen says %d", v, n, VarintLen(v))
}
decoded, err := DecodeVarint(&buf)
if err != nil {
t.Fatalf("DecodeVarint for %d: %v", v, err)
}
if decoded != v {
t.Fatalf("roundtrip failed: encoded %d, decoded %d", v, decoded)
}
}
}
func TestVarintLen(t *testing.T) {
tests := []struct {
value uint64
expected int
}{
{0, 1},
{127, 1},
{128, 2},
{16383, 2},
{16384, 3},
{^uint64(0), 10},
}
for _, tc := range tests {
got := VarintLen(tc.value)
if got != tc.expected {
t.Errorf("VarintLen(%d) = %d, want %d", tc.value, got, tc.expected)
}
}
}
func TestVarintSequence(t *testing.T) {
var buf bytes.Buffer
values := []uint64{0, 42, 1000000, ^uint64(0), 1}
for _, v := range values {
if _, err := EncodeVarint(&buf, v); err != nil {
t.Fatalf("EncodeVarint(%d): %v", v, err)
}
}
for _, expected := range values {
got, err := DecodeVarint(&buf)
if err != nil {
t.Fatalf("DecodeVarint: %v", err)
}
if got != expected {
t.Errorf("got %d, want %d", got, expected)
}
}
}

View File

@@ -8,6 +8,7 @@ import (
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidefault" "git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidefault"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiformats" "git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiformats"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiutils"
log "github.com/sirupsen/logrus" log "github.com/sirupsen/logrus"
"github.com/DavidGamba/go-getoptions" "github.com/DavidGamba/go-getoptions"
@@ -26,16 +27,11 @@ var __defaut_taxonomy_mutex__ sync.Mutex
type ArgumentParser func([]string) (*getoptions.GetOpt, []string) type ArgumentParser func([]string) (*getoptions.GetOpt, []string)
func GenerateOptionParser(program string, // RegisterGlobalOptions registers the global options shared by all obitools
documentation string, // commands onto the given GetOpt instance. It does NOT register --help,
optionset ...func(*getoptions.GetOpt)) ArgumentParser { // which must be handled by the caller (either as a Bool option or via
// HelpCommand for subcommand-based parsers).
options := getoptions.New() func RegisterGlobalOptions(options *getoptions.GetOpt) {
options.Self(program, documentation)
options.SetMode(getoptions.Bundling)
options.SetUnknownMode(getoptions.Fail)
options.Bool("help", false, options.Alias("h", "?"))
options.Bool("version", false, options.Bool("version", false,
options.Description("Prints the version and exits.")) options.Description("Prints the version and exits."))
@@ -46,17 +42,10 @@ func GenerateOptionParser(program string,
options.BoolVar(&_Pprof, "pprof", false, options.BoolVar(&_Pprof, "pprof", false,
options.Description("Enable pprof server. Look at the log for details.")) options.Description("Enable pprof server. Look at the log for details."))
// options.IntVar(&_ParallelWorkers, "workers", _ParallelWorkers,
// options.Alias("w"),
// options.Description("Number of parallele threads computing the result"))
options.IntVar(obidefault.MaxCPUPtr(), "max-cpu", obidefault.MaxCPU(), options.IntVar(obidefault.MaxCPUPtr(), "max-cpu", obidefault.MaxCPU(),
options.GetEnv("OBIMAXCPU"), options.GetEnv("OBIMAXCPU"),
options.Description("Number of parallele threads computing the result")) options.Description("Number of parallele threads computing the result"))
// options.BoolVar(&_Pprof, "force-one-cpu", false,
// options.Description("Force to use only one cpu core for parallel processing"))
options.IntVar(&_PprofMudex, "pprof-mutex", _PprofMudex, options.IntVar(&_PprofMudex, "pprof-mutex", _PprofMudex,
options.GetEnv("OBIPPROFMUTEX"), options.GetEnv("OBIPPROFMUTEX"),
options.Description("Enable profiling of mutex lock.")) options.Description("Enable profiling of mutex lock."))
@@ -67,7 +56,15 @@ func GenerateOptionParser(program string,
options.IntVar(obidefault.BatchSizePtr(), "batch-size", obidefault.BatchSize(), options.IntVar(obidefault.BatchSizePtr(), "batch-size", obidefault.BatchSize(),
options.GetEnv("OBIBATCHSIZE"), options.GetEnv("OBIBATCHSIZE"),
options.Description("Number of sequence per batch for paralelle processing")) options.Description("Minimum number of sequences per batch (floor, default 1)"))
options.IntVar(obidefault.BatchSizeMaxPtr(), "batch-size-max", obidefault.BatchSizeMax(),
options.GetEnv("OBIBATCHSIZEMAX"),
options.Description("Maximum number of sequences per batch (ceiling, default 2000)"))
options.StringVar(obidefault.BatchMemStrPtr(), "batch-mem", "",
options.GetEnv("OBIBATCHMEM"),
options.Description("Maximum memory per batch (e.g. 128K, 64M, 1G; default: 128M). Set to 0 to disable."))
options.Bool("solexa", false, options.Bool("solexa", false,
options.GetEnv("OBISOLEXA"), options.GetEnv("OBISOLEXA"),
@@ -77,119 +74,128 @@ func GenerateOptionParser(program string,
options.GetEnv("OBIWARNING"), options.GetEnv("OBIWARNING"),
options.Description("Stop printing of the warning message"), options.Description("Stop printing of the warning message"),
) )
}
// ProcessParsedOptions handles the post-parse logic common to all obitools
// commands: help, version, debug, pprof, taxonomy, cpu configuration, etc.
// It receives the GetOpt instance and the parse error (if any).
func ProcessParsedOptions(options *getoptions.GetOpt, parseErr error) {
// Note: "help" may not be registered as a Bool (e.g. when using HelpCommand
// for subcommand-based parsers). Only check if it won't panic.
// We use a recover guard to be safe.
func() {
defer func() { recover() }()
if options.Called("help") {
fmt.Fprint(os.Stderr, options.Help())
os.Exit(0)
}
}()
if options.Called("version") {
fmt.Fprintf(os.Stderr, "OBITools %s\n", VersionString())
os.Exit(0)
}
if options.Called("taxonomy") {
__defaut_taxonomy_mutex__.Lock()
defer __defaut_taxonomy_mutex__.Unlock()
taxonomy, err := obiformats.LoadTaxonomy(
obidefault.SelectedTaxonomy(),
!obidefault.AreAlternativeNamesSelected(),
SeqAsTaxa(),
)
if err != nil {
log.Fatalf("Cannot load default taxonomy: %v", err)
}
taxonomy.SetAsDefault()
}
log.SetLevel(log.InfoLevel)
if options.Called("debug") {
log.SetLevel(log.DebugLevel)
log.Debugln("Switch to debug level logging")
}
if options.Called("pprof") {
url := "localhost:6060"
go http.ListenAndServe(url, nil)
log.Infof("Start a pprof server at address %s/debug/pprof", url)
log.Info("Profil can be followed running concurrently the command :")
log.Info(" go tool pprof -http=127.0.0.1:8080 'http://localhost:6060/debug/pprof/profile?seconds=30'")
}
if options.Called("pprof-mutex") {
url := "localhost:6060"
go http.ListenAndServe(url, nil)
runtime.SetMutexProfileFraction(_PprofMudex)
log.Infof("Start a pprof server at address %s/debug/pprof", url)
log.Info("Profil can be followed running concurrently the command :")
log.Info(" go tool pprof -http=127.0.0.1:8080 'http://localhost:6060/debug/pprof/mutex'")
}
if options.Called("pprof-goroutine") {
url := "localhost:6060"
go http.ListenAndServe(url, nil)
runtime.SetBlockProfileRate(_PprofGoroutine)
log.Infof("Start a pprof server at address %s/debug/pprof", url)
log.Info("Profil can be followed running concurrently the command :")
log.Info(" go tool pprof -http=127.0.0.1:8080 'http://localhost:6060/debug/pprof/block'")
}
// Handle user errors
if parseErr != nil {
fmt.Fprintf(os.Stderr, "ERROR: %s\n\n", parseErr)
fmt.Fprint(os.Stderr, options.Help(getoptions.HelpSynopsis))
os.Exit(1)
}
runtime.GOMAXPROCS(obidefault.MaxCPU())
if options.Called("max-cpu") {
log.Printf("CPU number limited to %d", obidefault.MaxCPU())
}
if options.Called("no-singleton") {
log.Printf("No singleton option set")
}
log.Printf("Number of workers set %d", obidefault.ParallelWorkers())
if options.Called("solexa") {
obidefault.SetReadQualitiesShift(64)
}
if options.Called("batch-mem") {
n, err := obiutils.ParseMemSize(obidefault.BatchMemStr())
if err != nil {
log.Fatalf("Invalid --batch-mem value %q: %v", obidefault.BatchMemStr(), err)
}
obidefault.SetBatchMem(n)
log.Printf("Memory-based batching enabled: %s per batch", obidefault.BatchMemStr())
}
}
func GenerateOptionParser(program string,
documentation string,
optionset ...func(*getoptions.GetOpt)) ArgumentParser {
options := getoptions.New()
options.Self(program, documentation)
options.SetMode(getoptions.Bundling)
options.SetUnknownMode(getoptions.Fail)
options.Bool("help", false, options.Alias("h", "?"))
RegisterGlobalOptions(options)
for _, o := range optionset { for _, o := range optionset {
o(options) o(options)
} }
return func(args []string) (*getoptions.GetOpt, []string) { return func(args []string) (*getoptions.GetOpt, []string) {
remaining, err := options.Parse(args[1:]) remaining, err := options.Parse(args[1:])
ProcessParsedOptions(options, err)
if options.Called("help") {
fmt.Fprint(os.Stderr, options.Help())
os.Exit(0)
}
if options.Called("version") {
fmt.Fprintf(os.Stderr, "OBITools %s\n", VersionString())
os.Exit(0)
}
if options.Called("taxonomy") {
__defaut_taxonomy_mutex__.Lock()
defer __defaut_taxonomy_mutex__.Unlock()
taxonomy, err := obiformats.LoadTaxonomy(
obidefault.SelectedTaxonomy(),
!obidefault.AreAlternativeNamesSelected(),
SeqAsTaxa(),
)
if err != nil {
log.Fatalf("Cannot load default taxonomy: %v", err)
}
taxonomy.SetAsDefault()
}
log.SetLevel(log.InfoLevel)
if options.Called("debug") {
log.SetLevel(log.DebugLevel)
log.Debugln("Switch to debug level logging")
}
if options.Called("pprof") {
url := "localhost:6060"
go http.ListenAndServe(url, nil)
log.Infof("Start a pprof server at address %s/debug/pprof", url)
log.Info("Profil can be followed running concurrently the command :")
log.Info(" go tool pprof -http=127.0.0.1:8080 'http://localhost:6060/debug/pprof/profile?seconds=30'")
}
if options.Called("pprof-mutex") {
url := "localhost:6060"
go http.ListenAndServe(url, nil)
runtime.SetMutexProfileFraction(_PprofMudex)
log.Infof("Start a pprof server at address %s/debug/pprof", url)
log.Info("Profil can be followed running concurrently the command :")
log.Info(" go tool pprof -http=127.0.0.1:8080 'http://localhost:6060/debug/pprof/mutex'")
}
if options.Called("pprof-goroutine") {
url := "localhost:6060"
go http.ListenAndServe(url, nil)
runtime.SetBlockProfileRate(_PprofGoroutine)
log.Infof("Start a pprof server at address %s/debug/pprof", url)
log.Info("Profil can be followed running concurrently the command :")
log.Info(" go tool pprof -http=127.0.0.1:8080 'http://localhost:6060/debug/pprof/block'")
}
// Handle user errors
if err != nil {
fmt.Fprintf(os.Stderr, "ERROR: %s\n\n", err)
fmt.Fprint(os.Stderr, options.Help(getoptions.HelpSynopsis))
os.Exit(1)
}
// // Setup the maximum number of CPU usable by the program
// if obidefault.MaxCPU() == 1 {
// log.Warn("Limitating the Maximum number of CPU to 1 is not recommanded")
// log.Warn("The number of CPU requested has been set to 2")
// obidefault.SetMaxCPU(2)
// }
// if options.Called("force-one-cpu") {
// log.Warn("Limitating the Maximum number of CPU to 1 is not recommanded")
// log.Warn("The number of CPU has been forced to 1")
// log.Warn("This can lead to unexpected behavior")
// obidefault.SetMaxCPU(1)
// }
runtime.GOMAXPROCS(obidefault.MaxCPU())
// if options.Called("max-cpu") || options.Called("force-one-cpu") {
// log.Printf("CPU number limited to %d", obidefault.MaxCPU())
// }
if options.Called("max-cpu") {
log.Printf("CPU number limited to %d", obidefault.MaxCPU())
}
if options.Called("no-singleton") {
log.Printf("No singleton option set")
}
log.Printf("Number of workers set %d", obidefault.ParallelWorkers())
// if options.Called("workers") {
// }
if options.Called("solexa") {
obidefault.SetReadQualitiesShift(64)
}
return options, remaining return options, remaining
} }
} }

View File

@@ -0,0 +1,43 @@
package obioptions
import (
"github.com/DavidGamba/go-getoptions"
)
// GenerateSubcommandParser creates an option parser that supports subcommands
// via go-getoptions' NewCommand/SetCommandFn/Dispatch API.
//
// The setup function receives the root *GetOpt and should register subcommands
// using opt.NewCommand(). Global options (--debug, --max-cpu, etc.) are
// registered before setup is called and are inherited by all subcommands.
//
// Returns the root *GetOpt (needed for Dispatch) and an ArgumentParser
// that handles parsing and post-parse processing.
func GenerateSubcommandParser(
program string,
documentation string,
setup func(opt *getoptions.GetOpt),
) (*getoptions.GetOpt, ArgumentParser) {
options := getoptions.New()
options.Self(program, documentation)
options.SetMode(getoptions.Bundling)
options.SetUnknownMode(getoptions.Fail)
// Register global options (inherited by all subcommands)
RegisterGlobalOptions(options)
// Let the caller register subcommands
setup(options)
// Add automatic help subcommand (must be after all commands)
options.HelpCommand("help", options.Description("Show help for a command"))
parser := func(args []string) (*getoptions.GetOpt, []string) {
remaining, err := options.Parse(args[1:])
ProcessParsedOptions(options, err)
return options, remaining
}
return options, parser
}

View File

@@ -3,7 +3,7 @@ package obioptions
// Version is automatically updated by the Makefile from version.txt // Version is automatically updated by the Makefile from version.txt
// The patch number (third digit) is incremented on each push to the repository // The patch number (third digit) is incremented on each push to the repository
var _Version = "Release 4.4.4" var _Version = "Release 4.4.25"
// Version returns the version of the obitools package. // Version returns the version of the obitools package.
// //

View File

@@ -120,6 +120,19 @@ func NewBioSequence(id string,
return bs return bs
} }
// NewBioSequenceOwning creates a BioSequence taking ownership of the sequence
// slice without copying it. The caller must not use the slice after this call.
// Use this when the slice was allocated specifically for this sequence.
func NewBioSequenceOwning(id string,
sequence []byte,
definition string) *BioSequence {
bs := NewEmptyBioSequence(0)
bs.SetId(id)
bs.TakeSequence(sequence)
bs.SetDefinition(definition)
return bs
}
// NewBioSequenceWithQualities creates a new BioSequence object with the given id, sequence, definition, and qualities. // NewBioSequenceWithQualities creates a new BioSequence object with the given id, sequence, definition, and qualities.
// //
// Parameters: // Parameters:
@@ -260,6 +273,28 @@ func (s *BioSequence) Len() int {
return len(s.sequence) return len(s.sequence)
} }
// MemorySize returns an estimate of the memory footprint of the BioSequence
// in bytes. It accounts for the sequence, quality scores, feature data,
// annotations, and fixed struct overhead. The estimate is conservative
// (cap rather than len for byte slices) so it is suitable for memory-based
// batching decisions.
func (s *BioSequence) MemorySize() int {
if s == nil {
return 0
}
// fixed struct overhead (strings, pointers, mutex pointer)
const overhead = 128
n := overhead
n += cap(s.sequence)
n += cap(s.qualities)
n += cap(s.feature)
n += len(s.id)
n += len(s.source)
// rough annotation estimate: each key+value pair ~64 bytes on average
n += len(s.annotations) * 64
return n
}
// HasQualities checks if the BioSequence has sequence qualitiy scores. // HasQualities checks if the BioSequence has sequence qualitiy scores.
// //
// This function does not have any parameters. // This function does not have any parameters.
@@ -444,6 +479,12 @@ func (s *BioSequence) SetSequence(sequence []byte) {
s.sequence = obiutils.InPlaceToLower(CopySlice(sequence)) s.sequence = obiutils.InPlaceToLower(CopySlice(sequence))
} }
// TakeSequence stores the slice directly without copying, then lowercases in-place.
// The caller must not use the slice after this call.
func (s *BioSequence) TakeSequence(sequence []byte) {
s.sequence = obiutils.InPlaceToLower(sequence)
}
func (s *BioSequence) HasValidSequence() bool { func (s *BioSequence) HasValidSequence() bool {
for _, c := range s.sequence { for _, c := range s.sequence {
if !((c >= 'a' && c <= 'z') || c == '-' || c == '.' || c == '[' || c == ']') { if !((c >= 'a' && c <= 'z') || c == '-' || c == '.' || c == '[' || c == ']') {
@@ -461,6 +502,15 @@ func (s *BioSequence) SetQualities(qualities Quality) {
s.qualities = CopySlice(qualities) s.qualities = CopySlice(qualities)
} }
// TakeQualities stores the slice directly without copying.
// The caller must not use the slice after this call.
func (s *BioSequence) TakeQualities(qualities Quality) {
if s.qualities != nil {
RecycleSlice(&s.qualities)
}
s.qualities = qualities
}
// A method that appends a byte slice to the qualities of the BioSequence. // A method that appends a byte slice to the qualities of the BioSequence.
func (s *BioSequence) WriteQualities(data []byte) (int, error) { func (s *BioSequence) WriteQualities(data []byte) (int, error) {
s.qualities = append(s.qualities, data...) s.qualities = append(s.qualities, data...)

View File

@@ -195,7 +195,7 @@ func (s *BioSequenceSlice) ExtractTaxonomy(taxonomy *obitax.Taxonomy, seqAsTaxa
return nil, fmt.Errorf("sequence %v has no path", s.Id()) return nil, fmt.Errorf("sequence %v has no path", s.Id())
} }
last := path[len(path)-1] last := path[len(path)-1]
taxname, _ := obiutils.SplitInTwo(last, ':') taxname, _ := obiutils.LeftSplitInTwo(last, ':')
if idx, ok := s.GetIntAttribute("seq_number"); !ok { if idx, ok := s.GetIntAttribute("seq_number"); !ok {
return nil, errors.New("sequences are not numbered") return nil, errors.New("sequences are not numbered")
} else { } else {

View File

@@ -1,13 +1,20 @@
package obiseq package obiseq
import ( import (
"runtime"
"sync" "sync"
"sync/atomic"
log "github.com/sirupsen/logrus" log "github.com/sirupsen/logrus"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiutils" "git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiutils"
) )
const _LargeSliceThreshold = 100 * 1024 // 100 kb — below: leave to GC, above: trigger explicit GC
const _GCBytesBudget = int64(256 * 1024 * 1024) // trigger GC every 256 MB of large discards
var _largeSliceDiscardedBytes = atomic.Int64{}
var _BioSequenceByteSlicePool = sync.Pool{ var _BioSequenceByteSlicePool = sync.Pool{
New: func() interface{} { New: func() interface{} {
bs := make([]byte, 0, 300) bs := make([]byte, 0, 300)
@@ -34,6 +41,13 @@ func RecycleSlice(s *[]byte) {
} }
if cap(*s) <= 1024 { if cap(*s) <= 1024 {
_BioSequenceByteSlicePool.Put(s) _BioSequenceByteSlicePool.Put(s)
} else if cap(*s) >= _LargeSliceThreshold {
n := int64(cap(*s))
*s = nil
prev := _largeSliceDiscardedBytes.Load()
if _largeSliceDiscardedBytes.Add(n)/_GCBytesBudget > prev/_GCBytesBudget {
runtime.GC()
}
} }
} }
} }

View File

@@ -31,7 +31,7 @@ func NewTaxidFactory(code string, alphabet obiutils.AsciiSet) *TaxidFactory {
// It extracts the relevant part of the string after the first colon (':') if present. // It extracts the relevant part of the string after the first colon (':') if present.
func (f *TaxidFactory) FromString(taxid string) (Taxid, error) { func (f *TaxidFactory) FromString(taxid string) (Taxid, error) {
taxid = obiutils.AsciiSpaceSet.TrimLeft(taxid) taxid = obiutils.AsciiSpaceSet.TrimLeft(taxid)
part1, part2 := obiutils.SplitInTwo(taxid, ':') part1, part2 := obiutils.LeftSplitInTwo(taxid, ':')
if len(part2) == 0 { if len(part2) == 0 {
taxid = part1 taxid = part1
} else { } else {

View File

@@ -13,6 +13,7 @@ import (
log "github.com/sirupsen/logrus" log "github.com/sirupsen/logrus"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obialign" "git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obialign"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidefault"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiutils" "git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiutils"
"github.com/schollz/progressbar/v3" "github.com/schollz/progressbar/v3"
) )
@@ -63,22 +64,24 @@ func EmpiricalDistCsv(filename string, data [][]Ratio, compressed bool) {
fmt.Println(err) fmt.Println(err)
} }
destfile, err := obiutils.CompressStream(file, true, true) destfile, err := obiutils.CompressStream(file, compressed, true)
if err != nil { if err != nil {
fmt.Println(err) fmt.Println(err)
} }
defer destfile.Close() defer destfile.Close()
pbopt := make([]progressbar.Option, 0, 5) var bar *progressbar.ProgressBar
pbopt = append(pbopt, if obidefault.ProgressBar() {
progressbar.OptionSetWriter(os.Stderr), pbopt := make([]progressbar.Option, 0, 5)
progressbar.OptionSetWidth(15), pbopt = append(pbopt,
progressbar.OptionShowIts(), progressbar.OptionSetWriter(os.Stderr),
progressbar.OptionSetPredictTime(true), progressbar.OptionSetWidth(15),
progressbar.OptionSetDescription("[Save CSV stat ratio file]"), progressbar.OptionShowIts(),
) progressbar.OptionSetPredictTime(true),
progressbar.OptionSetDescription("[Save CSV stat ratio file]"),
bar := progressbar.NewOptions(len(data), pbopt...) )
bar = progressbar.NewOptions(len(data), pbopt...)
}
fmt.Fprintln(destfile, "Sample,Origin_id,Origin_status,Origin,Mutant,Origin_Weight,Mutant_Weight,Origin_Count,Mutant_Count,Position,Origin_length,A,C,G,T") fmt.Fprintln(destfile, "Sample,Origin_id,Origin_status,Origin,Mutant,Origin_Weight,Mutant_Weight,Origin_Count,Mutant_Count,Position,Origin_length,A,C,G,T")
for code, dist := range data { for code, dist := range data {
@@ -101,7 +104,9 @@ func EmpiricalDistCsv(filename string, data [][]Ratio, compressed bool) {
ratio.T, ratio.T,
) )
} }
bar.Add(1) if bar != nil {
bar.Add(1)
}
} }
} }
@@ -116,7 +121,7 @@ func Gml(seqs *[]*seqPCR, sample string, statThreshold int) string {
directed 1 directed 1
{{range $index, $data:= .}} {{range $index, $data:= .}}
{{ if or $data.Edges (gt $data.SonCount 0)}} {{ if or $data.Edges (gt $data.SonCount 0)}}
node [ id {{$index}} node [ id {{$index}}
graphics [ graphics [
type "{{ Shape $data.Count }}" type "{{ Shape $data.Count }}"
fill "{{ if and (gt $data.SonCount 0) (not $data.Edges)}}#0000FF{{ else }}#00FF00{{ end }}" fill "{{ if and (gt $data.SonCount 0) (not $data.Edges)}}#0000FF{{ else }}#00FF00{{ end }}"
@@ -130,15 +135,15 @@ func Gml(seqs *[]*seqPCR, sample string, statThreshold int) string {
{{range $index, $data:= .}} {{range $index, $data:= .}}
{{range $i, $edge:= $data.Edges}} {{range $i, $edge:= $data.Edges}}
edge [ source {{$index}} edge [ source {{$index}}
target {{$edge.Father}} target {{$edge.Father}}
color "{{ if gt (index $data.Edges $i).Dist 1 }}#FF0000{{ else }}#00FF00{{ end }}" color "{{ if gt (index $data.Edges $i).Dist 1 }}#FF0000{{ else }}#00FF00{{ end }}"
label "{{(index $data.Edges $i).Dist}}" label "{{(index $data.Edges $i).Dist}}"
] ]
{{ end }} {{ end }}
{{ end }} {{ end }}
] ]
` `
tmpl, err := digraphTpl.Funcs(template.FuncMap{ tmpl, err := digraphTpl.Funcs(template.FuncMap{
@@ -181,16 +186,18 @@ func SaveGMLGraphs(dirname string,
} }
} }
pbopt := make([]progressbar.Option, 0, 5) var bar *progressbar.ProgressBar
pbopt = append(pbopt, if obidefault.ProgressBar() {
progressbar.OptionSetWriter(os.Stderr), pbopt := make([]progressbar.Option, 0, 5)
progressbar.OptionSetWidth(15), pbopt = append(pbopt,
progressbar.OptionShowIts(), progressbar.OptionSetWriter(os.Stderr),
progressbar.OptionSetPredictTime(true), progressbar.OptionSetWidth(15),
progressbar.OptionSetDescription("[Save GML Graph files]"), progressbar.OptionShowIts(),
) progressbar.OptionSetPredictTime(true),
progressbar.OptionSetDescription("[Save GML Graph files]"),
bar := progressbar.NewOptions(len(samples), pbopt...) )
bar = progressbar.NewOptions(len(samples), pbopt...)
}
for name, seqs := range samples { for name, seqs := range samples {
@@ -204,7 +211,9 @@ func SaveGMLGraphs(dirname string,
file.WriteString(Gml(seqs, name, statThreshold)) file.WriteString(Gml(seqs, name, statThreshold))
file.Close() file.Close()
bar.Add(1) if bar != nil {
bar.Add(1)
}
} }
} }
@@ -495,37 +504,44 @@ func BuildSeqGraph(samples map[string]*[]*seqPCR,
npairs += nseq * (nseq - 1) / 2 npairs += nseq * (nseq - 1) / 2
} }
pbopt := make([]progressbar.Option, 0, 5) var bar *progressbar.ProgressBar
pbopt = append(pbopt, if obidefault.ProgressBar() {
progressbar.OptionSetWriter(os.Stderr), pbopt := make([]progressbar.Option, 0, 5)
progressbar.OptionSetWidth(15),
progressbar.OptionShowIts(),
progressbar.OptionSetPredictTime(true),
progressbar.OptionSetDescription("[One error graph]"),
)
bar := progressbar.NewOptions(npairs, pbopt...)
for _, seqs := range samples {
np := buildSamplePairs(seqs, workers)
bar.Add(np)
}
if maxError > 1 {
pbopt = make([]progressbar.Option, 0, 5)
pbopt = append(pbopt, pbopt = append(pbopt,
progressbar.OptionSetWriter(os.Stderr), progressbar.OptionSetWriter(os.Stderr),
progressbar.OptionSetWidth(15), progressbar.OptionSetWidth(15),
progressbar.OptionShowIts(), progressbar.OptionShowIts(),
progressbar.OptionSetPredictTime(true), progressbar.OptionSetPredictTime(true),
progressbar.OptionSetDescription("[Adds multiple errors]"), progressbar.OptionSetDescription("[One error graph]"),
) )
bar = progressbar.NewOptions(npairs, pbopt...) bar = progressbar.NewOptions(npairs, pbopt...)
}
for _, seqs := range samples { for _, seqs := range samples {
np := extendSimilarityGraph(seqs, maxError, workers) np := buildSamplePairs(seqs, workers)
if bar != nil {
bar.Add(np) bar.Add(np)
} }
} }
if maxError > 1 {
if obidefault.ProgressBar() {
pbopt := make([]progressbar.Option, 0, 5)
pbopt = append(pbopt,
progressbar.OptionSetWriter(os.Stderr),
progressbar.OptionSetWidth(15),
progressbar.OptionShowIts(),
progressbar.OptionSetPredictTime(true),
progressbar.OptionSetDescription("[Adds multiple errors]"),
)
bar = progressbar.NewOptions(npairs, pbopt...)
}
for _, seqs := range samples {
np := extendSimilarityGraph(seqs, maxError, workers)
if bar != nil {
bar.Add(np)
}
}
}
} }

View File

@@ -31,7 +31,6 @@ var __output_in_json__ = false
var __output_fastjson_format__ = false var __output_fastjson_format__ = false
var __output_fastobi_format__ = false var __output_fastobi_format__ = false
var __no_progress_bar__ = false
var __skip_empty__ = false var __skip_empty__ = false
var __skip_on_error__ = false var __skip_on_error__ = false
@@ -82,7 +81,7 @@ func InputOptionSet(options *getoptions.GetOpt) {
} }
func OutputModeOptionSet(options *getoptions.GetOpt, compressed bool) { func OutputModeOptionSet(options *getoptions.GetOpt, compressed bool) {
options.BoolVar(&__no_progress_bar__, "no-progressbar", false, options.BoolVar(obidefault.NoProgressBarPtr(), "no-progressbar", obidefault.NoProgressBar(),
options.Description("Disable the progress bar printing")) options.Description("Disable the progress bar printing"))
if compressed { if compressed {
@@ -224,13 +223,16 @@ func CLIAnalyzeOnly() int {
func CLIProgressBar() bool { func CLIProgressBar() bool {
// If the output is not a terminal, then we do not display the progress bar // If the output is not a terminal, then we do not display the progress bar
o, _ := os.Stderr.Stat() oe, _ := os.Stderr.Stat()
onTerminal := (o.Mode() & os.ModeCharDevice) == os.ModeCharDevice onTerminal := (oe.Mode() & os.ModeCharDevice) == os.ModeCharDevice
if !onTerminal { if !onTerminal {
log.Info("Stderr is redirected, progress bar disabled") log.Info("Stderr is redirected, progress bar disabled")
} }
return onTerminal && !__no_progress_bar__ oo, _ := os.Stdout.Stat()
toPipe := (oo.Mode() & os.ModeNamedPipe) == os.ModeNamedPipe
return onTerminal && !toPipe && obidefault.ProgressBar()
} }
func CLIOutPutFileName() string { func CLIOutPutFileName() string {

View File

@@ -68,6 +68,8 @@ func ExpandListOfFiles(check_ext bool, filenames ...string) ([]string, error) {
strings.HasSuffix(path, "seq.gz") || strings.HasSuffix(path, "seq.gz") ||
strings.HasSuffix(path, "gb") || strings.HasSuffix(path, "gb") ||
strings.HasSuffix(path, "gb.gz") || strings.HasSuffix(path, "gb.gz") ||
strings.HasSuffix(path, "gbff") ||
strings.HasSuffix(path, "gbff.gz") ||
strings.HasSuffix(path, "dat") || strings.HasSuffix(path, "dat") ||
strings.HasSuffix(path, "dat.gz") || strings.HasSuffix(path, "dat.gz") ||
strings.HasSuffix(path, "ecopcr") || strings.HasSuffix(path, "ecopcr") ||
@@ -204,15 +206,15 @@ func CLIReadBioSequences(filenames ...string) (obiiter.IBioSequence, error) {
iterator = iterator.PairTo(ip) iterator = iterator.PairTo(ip)
} }
} else { } else {
iterator = obiiter.NilIBioSequence return obiiter.NilIBioSequence, fmt.Errorf("no sequence files found in the provided paths")
} }
} }
} }
if CLIProgressBar() { iterator = iterator.Speed("Reading sequences")
iterator = iterator.Speed("Reading sequences")
} iterator = iterator.RebatchBySize(obidefault.BatchMem(), obidefault.BatchSizeMax())
return iterator, nil return iterator, nil
} }

View File

@@ -12,9 +12,7 @@ import (
func CLIWriteSequenceCSV(iterator obiiter.IBioSequence, func CLIWriteSequenceCSV(iterator obiiter.IBioSequence,
terminalAction bool, filenames ...string) *obiitercsv.ICSVRecord { terminalAction bool, filenames ...string) *obiitercsv.ICSVRecord {
if obiconvert.CLIProgressBar() { iterator = iterator.Speed("Writing CSV")
iterator = iterator.Speed("Writing CSV")
}
opts := make([]WithOption, 0, 10) opts := make([]WithOption, 0, 10)

55
pkg/obitools/obik/cp.go Normal file
View File

@@ -0,0 +1,55 @@
package obik
import (
"context"
"fmt"
log "github.com/sirupsen/logrus"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obikmer"
"github.com/DavidGamba/go-getoptions"
)
func runCp(ctx context.Context, opt *getoptions.GetOpt, args []string) error {
if len(args) < 2 {
return fmt.Errorf("usage: obik cp [--set PATTERN]... [--force] <source_index> <dest_index>")
}
srcDir := args[0]
destDir := args[1]
ksg, err := obikmer.OpenKmerSetGroup(srcDir)
if err != nil {
return fmt.Errorf("failed to open source kmer index: %w", err)
}
// Resolve set patterns
patterns := CLISetPatterns()
var ids []string
if len(patterns) > 0 {
indices, err := ksg.MatchSetIDs(patterns)
if err != nil {
return err
}
if len(indices) == 0 {
return fmt.Errorf("no sets match the given patterns")
}
ids = make([]string, len(indices))
for i, idx := range indices {
ids[i] = ksg.SetIDOf(idx)
}
} else {
// Copy all sets
ids = ksg.SetsIDs()
}
log.Infof("Copying %d set(s) from %s to %s", len(ids), srcDir, destDir)
dest, err := ksg.CopySetsByIDTo(ids, destDir, CLIForce())
if err != nil {
return err
}
log.Infof("Destination now has %d set(s)", dest.Size())
return nil
}

344
pkg/obitools/obik/filter.go Normal file
View File

@@ -0,0 +1,344 @@
package obik
import (
"context"
"fmt"
"os"
"path/filepath"
"strings"
"sync"
"sync/atomic"
"github.com/schollz/progressbar/v3"
log "github.com/sirupsen/logrus"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidefault"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obikmer"
"github.com/DavidGamba/go-getoptions"
)
// KmerFilter is a predicate applied to individual k-mers during filtering.
// Returns true if the k-mer should be kept.
type KmerFilter func(kmer uint64) bool
// KmerFilterFactory creates a new KmerFilter instance.
// Each goroutine should call the factory to get its own filter,
// since some filters (e.g. KmerEntropyFilter) are not thread-safe.
type KmerFilterFactory func() KmerFilter
// chainFilterFactories combines multiple KmerFilterFactory into one.
// The resulting factory creates a filter that accepts a k-mer only
// if all individual filters accept it.
func chainFilterFactories(factories []KmerFilterFactory) KmerFilterFactory {
switch len(factories) {
case 0:
return func() KmerFilter { return func(uint64) bool { return true } }
case 1:
return factories[0]
default:
return func() KmerFilter {
filters := make([]KmerFilter, len(factories))
for i, f := range factories {
filters[i] = f()
}
return func(kmer uint64) bool {
for _, f := range filters {
if !f(kmer) {
return false
}
}
return true
}
}
}
}
// runFilter implements the "obik filter" subcommand.
// It reads an existing kmer index, applies a chain of filters,
// and writes a new filtered index.
func runFilter(ctx context.Context, opt *getoptions.GetOpt, args []string) error {
if len(args) < 1 {
return fmt.Errorf("usage: obik filter [options] <source_index> --out <dest_index>")
}
srcDir := args[0]
destDir := CLIOutputDirectory()
if destDir == "" || destDir == "-" {
return fmt.Errorf("--out option is required and must specify a destination directory")
}
// Open source index
src, err := obikmer.OpenKmerSetGroup(srcDir)
if err != nil {
return fmt.Errorf("failed to open source index: %w", err)
}
k := src.K()
// Build filter factory chain from CLI options.
// Factories are used so each goroutine creates its own filter instance,
// since some filters (e.g. KmerEntropyFilter) have mutable state.
var factories []KmerFilterFactory
var filterDescriptions []string
// Entropy filter
entropyThreshold := CLIIndexEntropyThreshold()
entropySize := CLIIndexEntropySize()
if entropyThreshold > 0 {
factories = append(factories, func() KmerFilter {
ef := obikmer.NewKmerEntropyFilter(k, entropySize, entropyThreshold)
return ef.Accept
})
filterDescriptions = append(filterDescriptions,
fmt.Sprintf("entropy(threshold=%.4f, level-max=%d)", entropyThreshold, entropySize))
}
// Future filters will be added here, e.g.:
// quorumFilter, frequencyFilter, ...
if len(factories) == 0 {
return fmt.Errorf("no filter specified; use --entropy-filter or other filter options")
}
filterFactory := chainFilterFactories(factories)
// Resolve set selection (default: all sets)
patterns := CLISetPatterns()
var setIndices []int
if len(patterns) > 0 {
setIndices, err = src.MatchSetIDs(patterns)
if err != nil {
return fmt.Errorf("failed to match set patterns: %w", err)
}
if len(setIndices) == 0 {
return fmt.Errorf("no sets match the given patterns")
}
} else {
setIndices = make([]int, src.Size())
for i := range setIndices {
setIndices[i] = i
}
}
log.Infof("Filtering %d set(s) from %s with: %s",
len(setIndices), srcDir, strings.Join(filterDescriptions, " + "))
// Create destination directory
if err := os.MkdirAll(destDir, 0755); err != nil {
return fmt.Errorf("failed to create destination: %w", err)
}
P := src.Partitions()
// Progress bar for partition filtering
totalPartitions := len(setIndices) * P
var bar *progressbar.ProgressBar
if obidefault.ProgressBar() {
pbopt := []progressbar.Option{
progressbar.OptionSetWriter(os.Stderr),
progressbar.OptionSetWidth(15),
progressbar.OptionShowCount(),
progressbar.OptionShowIts(),
progressbar.OptionSetPredictTime(true),
progressbar.OptionSetDescription("[Filtering partitions]"),
}
bar = progressbar.NewOptions(totalPartitions, pbopt...)
}
// Process each selected set
newCounts := make([]uint64, len(setIndices))
for si, srcIdx := range setIndices {
setID := src.SetIDOf(srcIdx)
if setID == "" {
setID = fmt.Sprintf("set_%d", srcIdx)
}
destSetDir := filepath.Join(destDir, fmt.Sprintf("set_%d", si))
if err := os.MkdirAll(destSetDir, 0755); err != nil {
return fmt.Errorf("failed to create set directory: %w", err)
}
// Process partitions in parallel
nWorkers := obidefault.ParallelWorkers()
if nWorkers > P {
nWorkers = P
}
var totalKept atomic.Uint64
var totalProcessed atomic.Uint64
type job struct {
partIdx int
}
jobs := make(chan job, P)
var wg sync.WaitGroup
var errMu sync.Mutex
var firstErr error
for w := 0; w < nWorkers; w++ {
wg.Add(1)
go func() {
defer wg.Done()
// Each goroutine gets its own filter instance
workerFilter := filterFactory()
for j := range jobs {
kept, processed, err := filterPartition(
src.PartitionPath(srcIdx, j.partIdx),
filepath.Join(destSetDir, fmt.Sprintf("part_%04d.kdi", j.partIdx)),
workerFilter,
)
if err != nil {
errMu.Lock()
if firstErr == nil {
firstErr = err
}
errMu.Unlock()
return
}
totalKept.Add(kept)
totalProcessed.Add(processed)
if bar != nil {
bar.Add(1)
}
}
}()
}
for p := 0; p < P; p++ {
jobs <- job{p}
}
close(jobs)
wg.Wait()
if firstErr != nil {
return fmt.Errorf("failed to filter set %q: %w", setID, firstErr)
}
kept := totalKept.Load()
processed := totalProcessed.Load()
newCounts[si] = kept
log.Infof("Set %q: %d/%d k-mers kept (%.1f%% removed)",
setID, kept, processed,
100.0*float64(processed-kept)/float64(max(processed, 1)))
// Copy spectrum.bin if it exists
srcSpecPath := src.SpectrumPath(srcIdx)
if _, err := os.Stat(srcSpecPath); err == nil {
destSpecPath := filepath.Join(destSetDir, "spectrum.bin")
if err := copyFileHelper(srcSpecPath, destSpecPath); err != nil {
log.Warnf("Could not copy spectrum for set %q: %v", setID, err)
}
}
}
if bar != nil {
fmt.Fprintln(os.Stderr)
}
// Build destination metadata
setsIDs := make([]string, len(setIndices))
setsMetadata := make([]map[string]interface{}, len(setIndices))
for i, srcIdx := range setIndices {
setsIDs[i] = src.SetIDOf(srcIdx)
setsMetadata[i] = src.AllSetMetadata(srcIdx)
if setsMetadata[i] == nil {
setsMetadata[i] = make(map[string]interface{})
}
}
// Write metadata for the filtered index
dest, err := obikmer.NewFilteredKmerSetGroup(
destDir, k, src.M(), P,
len(setIndices), setsIDs, newCounts, setsMetadata,
)
if err != nil {
return fmt.Errorf("failed to create filtered metadata: %w", err)
}
// Copy group-level metadata and record applied filters
for key, value := range src.Metadata {
dest.SetAttribute(key, value)
}
if entropyThreshold > 0 {
dest.SetAttribute("entropy_filter", entropyThreshold)
dest.SetAttribute("entropy_filter_size", entropySize)
}
dest.SetAttribute("filtered_from", srcDir)
if err := dest.SaveMetadata(); err != nil {
return fmt.Errorf("failed to save metadata: %w", err)
}
log.Info("Done.")
return nil
}
// filterPartition reads a single .kdi partition, applies the filter predicate,
// and writes the accepted k-mers to a new .kdi file.
// Returns (kept, processed, error).
func filterPartition(srcPath, destPath string, accept KmerFilter) (uint64, uint64, error) {
reader, err := obikmer.NewKdiReader(srcPath)
if err != nil {
// Empty partition — write empty KDI
w, err2 := obikmer.NewKdiWriter(destPath)
if err2 != nil {
return 0, 0, err2
}
return 0, 0, w.Close()
}
defer reader.Close()
w, err := obikmer.NewKdiWriter(destPath)
if err != nil {
return 0, 0, err
}
var kept, processed uint64
for {
kmer, ok := reader.Next()
if !ok {
break
}
processed++
if accept(kmer) {
if err := w.Write(kmer); err != nil {
w.Close()
return 0, 0, err
}
kept++
}
}
return kept, processed, w.Close()
}
// copyFileHelper copies a file (used for spectrum.bin etc.)
func copyFileHelper(src, dst string) error {
in, err := os.Open(src)
if err != nil {
return err
}
defer in.Close()
out, err := os.Create(dst)
if err != nil {
return err
}
defer out.Close()
buf := make([]byte, 32*1024)
for {
n, readErr := in.Read(buf)
if n > 0 {
if _, writeErr := out.Write(buf[:n]); writeErr != nil {
return writeErr
}
}
if readErr != nil {
break
}
}
return out.Close()
}

154
pkg/obitools/obik/index.go Normal file
View File

@@ -0,0 +1,154 @@
package obik
import (
"context"
"fmt"
"os"
"path/filepath"
"sync"
"sync/atomic"
log "github.com/sirupsen/logrus"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidefault"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiiter"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obikmer"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/obiconvert"
"github.com/DavidGamba/go-getoptions"
)
func runIndex(ctx context.Context, opt *getoptions.GetOpt, args []string) error {
outDir := CLIOutputDirectory()
if outDir == "" || outDir == "-" {
return fmt.Errorf("--out option is required and must specify a directory path")
}
k := CLIKmerSize()
if k < 2 || k > 31 {
return fmt.Errorf("invalid k-mer size: %d (must be between 2 and 31)", k)
}
m := CLIMinimizerSize()
minOcc := CLIMinOccurrence()
if minOcc < 1 {
return fmt.Errorf("invalid min-occurrence: %d (must be >= 1)", minOcc)
}
maxOcc := CLIMaxOccurrence()
entropyThreshold := CLIIndexEntropyThreshold()
entropySize := CLIIndexEntropySize()
// Build options
var opts []obikmer.BuilderOption
if minOcc > 1 {
opts = append(opts, obikmer.WithMinFrequency(minOcc))
}
if maxOcc > 0 {
opts = append(opts, obikmer.WithMaxFrequency(maxOcc))
}
if topN := CLISaveFreqKmer(); topN > 0 {
opts = append(opts, obikmer.WithSaveFreqKmers(topN))
}
if entropyThreshold > 0 {
opts = append(opts, obikmer.WithEntropyFilter(entropyThreshold, entropySize))
}
// Determine whether to append to existing group or create new
var builder *obikmer.KmerSetGroupBuilder
var err error
metaPath := filepath.Join(outDir, "metadata.toml")
if _, statErr := os.Stat(metaPath); statErr == nil {
// Existing group: append
log.Infof("Appending to existing kmer index at %s", outDir)
builder, err = obikmer.AppendKmerSetGroupBuilder(outDir, 1, opts...)
if err != nil {
return fmt.Errorf("failed to open existing kmer index for appending: %w", err)
}
} else {
// New group
if maxOcc > 0 {
log.Infof("Creating new kmer index: k=%d, m=%d, occurrence=[%d,%d]", k, m, minOcc, maxOcc)
} else {
log.Infof("Creating new kmer index: k=%d, m=%d, min-occurrence=%d", k, m, minOcc)
}
builder, err = obikmer.NewKmerSetGroupBuilder(outDir, k, m, 1, -1, opts...)
if err != nil {
return fmt.Errorf("failed to create kmer index builder: %w", err)
}
}
// Read and process sequences in parallel
sequences, err := obiconvert.CLIReadBioSequences(args...)
if err != nil {
return fmt.Errorf("failed to open sequence files: %w", err)
}
nworkers := obidefault.ParallelWorkers()
var seqCount atomic.Int64
var wg sync.WaitGroup
consumer := func(iter obiiter.IBioSequence) {
defer wg.Done()
for iter.Next() {
batch := iter.Get()
for _, seq := range batch.Slice() {
builder.AddSequence(0, seq)
seqCount.Add(1)
}
}
}
for i := 1; i < nworkers; i++ {
wg.Add(1)
go consumer(sequences.Split())
}
wg.Add(1)
go consumer(sequences)
wg.Wait()
log.Infof("Processed %d sequences", seqCount.Load())
// Finalize
ksg, err := builder.Close()
if err != nil {
return fmt.Errorf("failed to finalize kmer index: %w", err)
}
// Apply index-id to the new set
newSetIdx := builder.StartIndex()
if id := CLIIndexId(); id != "" {
ksg.SetSetID(newSetIdx, id)
}
// Apply group-level tags (-S)
for key, value := range CLISetTag() {
ksg.SetAttribute(key, value)
}
// Apply per-set tags (-T) to the new set
for key, value := range _setMetaTags {
ksg.SetSetMetadata(newSetIdx, key, value)
}
if minOcc > 1 {
ksg.SetAttribute("min_occurrence", minOcc)
}
if maxOcc > 0 {
ksg.SetAttribute("max_occurrence", maxOcc)
}
if entropyThreshold > 0 {
ksg.SetAttribute("entropy_filter", entropyThreshold)
ksg.SetAttribute("entropy_filter_size", entropySize)
}
if err := ksg.SaveMetadata(); err != nil {
return fmt.Errorf("failed to save metadata: %w", err)
}
log.Infof("Index contains %d k-mers for set %d in %s", ksg.Len(newSetIdx), newSetIdx, outDir)
log.Info("Done.")
return nil
}

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@@ -0,0 +1,419 @@
package obik
import (
"context"
"fmt"
"math"
log "github.com/sirupsen/logrus"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidefault"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obikmer"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/obiconvert"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiutils"
"github.com/DavidGamba/go-getoptions"
)
// lowMaskWorker creates a worker to mask low-complexity regions in DNA sequences.
func lowMaskWorker(kmer_size int, level_max int, threshold float64, mode MaskingMode, maskChar byte, keepShorter bool) obiseq.SeqWorker {
nLogN := make([]float64, kmer_size+1)
for i := 1; i <= kmer_size; i++ {
nLogN[i] = float64(i) * math.Log(float64(i))
}
normTables := make([][]int, level_max+1)
for ws := 1; ws <= level_max; ws++ {
size := 1 << (ws * 2)
normTables[ws] = make([]int, size)
for code := 0; code < size; code++ {
normTables[ws][code] = int(obikmer.NormalizeCircular(uint64(code), ws))
}
}
type pair struct {
index int
value float64
}
slidingMin := func(data []float64, window int) {
if len(data) == 0 || window <= 0 {
return
}
if window >= len(data) {
minVal := data[0]
for i := 1; i < len(data); i++ {
if data[i] < minVal {
minVal = data[i]
}
}
for i := range data {
data[i] = minVal
}
return
}
deque := make([]pair, 0, window)
for i, v := range data {
for len(deque) > 0 && deque[0].index <= i-window {
deque = deque[1:]
}
for len(deque) > 0 && deque[len(deque)-1].value >= v {
deque = deque[:len(deque)-1]
}
deque = append(deque, pair{index: i, value: v})
data[i] = deque[0].value
}
}
emaxValues := make([]float64, level_max+1)
logNwords := make([]float64, level_max+1)
for ws := 1; ws <= level_max; ws++ {
nw := kmer_size - ws + 1
na := obikmer.CanonicalCircularKmerCount(ws)
if nw < na {
logNwords[ws] = math.Log(float64(nw))
emaxValues[ws] = math.Log(float64(nw))
} else {
cov := nw / na
remains := nw - (na * cov)
f1 := float64(cov) / float64(nw)
f2 := float64(cov+1) / float64(nw)
logNwords[ws] = math.Log(float64(nw))
emaxValues[ws] = -(float64(na-remains)*f1*math.Log(f1) +
float64(remains)*f2*math.Log(f2))
}
}
maskAmbiguities := func(sequence []byte) []int {
maskPositions := make([]int, len(sequence))
for i, nuc := range sequence {
if nuc != 'a' && nuc != 'c' && nuc != 'g' && nuc != 't' {
end := max(0, i-kmer_size+1)
for j := i; j >= end; j-- {
maskPositions[j] = -1
}
}
}
return maskPositions
}
cleanTable := func(table []int, over int) {
for i := 0; i < over; i++ {
table[i] = 0
}
}
computeEntropies := func(sequence []byte,
maskPositions []int,
entropies []float64,
table []int,
words []int,
wordSize int,
normTable []int) {
lseq := len(sequence)
tableSize := 1 << (wordSize * 2)
nwords := kmer_size - wordSize + 1
float_nwords := float64(nwords)
log_nwords := logNwords[wordSize]
entropyMax := emaxValues[wordSize]
cleanTable(table, tableSize)
for i := 1; i < lseq; i++ {
entropies[i] = 6
}
end := lseq - wordSize + 1
mask := (1 << (wordSize * 2)) - 1
word_index := 0
for i := 0; i < wordSize-1; i++ {
word_index = (word_index << 2) + int(obikmer.EncodeNucleotide(sequence[i]))
}
for i, j := 0, wordSize-1; i < end; i, j = i+1, j+1 {
word_index = ((word_index << 2) & mask) + int(obikmer.EncodeNucleotide(sequence[j]))
words[i] = normTable[word_index]
}
s := 0
sum_n_logn := 0.0
entropy := 1.0
cleaned := true
for i := range end {
s++
switch {
case s < nwords:
cleaned = false
table[words[i]]++
case i >= (nwords-1) && maskPositions[i-nwords+1] < 0:
entropies[i-nwords+1] = 4.0
if !cleaned {
cleanTable(table, tableSize)
}
cleaned = true
s = 0
sum_n_logn = 0.0
case s == nwords:
cleaned = false
table[words[i]]++
sum_n_logn = 0
for j := range tableSize {
n := float64(table[j])
if n > 0 {
sum_n_logn += nLogN[int(n)]
}
}
entropy = (log_nwords - sum_n_logn/float_nwords) / entropyMax
case s > nwords:
cleaned = false
new_word := words[i]
old_word := words[i-nwords]
if old_word != new_word {
table[new_word]++
table[old_word]--
n_old := float64(table[old_word])
n_new := float64(table[new_word])
sum_n_logn -= nLogN[int(n_old+1)]
if n_old > 0 {
sum_n_logn += nLogN[int(n_old)]
}
if n_new > 0 {
sum_n_logn += nLogN[int(n_new)]
}
if n_new > 1 {
sum_n_logn -= nLogN[int(n_new-1)]
}
}
entropy = (log_nwords - sum_n_logn/float_nwords) / entropyMax
}
if s >= nwords && maskPositions[i-nwords+1] >= 0 {
if entropy < 0 {
entropy = 0
}
entropy = math.Round(entropy*10000) / 10000
entropies[i-nwords+1] = entropy
}
}
slidingMin(entropies, kmer_size)
}
applyMaskMode := func(sequence *obiseq.BioSequence, maskPositions []bool, mask byte) (obiseq.BioSequenceSlice, error) {
seqCopy := sequence.Copy()
sequenceBytes := seqCopy.Sequence()
for i := range sequenceBytes {
if maskPositions[i] {
sequenceBytes[i] = mask
}
}
return obiseq.BioSequenceSlice{seqCopy}, nil
}
selectMasked := func(sequence *obiseq.BioSequence, maskPosition []bool) (obiseq.BioSequenceSlice, error) {
rep := obiseq.NewBioSequenceSlice()
inlow := false
fromlow := -1
for i, masked := range maskPosition {
if masked && !inlow {
fromlow = i
inlow = true
}
if inlow && !masked {
if fromlow >= 0 {
frgLen := i - fromlow
if keepShorter || frgLen >= kmer_size {
frg, err := sequence.Subsequence(fromlow, i, false)
if err != nil {
return nil, err
}
rep.Push(frg)
}
}
inlow = false
fromlow = -1
}
}
if inlow && fromlow >= 0 {
frgLen := len(maskPosition) - fromlow
if keepShorter || frgLen >= kmer_size {
frg, err := sequence.Subsequence(fromlow, len(maskPosition), false)
if err != nil {
return nil, err
}
rep.Push(frg)
}
}
return *rep, nil
}
selectunmasked := func(sequence *obiseq.BioSequence, maskPosition []bool) (obiseq.BioSequenceSlice, error) {
rep := obiseq.NewBioSequenceSlice()
inhigh := false
fromhigh := -1
for i, masked := range maskPosition {
if !masked && !inhigh {
fromhigh = i
inhigh = true
}
if inhigh && masked {
if fromhigh >= 0 {
frgLen := i - fromhigh
if keepShorter || frgLen >= kmer_size {
frg, err := sequence.Subsequence(fromhigh, i, false)
if err != nil {
return nil, err
}
rep.Push(frg)
}
}
inhigh = false
fromhigh = -1
}
}
if inhigh && fromhigh >= 0 {
frgLen := len(maskPosition) - fromhigh
if keepShorter || frgLen >= kmer_size {
frg, err := sequence.Subsequence(fromhigh, len(maskPosition), false)
if err != nil {
return nil, err
}
rep.Push(frg)
}
}
return *rep, nil
}
masking := func(sequence *obiseq.BioSequence) (obiseq.BioSequenceSlice, error) {
if sequence.Len() < kmer_size {
sequence.SetAttribute("obilowmask_error", "Sequence too short")
remove := make([]bool, sequence.Len())
for i := range remove {
remove[i] = true
}
switch mode {
case MaskMode:
return applyMaskMode(sequence, remove, maskChar)
case SplitMode:
return selectunmasked(sequence, remove)
case ExtractMode:
return selectMasked(sequence, remove)
}
return nil, fmt.Errorf("unknown mode %d", mode)
}
bseq := sequence.Sequence()
maskPositions := maskAmbiguities(bseq)
maskFlags := make([]int, len(bseq))
entropies := make([]float64, len(bseq))
for i := range entropies {
entropies[i] = 4.0
}
freqs := make([]int, 1<<(2*level_max))
words := make([]int, len(bseq))
entropies2 := make([]float64, len(bseq))
computeEntropies(bseq, maskPositions, entropies, freqs, words, level_max, normTables[level_max])
for i := range bseq {
v := level_max
maskFlags[i] = v
}
for ws := level_max - 1; ws > 0; ws-- {
computeEntropies(bseq, maskPositions, entropies2, freqs, words, ws, normTables[ws])
for i, e2 := range entropies2 {
if e2 < entropies[i] {
entropies[i] = e2
maskFlags[i] = ws
}
}
}
for i, nuc := range bseq {
if nuc != 'a' && nuc != 'c' && nuc != 'g' && nuc != 't' {
entropies[i] = 0
}
}
remove := make([]bool, len(entropies))
for i, e := range entropies {
remove[i] = e <= threshold
}
sequence.SetAttribute("mask", maskFlags)
sequence.SetAttribute("Entropies", entropies)
switch mode {
case MaskMode:
return applyMaskMode(sequence, remove, maskChar)
case SplitMode:
return selectunmasked(sequence, remove)
case ExtractMode:
return selectMasked(sequence, remove)
}
return nil, fmt.Errorf("unknown mode %d", mode)
}
return masking
}
// runLowmask implements the "obik lowmask" subcommand.
// It masks low-complexity regions in DNA sequences using entropy-based detection.
func runLowmask(ctx context.Context, opt *getoptions.GetOpt, args []string) error {
kmerSize := CLIKmerSize()
levelMax := CLIEntropySize()
threshold := CLIEntropyThreshold()
mode := CLIMaskingMode()
maskChar := CLIMaskingChar()
log.Printf("Low-complexity masking: kmer-size=%d, entropy-size=%d, threshold=%.4f", kmerSize, levelMax, threshold)
sequences, err := obiconvert.CLIReadBioSequences(args...)
if err != nil {
return fmt.Errorf("failed to open sequence files: %w", err)
}
worker := lowMaskWorker(kmerSize, levelMax, threshold, mode, maskChar, CLIKeepShorter())
masked := sequences.MakeIWorker(
worker,
false,
obidefault.ParallelWorkers(),
).FilterEmpty()
obiconvert.CLIWriteBioSequences(masked, true)
obiutils.WaitForLastPipe()
return nil
}

96
pkg/obitools/obik/ls.go Normal file
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package obik
import (
"context"
"encoding/json"
"fmt"
"strings"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obikmer"
"github.com/DavidGamba/go-getoptions"
"gopkg.in/yaml.v3"
)
type setEntry struct {
Index int `json:"index" yaml:"index"`
ID string `json:"id" yaml:"id"`
Count uint64 `json:"count" yaml:"count"`
}
func runLs(ctx context.Context, opt *getoptions.GetOpt, args []string) error {
if len(args) < 1 {
return fmt.Errorf("usage: obik ls [options] <index_directory>")
}
ksg, err := obikmer.OpenKmerSetGroup(args[0])
if err != nil {
return fmt.Errorf("failed to open kmer index: %w", err)
}
// Determine which sets to show
patterns := CLISetPatterns()
var indices []int
if len(patterns) > 0 {
indices, err = ksg.MatchSetIDs(patterns)
if err != nil {
return err
}
} else {
indices = make([]int, ksg.Size())
for i := range indices {
indices[i] = i
}
}
entries := make([]setEntry, len(indices))
for i, idx := range indices {
entries[i] = setEntry{
Index: idx,
ID: ksg.SetIDOf(idx),
Count: ksg.Len(idx),
}
}
format := CLIOutFormat()
switch format {
case "json":
return outputLsJSON(entries)
case "yaml":
return outputLsYAML(entries)
case "csv":
return outputLsCSV(entries)
default:
return outputLsCSV(entries)
}
}
func outputLsCSV(entries []setEntry) error {
fmt.Println("index,id,count")
for _, e := range entries {
// Escape commas in ID if needed
id := e.ID
if strings.ContainsAny(id, ",\"") {
id = "\"" + strings.ReplaceAll(id, "\"", "\"\"") + "\""
}
fmt.Printf("%d,%s,%d\n", e.Index, id, e.Count)
}
return nil
}
func outputLsJSON(entries []setEntry) error {
data, err := json.MarshalIndent(entries, "", " ")
if err != nil {
return err
}
fmt.Println(string(data))
return nil
}
func outputLsYAML(entries []setEntry) error {
data, err := yaml.Marshal(entries)
if err != nil {
return err
}
fmt.Print(string(data))
return nil
}

221
pkg/obitools/obik/match.go Normal file
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package obik
import (
"context"
"fmt"
"sync"
log "github.com/sirupsen/logrus"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidefault"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiiter"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obikmer"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiseq"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/obiconvert"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiutils"
"github.com/DavidGamba/go-getoptions"
)
// defaultMatchQueryThreshold is the minimum number of k-mer entries to
// accumulate before launching a MatchBatch. Larger values amortize the
// cost of opening .kdi files across more query k-mers.
const defaultMatchQueryThreshold = 10_000_000
// preparedBatch pairs a batch with its pre-computed queries.
type preparedBatch struct {
batch obiiter.BioSequenceBatch
seqs []*obiseq.BioSequence
queries *obikmer.PreparedQueries
}
// accumulatedWork holds multiple prepared batches whose queries have been
// merged into a single PreparedQueries. The flat seqs slice allows
// MatchBatch results (indexed by merged SeqIdx) to be mapped back to
// the original sequences.
type accumulatedWork struct {
batches []obiiter.BioSequenceBatch // original batches in order
seqs []*obiseq.BioSequence // flat: seqs from all batches concatenated
queries *obikmer.PreparedQueries // merged queries with rebased SeqIdx
}
// runMatch implements the "obik match" subcommand.
//
// Pipeline architecture (no shared mutable state between stages):
//
// [input batches]
// │ Split across nCPU goroutines
// ▼
// PrepareQueries (CPU, parallel)
// │ preparedCh
// ▼
// Accumulate & MergeQueries (1 goroutine)
// │ matchCh — fires when totalKmers >= threshold
// ▼
// MatchBatch + annotate (1 goroutine, internal parallelism per partition)
// │
// ▼
// [output batches]
func runMatch(ctx context.Context, opt *getoptions.GetOpt, args []string) error {
indexDir := CLIIndexDirectory()
// Open the k-mer index
ksg, err := obikmer.OpenKmerSetGroup(indexDir)
if err != nil {
return fmt.Errorf("failed to open kmer index: %w", err)
}
log.Infof("Opened index: k=%d, m=%d, %d partitions, %d set(s)",
ksg.K(), ksg.M(), ksg.Partitions(), ksg.Size())
// Resolve which sets to match against
patterns := CLISetPatterns()
var setIndices []int
if len(patterns) > 0 {
setIndices, err = ksg.MatchSetIDs(patterns)
if err != nil {
return fmt.Errorf("failed to match set patterns: %w", err)
}
if len(setIndices) == 0 {
return fmt.Errorf("no sets match the given patterns")
}
} else {
setIndices = make([]int, ksg.Size())
for i := range setIndices {
setIndices[i] = i
}
}
for _, idx := range setIndices {
id := ksg.SetIDOf(idx)
if id == "" {
id = fmt.Sprintf("set_%d", idx)
}
log.Infof("Matching against set %d (%s): %d k-mers", idx, id, ksg.Len(idx))
}
// Read input sequences
sequences, err := obiconvert.CLIReadBioSequences(args...)
if err != nil {
return fmt.Errorf("failed to open sequence files: %w", err)
}
nworkers := obidefault.ParallelWorkers()
// --- Stage 1: Prepare queries in parallel ---
preparedCh := make(chan preparedBatch, nworkers)
var prepWg sync.WaitGroup
preparer := func(iter obiiter.IBioSequence) {
defer prepWg.Done()
for iter.Next() {
batch := iter.Get()
slice := batch.Slice()
seqs := make([]*obiseq.BioSequence, len(slice))
for i, s := range slice {
seqs[i] = s
}
pq := ksg.PrepareQueries(seqs)
preparedCh <- preparedBatch{
batch: batch,
seqs: seqs,
queries: pq,
}
}
}
for i := 1; i < nworkers; i++ {
prepWg.Add(1)
go preparer(sequences.Split())
}
prepWg.Add(1)
go preparer(sequences)
go func() {
prepWg.Wait()
close(preparedCh)
}()
// --- Stage 2: Accumulate & merge queries ---
matchCh := make(chan *accumulatedWork, 2)
go func() {
defer close(matchCh)
var acc *accumulatedWork
for pb := range preparedCh {
if acc == nil {
acc = &accumulatedWork{
batches: []obiiter.BioSequenceBatch{pb.batch},
seqs: pb.seqs,
queries: pb.queries,
}
} else {
// Merge this batch's queries into the accumulator
obikmer.MergeQueries(acc.queries, pb.queries)
acc.batches = append(acc.batches, pb.batch)
acc.seqs = append(acc.seqs, pb.seqs...)
}
// Flush when we exceed the threshold
if acc.queries.NKmers >= defaultMatchQueryThreshold {
matchCh <- acc
acc = nil
}
}
// Flush remaining
if acc != nil {
matchCh <- acc
}
}()
// --- Stage 3: Match & annotate ---
output := obiiter.MakeIBioSequence()
if sequences.IsPaired() {
output.MarkAsPaired()
}
output.Add(1)
go func() {
defer output.Done()
for work := range matchCh {
// Match against each selected set
for _, setIdx := range setIndices {
result := ksg.MatchBatch(setIdx, work.queries)
setID := ksg.SetIDOf(setIdx)
if setID == "" {
setID = fmt.Sprintf("set_%d", setIdx)
}
attrName := "kmer_matched_" + setID
for seqIdx, positions := range result {
if len(positions) > 0 {
work.seqs[seqIdx].SetAttribute(attrName, positions)
}
}
}
// Push annotated batches to output
for _, b := range work.batches {
output.Push(b)
}
// Help GC
work.seqs = nil
work.queries = nil
}
}()
go output.WaitAndClose()
obiconvert.CLIWriteBioSequences(output, true)
obiutils.WaitForLastPipe()
return nil
}

63
pkg/obitools/obik/mv.go Normal file
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@@ -0,0 +1,63 @@
package obik
import (
"context"
"fmt"
log "github.com/sirupsen/logrus"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obikmer"
"github.com/DavidGamba/go-getoptions"
)
func runMv(ctx context.Context, opt *getoptions.GetOpt, args []string) error {
if len(args) < 2 {
return fmt.Errorf("usage: obik mv [--set PATTERN]... [--force] <source_index> <dest_index>")
}
srcDir := args[0]
destDir := args[1]
ksg, err := obikmer.OpenKmerSetGroup(srcDir)
if err != nil {
return fmt.Errorf("failed to open source kmer index: %w", err)
}
// Resolve set patterns
patterns := CLISetPatterns()
var ids []string
if len(patterns) > 0 {
indices, err := ksg.MatchSetIDs(patterns)
if err != nil {
return err
}
if len(indices) == 0 {
return fmt.Errorf("no sets match the given patterns")
}
ids = make([]string, len(indices))
for i, idx := range indices {
ids[i] = ksg.SetIDOf(idx)
}
} else {
// Move all sets
ids = ksg.SetsIDs()
}
log.Infof("Moving %d set(s) from %s to %s", len(ids), srcDir, destDir)
// Copy first
dest, err := ksg.CopySetsByIDTo(ids, destDir, CLIForce())
if err != nil {
return err
}
// Remove from source (in reverse order to avoid renumbering issues)
for i := len(ids) - 1; i >= 0; i-- {
if err := ksg.RemoveSetByID(ids[i]); err != nil {
return fmt.Errorf("failed to remove set %q from source after copy: %w", ids[i], err)
}
}
log.Infof("Destination now has %d set(s), source has %d set(s)", dest.Size(), ksg.Size())
return nil
}

85
pkg/obitools/obik/obik.go Normal file
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package obik
import (
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/obiconvert"
"github.com/DavidGamba/go-getoptions"
)
// OptionSet registers all obik subcommands on the root GetOpt.
func OptionSet(opt *getoptions.GetOpt) {
// index: build or extend a kmer index from sequence files
indexCmd := opt.NewCommand("index", "Build a disk-based kmer index from sequence files")
obiconvert.InputOptionSet(indexCmd)
obiconvert.OutputModeOptionSet(indexCmd, false)
KmerIndexOptionSet(indexCmd)
indexCmd.StringMapVar(&_setMetaTags, "tag", 1, 1,
indexCmd.Alias("T"),
indexCmd.ArgName("KEY=VALUE"),
indexCmd.Description("Per-set metadata tag (repeatable)."))
indexCmd.SetCommandFn(runIndex)
// ls: list sets in a kmer index
lsCmd := opt.NewCommand("ls", "List sets in a kmer index")
OutputFormatOptionSet(lsCmd)
SetSelectionOptionSet(lsCmd)
lsCmd.SetCommandFn(runLs)
// summary: detailed statistics
summaryCmd := opt.NewCommand("summary", "Show detailed statistics of a kmer index")
OutputFormatOptionSet(summaryCmd)
summaryCmd.BoolVar(&_jaccard, "jaccard", false,
summaryCmd.Description("Compute and display pairwise Jaccard distance matrix."))
summaryCmd.SetCommandFn(runSummary)
// cp: copy sets between indices
cpCmd := opt.NewCommand("cp", "Copy sets between kmer indices")
SetSelectionOptionSet(cpCmd)
ForceOptionSet(cpCmd)
cpCmd.SetCommandFn(runCp)
// mv: move sets between indices
mvCmd := opt.NewCommand("mv", "Move sets between kmer indices")
SetSelectionOptionSet(mvCmd)
ForceOptionSet(mvCmd)
mvCmd.SetCommandFn(runMv)
// rm: remove sets from an index
rmCmd := opt.NewCommand("rm", "Remove sets from a kmer index")
SetSelectionOptionSet(rmCmd)
rmCmd.SetCommandFn(runRm)
// spectrum: output k-mer frequency spectrum as CSV
spectrumCmd := opt.NewCommand("spectrum", "Output k-mer frequency spectrum as CSV")
SetSelectionOptionSet(spectrumCmd)
obiconvert.OutputModeOptionSet(spectrumCmd, false)
spectrumCmd.SetCommandFn(runSpectrum)
// super: extract super k-mers from sequences
superCmd := opt.NewCommand("super", "Extract super k-mers from sequence files")
obiconvert.InputOptionSet(superCmd)
obiconvert.OutputOptionSet(superCmd)
SuperKmerOptionSet(superCmd)
superCmd.SetCommandFn(runSuper)
// lowmask: mask low-complexity regions
lowmaskCmd := opt.NewCommand("lowmask", "Mask low-complexity regions in sequences using entropy")
obiconvert.InputOptionSet(lowmaskCmd)
obiconvert.OutputOptionSet(lowmaskCmd)
LowMaskOptionSet(lowmaskCmd)
lowmaskCmd.SetCommandFn(runLowmask)
// match: annotate sequences with k-mer match positions from an index
matchCmd := opt.NewCommand("match", "Annotate sequences with k-mer match positions from an index")
IndexDirectoryOptionSet(matchCmd)
obiconvert.InputOptionSet(matchCmd)
obiconvert.OutputOptionSet(matchCmd)
SetSelectionOptionSet(matchCmd)
matchCmd.SetCommandFn(runMatch)
// filter: filter an index to remove low-complexity k-mers
filterCmd := opt.NewCommand("filter", "Filter a kmer index to remove low-complexity k-mers")
obiconvert.OutputModeOptionSet(filterCmd, false)
EntropyFilterOptionSet(filterCmd)
SetSelectionOptionSet(filterCmd)
filterCmd.SetCommandFn(runFilter)
}

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package obik
import (
"strings"
log "github.com/sirupsen/logrus"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidefault"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obikmer"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/obiconvert"
"github.com/DavidGamba/go-getoptions"
)
// MaskingMode defines how to handle low-complexity regions
type MaskingMode int
const (
MaskMode MaskingMode = iota // Replace low-complexity regions with masked characters
SplitMode // Split sequence into high-complexity fragments
ExtractMode // Extract low-complexity fragments
)
// Output format flags
var _jsonOutput bool
var _csvOutput bool
var _yamlOutput bool
// Set selection flags
var _setPatterns []string
// Force flag
var _force bool
// Jaccard flag
var _jaccard bool
// Per-set tags for index subcommand
var _setMetaTags = make(map[string]string, 0)
// ==============================
// Shared kmer options (used by index, super, lowmask)
// ==============================
var _kmerSize = 31
var _minimizerSize = -1 // -1 means auto: ceil(k / 2.5)
// KmerSizeOptionSet registers --kmer-size / -k.
// Shared by index, super, and lowmask subcommands.
func KmerSizeOptionSet(options *getoptions.GetOpt) {
options.IntVar(&_kmerSize, "kmer-size", _kmerSize,
options.Alias("k"),
options.Description("Size of k-mers (must be between 2 and 31)."))
}
// MinimizerOptionSet registers --minimizer-size / -m.
// Shared by index and super subcommands.
func MinimizerOptionSet(options *getoptions.GetOpt) {
options.IntVar(&_minimizerSize, "minimizer-size", _minimizerSize,
options.Alias("m"),
options.Description("Size of minimizers for parallelization (-1 for auto = ceil(k/2.5))."))
}
// ==============================
// Lowmask-specific options
// ==============================
var _entropySize = 6
var _entropyThreshold = 0.5
var _splitMode = false
var _extractMode = false
var _maskingChar = "."
var _keepShorter = false
// LowMaskOptionSet registers options specific to low-complexity masking.
func LowMaskOptionSet(options *getoptions.GetOpt) {
KmerSizeOptionSet(options)
options.IntVar(&_entropySize, "entropy-size", _entropySize,
options.Description("Maximum word size considered for entropy estimate."))
options.Float64Var(&_entropyThreshold, "threshold", _entropyThreshold,
options.Description("Entropy threshold below which a kmer is masked (0 to 1)."))
options.BoolVar(&_splitMode, "extract-high", _splitMode,
options.Description("Extract only high-complexity regions."))
options.BoolVar(&_extractMode, "extract-low", _extractMode,
options.Description("Extract only low-complexity regions."))
options.StringVar(&_maskingChar, "masking-char", _maskingChar,
options.Description("Character used to mask low complexity regions."))
options.BoolVar(&_keepShorter, "keep-shorter", _keepShorter,
options.Description("Keep fragments shorter than kmer-size in split/extract mode."))
}
// ==============================
// Index-specific options
// ==============================
var _indexId = ""
var _metadataFormat = "toml"
var _setTag = make(map[string]string, 0)
var _minOccurrence = 1
var _maxOccurrence = 0
var _saveFullFilter = false
var _saveFreqKmer = 0
var _indexEntropyThreshold = 0.0
var _indexEntropySize = 6
// KmerIndexOptionSet defines every option related to kmer index building.
func KmerIndexOptionSet(options *getoptions.GetOpt) {
KmerSizeOptionSet(options)
MinimizerOptionSet(options)
options.StringVar(&_indexId, "index-id", _indexId,
options.Description("Identifier for the kmer index."))
options.StringVar(&_metadataFormat, "metadata-format", _metadataFormat,
options.Description("Format for metadata file (toml, yaml, json)."))
options.StringMapVar(&_setTag, "set-tag", 1, 1,
options.Alias("S"),
options.ArgName("KEY=VALUE"),
options.Description("Adds a group-level metadata attribute KEY with value VALUE."))
options.IntVar(&_minOccurrence, "min-occurrence", _minOccurrence,
options.Description("Minimum number of occurrences for a k-mer to be kept (default 1 = keep all)."))
options.IntVar(&_maxOccurrence, "max-occurrence", _maxOccurrence,
options.Description("Maximum number of occurrences for a k-mer to be kept (default 0 = no upper bound)."))
options.BoolVar(&_saveFullFilter, "save-full-filter", _saveFullFilter,
options.Description("When using --min-occurrence > 1, save the full frequency filter instead of just the filtered index."))
options.IntVar(&_saveFreqKmer, "save-freq-kmer", _saveFreqKmer,
options.Description("Save the N most frequent k-mers per set to a CSV file (top_kmers.csv)."))
options.Float64Var(&_indexEntropyThreshold, "entropy-filter", _indexEntropyThreshold,
options.Description("Filter low-complexity k-mers with entropy <= threshold (0 = disabled)."))
options.IntVar(&_indexEntropySize, "entropy-filter-size", _indexEntropySize,
options.Description("Maximum word size for entropy filter computation (default 6)."))
}
// EntropyFilterOptionSet registers entropy filter options for commands
// that process existing indices (e.g. filter).
func EntropyFilterOptionSet(options *getoptions.GetOpt) {
options.Float64Var(&_indexEntropyThreshold, "entropy-filter", _indexEntropyThreshold,
options.Description("Filter low-complexity k-mers with entropy <= threshold (0 = disabled)."))
options.IntVar(&_indexEntropySize, "entropy-filter-size", _indexEntropySize,
options.Description("Maximum word size for entropy filter computation (default 6)."))
}
// ==============================
// Super kmer options
// ==============================
// SuperKmerOptionSet registers options specific to super k-mer extraction.
func SuperKmerOptionSet(options *getoptions.GetOpt) {
KmerSizeOptionSet(options)
MinimizerOptionSet(options)
}
// CLIKmerSize returns the k-mer size.
func CLIKmerSize() int {
return _kmerSize
}
// CLIMinimizerSize returns the effective minimizer size.
func CLIMinimizerSize() int {
m := _minimizerSize
if m < 0 {
m = obikmer.DefaultMinimizerSize(_kmerSize)
}
nworkers := obidefault.ParallelWorkers()
m = obikmer.ValidateMinimizerSize(m, _kmerSize, nworkers)
return m
}
// CLIIndexId returns the index identifier.
func CLIIndexId() string {
return _indexId
}
// CLIMetadataFormat returns the metadata format.
func CLIMetadataFormat() obikmer.MetadataFormat {
switch strings.ToLower(_metadataFormat) {
case "toml":
return obikmer.FormatTOML
case "yaml":
return obikmer.FormatYAML
case "json":
return obikmer.FormatJSON
default:
log.Warnf("Unknown metadata format %q, defaulting to TOML", _metadataFormat)
return obikmer.FormatTOML
}
}
// CLISetTag returns the group-level metadata key=value pairs.
func CLISetTag() map[string]string {
return _setTag
}
// CLIMinOccurrence returns the minimum occurrence threshold.
func CLIMinOccurrence() int {
return _minOccurrence
}
// CLIMaxOccurrence returns the maximum occurrence threshold (0 = no upper bound).
func CLIMaxOccurrence() int {
return _maxOccurrence
}
// CLISaveFullFilter returns whether to save the full frequency filter.
func CLISaveFullFilter() bool {
return _saveFullFilter
}
// CLISaveFreqKmer returns the number of top frequent k-mers to save (0 = disabled).
func CLISaveFreqKmer() int {
return _saveFreqKmer
}
// CLIOutputDirectory returns the output directory path.
func CLIOutputDirectory() string {
return obiconvert.CLIOutPutFileName()
}
// SetKmerSize sets the k-mer size (for testing).
func SetKmerSize(k int) {
_kmerSize = k
}
// SetMinimizerSize sets the minimizer size (for testing).
func SetMinimizerSize(m int) {
_minimizerSize = m
}
// SetMinOccurrence sets the minimum occurrence (for testing).
func SetMinOccurrence(n int) {
_minOccurrence = n
}
// CLIMaskingMode returns the masking mode from CLI flags.
func CLIMaskingMode() MaskingMode {
switch {
case _extractMode:
return ExtractMode
case _splitMode:
return SplitMode
default:
return MaskMode
}
}
// CLIMaskingChar returns the masking character, validated.
func CLIMaskingChar() byte {
mask := strings.TrimSpace(_maskingChar)
if len(mask) != 1 {
log.Fatalf("--masking-char option accepts a single character, not %s", mask)
}
return []byte(mask)[0]
}
// CLIEntropySize returns the entropy word size.
func CLIEntropySize() int {
return _entropySize
}
// CLIEntropyThreshold returns the entropy threshold.
func CLIEntropyThreshold() float64 {
return _entropyThreshold
}
// CLIKeepShorter returns whether to keep short fragments.
func CLIKeepShorter() bool {
return _keepShorter
}
// ==============================
// Match-specific options
// ==============================
var _indexDirectory = ""
// IndexDirectoryOptionSet registers --index / -i (mandatory directory for match).
func IndexDirectoryOptionSet(options *getoptions.GetOpt) {
options.StringVar(&_indexDirectory, "index", _indexDirectory,
options.Alias("i"),
options.Required(),
options.ArgName("DIRECTORY"),
options.Description("Path to the kmer index directory."))
}
// CLIIndexDirectory returns the --index directory path.
func CLIIndexDirectory() string {
return _indexDirectory
}
// CLIIndexEntropyThreshold returns the entropy filter threshold for index building (0 = disabled).
func CLIIndexEntropyThreshold() float64 {
return _indexEntropyThreshold
}
// CLIIndexEntropySize returns the entropy filter word size for index building.
func CLIIndexEntropySize() int {
return _indexEntropySize
}
// OutputFormatOptionSet registers --json-output, --csv-output, --yaml-output.
func OutputFormatOptionSet(options *getoptions.GetOpt) {
options.BoolVar(&_jsonOutput, "json-output", false,
options.Description("Print results as JSON."))
options.BoolVar(&_csvOutput, "csv-output", false,
options.Description("Print results as CSV."))
options.BoolVar(&_yamlOutput, "yaml-output", false,
options.Description("Print results as YAML."))
}
// CLIOutFormat returns the selected output format: "json", "csv", "yaml", or "text".
func CLIOutFormat() string {
if _jsonOutput {
return "json"
}
if _csvOutput {
return "csv"
}
if _yamlOutput {
return "yaml"
}
return "text"
}
// SetSelectionOptionSet registers --set <glob_pattern> (repeatable).
func SetSelectionOptionSet(options *getoptions.GetOpt) {
options.StringSliceVar(&_setPatterns, "set", 1, 1,
options.Alias("s"),
options.ArgName("PATTERN"),
options.Description("Set ID or glob pattern (repeatable, supports *, ?, [...])."))
}
// CLISetPatterns returns the --set patterns provided by the user.
func CLISetPatterns() []string {
return _setPatterns
}
// ForceOptionSet registers --force / -f.
func ForceOptionSet(options *getoptions.GetOpt) {
options.BoolVar(&_force, "force", false,
options.Alias("f"),
options.Description("Force operation even if set ID already exists in destination."))
}
// CLIForce returns whether --force was specified.
func CLIForce() bool {
return _force
}

56
pkg/obitools/obik/rm.go Normal file
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package obik
import (
"context"
"fmt"
log "github.com/sirupsen/logrus"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obikmer"
"github.com/DavidGamba/go-getoptions"
)
func runRm(ctx context.Context, opt *getoptions.GetOpt, args []string) error {
if len(args) < 1 {
return fmt.Errorf("usage: obik rm --set PATTERN [--set PATTERN]... <index_directory>")
}
patterns := CLISetPatterns()
if len(patterns) == 0 {
return fmt.Errorf("--set is required (specify which sets to remove)")
}
indexDir := args[0]
ksg, err := obikmer.OpenKmerSetGroup(indexDir)
if err != nil {
return fmt.Errorf("failed to open kmer index: %w", err)
}
indices, err := ksg.MatchSetIDs(patterns)
if err != nil {
return err
}
if len(indices) == 0 {
return fmt.Errorf("no sets match the given patterns")
}
// Collect IDs before removal (indices shift as we remove)
ids := make([]string, len(indices))
for i, idx := range indices {
ids[i] = ksg.SetIDOf(idx)
}
log.Infof("Removing %d set(s) from %s", len(ids), indexDir)
// Remove in reverse order to avoid renumbering issues
for i := len(ids) - 1; i >= 0; i-- {
if err := ksg.RemoveSetByID(ids[i]); err != nil {
return fmt.Errorf("failed to remove set %q: %w", ids[i], err)
}
log.Infof("Removed set %q", ids[i])
}
log.Infof("Index now has %d set(s)", ksg.Size())
return nil
}

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package obik
import (
"context"
"encoding/csv"
"fmt"
"os"
"strconv"
log "github.com/sirupsen/logrus"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obikmer"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/obiconvert"
"github.com/DavidGamba/go-getoptions"
)
// runSpectrum implements the "obik spectrum" subcommand.
// It outputs k-mer frequency spectra as CSV with one column per set.
func runSpectrum(ctx context.Context, opt *getoptions.GetOpt, args []string) error {
if len(args) < 1 {
return fmt.Errorf("usage: obik spectrum [options] <index_directory>")
}
ksg, err := obikmer.OpenKmerSetGroup(args[0])
if err != nil {
return fmt.Errorf("failed to open kmer index: %w", err)
}
// Determine which sets to include
patterns := CLISetPatterns()
var indices []int
if len(patterns) > 0 {
indices, err = ksg.MatchSetIDs(patterns)
if err != nil {
return fmt.Errorf("failed to match set patterns: %w", err)
}
if len(indices) == 0 {
return fmt.Errorf("no sets match the given patterns")
}
} else {
// All sets
indices = make([]int, ksg.Size())
for i := range indices {
indices[i] = i
}
}
// Read spectra for selected sets
spectraMaps := make([]map[int]uint64, len(indices))
maxFreq := 0
for i, idx := range indices {
spectrum, err := ksg.Spectrum(idx)
if err != nil {
return fmt.Errorf("failed to read spectrum for set %d: %w", idx, err)
}
if spectrum == nil {
log.Warnf("No spectrum data for set %d (%s)", idx, ksg.SetIDOf(idx))
spectraMaps[i] = make(map[int]uint64)
continue
}
spectraMaps[i] = spectrum.ToMap()
if mf := spectrum.MaxFrequency(); mf > maxFreq {
maxFreq = mf
}
}
if maxFreq == 0 {
return fmt.Errorf("no spectrum data found in any selected set")
}
// Determine output destination
outFile := obiconvert.CLIOutPutFileName()
var w *csv.Writer
if outFile == "" || outFile == "-" {
w = csv.NewWriter(os.Stdout)
} else {
f, err := os.Create(outFile)
if err != nil {
return fmt.Errorf("failed to create output file: %w", err)
}
defer f.Close()
w = csv.NewWriter(f)
}
defer w.Flush()
// Build header: frequency, set_id_1, set_id_2, ...
header := make([]string, 1+len(indices))
header[0] = "frequency"
for i, idx := range indices {
id := ksg.SetIDOf(idx)
if id == "" {
id = fmt.Sprintf("set_%d", idx)
}
header[i+1] = id
}
if err := w.Write(header); err != nil {
return err
}
// Write rows for each frequency from 1 to maxFreq
record := make([]string, 1+len(indices))
for freq := 1; freq <= maxFreq; freq++ {
record[0] = strconv.Itoa(freq)
hasData := false
for i := range indices {
count := spectraMaps[i][freq]
record[i+1] = strconv.FormatUint(count, 10)
if count > 0 {
hasData = true
}
}
// Only write rows where at least one set has a non-zero count
if hasData {
if err := w.Write(record); err != nil {
return err
}
}
}
return nil
}

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package obik
import (
"context"
"encoding/json"
"fmt"
"os"
"path/filepath"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obikmer"
"github.com/DavidGamba/go-getoptions"
"gopkg.in/yaml.v3"
)
type setSummary struct {
Index int `json:"index" yaml:"index"`
ID string `json:"id" yaml:"id"`
Count uint64 `json:"count" yaml:"count"`
DiskSize int64 `json:"disk_bytes" yaml:"disk_bytes"`
Metadata map[string]interface{} `json:"metadata,omitempty" yaml:"metadata,omitempty"`
}
type groupSummary struct {
Path string `json:"path" yaml:"path"`
ID string `json:"id,omitempty" yaml:"id,omitempty"`
K int `json:"k" yaml:"k"`
M int `json:"m" yaml:"m"`
Partitions int `json:"partitions" yaml:"partitions"`
TotalSets int `json:"total_sets" yaml:"total_sets"`
TotalKmers uint64 `json:"total_kmers" yaml:"total_kmers"`
TotalDisk int64 `json:"total_disk_bytes" yaml:"total_disk_bytes"`
Metadata map[string]interface{} `json:"metadata,omitempty" yaml:"metadata,omitempty"`
Sets []setSummary `json:"sets" yaml:"sets"`
Jaccard [][]float64 `json:"jaccard,omitempty" yaml:"jaccard,omitempty"`
}
func runSummary(ctx context.Context, opt *getoptions.GetOpt, args []string) error {
if len(args) < 1 {
return fmt.Errorf("usage: obik summary [options] <index_directory>")
}
ksg, err := obikmer.OpenKmerSetGroup(args[0])
if err != nil {
return fmt.Errorf("failed to open kmer index: %w", err)
}
summary := groupSummary{
Path: ksg.Path(),
ID: ksg.Id(),
K: ksg.K(),
M: ksg.M(),
Partitions: ksg.Partitions(),
TotalSets: ksg.Size(),
TotalKmers: ksg.Len(),
Metadata: ksg.Metadata,
Sets: make([]setSummary, ksg.Size()),
}
var totalDisk int64
for i := 0; i < ksg.Size(); i++ {
diskSize := computeSetDiskSize(ksg, i)
totalDisk += diskSize
summary.Sets[i] = setSummary{
Index: i,
ID: ksg.SetIDOf(i),
Count: ksg.Len(i),
DiskSize: diskSize,
Metadata: ksg.AllSetMetadata(i),
}
}
summary.TotalDisk = totalDisk
// Jaccard matrix
if _jaccard && ksg.Size() > 1 {
dm := ksg.JaccardDistanceMatrix()
n := ksg.Size()
matrix := make([][]float64, n)
for i := 0; i < n; i++ {
matrix[i] = make([]float64, n)
for j := 0; j < n; j++ {
if i == j {
matrix[i][j] = 0
} else {
matrix[i][j] = dm.Get(i, j)
}
}
}
summary.Jaccard = matrix
}
format := CLIOutFormat()
switch format {
case "json":
return outputSummaryJSON(summary)
case "yaml":
return outputSummaryYAML(summary)
case "csv":
return outputSummaryCSV(summary)
default:
return outputSummaryJSON(summary)
}
}
func computeSetDiskSize(ksg *obikmer.KmerSetGroup, setIndex int) int64 {
var total int64
for p := 0; p < ksg.Partitions(); p++ {
path := ksg.PartitionPath(setIndex, p)
info, err := os.Stat(path)
if err != nil {
continue
}
total += info.Size()
}
// Also count the set directory entry itself
setDir := filepath.Join(ksg.Path(), fmt.Sprintf("set_%d", setIndex))
entries, err := os.ReadDir(setDir)
if err == nil {
// We already counted .kdi files above; this is just for completeness
_ = entries
}
return total
}
func outputSummaryJSON(summary groupSummary) error {
data, err := json.MarshalIndent(summary, "", " ")
if err != nil {
return err
}
fmt.Println(string(data))
return nil
}
func outputSummaryYAML(summary groupSummary) error {
data, err := yaml.Marshal(summary)
if err != nil {
return err
}
fmt.Print(string(data))
return nil
}
func outputSummaryCSV(summary groupSummary) error {
fmt.Println("index,id,count,disk_bytes")
for _, s := range summary.Sets {
fmt.Printf("%d,%s,%d,%d\n", s.Index, s.ID, s.Count, s.DiskSize)
}
return nil
}

View File

@@ -0,0 +1,49 @@
package obik
import (
"context"
"fmt"
log "github.com/sirupsen/logrus"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obidefault"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obikmer"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obitools/obiconvert"
"git.metabarcoding.org/obitools/obitools4/obitools4/pkg/obiutils"
"github.com/DavidGamba/go-getoptions"
)
// runSuper implements the "obik super" subcommand.
// It extracts super k-mers from DNA sequences.
func runSuper(ctx context.Context, opt *getoptions.GetOpt, args []string) error {
k := CLIKmerSize()
m := CLIMinimizerSize()
if k < 2 || k > 31 {
return fmt.Errorf("invalid k-mer size: %d (must be between 2 and 31)", k)
}
if m < 1 || m >= k {
return fmt.Errorf("invalid parameters: minimizer size (%d) must be between 1 and k-1 (%d)", m, k-1)
}
log.Printf("Extracting super k-mers with k=%d, m=%d", k, m)
sequences, err := obiconvert.CLIReadBioSequences(args...)
if err != nil {
return fmt.Errorf("failed to open sequence files: %w", err)
}
worker := obikmer.SuperKmerWorker(k, m)
superkmers := sequences.MakeIWorker(
worker,
false,
obidefault.ParallelWorkers(),
)
obiconvert.CLIWriteBioSequences(superkmers, true)
obiutils.WaitForLastPipe()
return nil
}

View File

@@ -42,16 +42,19 @@ func MapOnLandmarkSequences(library obiseq.BioSequenceSlice, landmark_idx []int,
seqworld := obiutils.Make2DArray[float64](library_size, n_landmark) seqworld := obiutils.Make2DArray[float64](library_size, n_landmark)
pbopt := make([]progressbar.Option, 0, 5) var bar *progressbar.ProgressBar
pbopt = append(pbopt, if obidefault.ProgressBar() {
progressbar.OptionSetWriter(os.Stderr), pbopt := make([]progressbar.Option, 0, 5)
progressbar.OptionSetWidth(15), pbopt = append(pbopt,
progressbar.OptionShowCount(), progressbar.OptionSetWriter(os.Stderr),
progressbar.OptionShowIts(), progressbar.OptionSetWidth(15),
progressbar.OptionSetDescription("[Sequence mapping]"), progressbar.OptionShowCount(),
) progressbar.OptionShowIts(),
progressbar.OptionSetDescription("[Sequence mapping]"),
)
bar := progressbar.NewOptions(library_size, pbopt...) bar = progressbar.NewOptions(library_size, pbopt...)
}
waiting := sync.WaitGroup{} waiting := sync.WaitGroup{}
waiting.Add(nworkers) waiting.Add(nworkers)
@@ -66,7 +69,9 @@ func MapOnLandmarkSequences(library obiseq.BioSequenceSlice, landmark_idx []int,
match, lalign := obialign.FastLCSScore(landmark, seq, -1, &buffer) match, lalign := obialign.FastLCSScore(landmark, seq, -1, &buffer)
coord[j] = float64(lalign - match) coord[j] = float64(lalign - match)
} }
bar.Add(1) if bar != nil {
bar.Add(1)
}
} }
waiting.Done() waiting.Done()
} }
@@ -170,23 +175,26 @@ func CLISelectLandmarkSequences(iterator obiiter.IBioSequence) obiiter.IBioSeque
taxa.Set(i, taxon) taxa.Set(i, taxon)
} }
pbopt := make([]progressbar.Option, 0, 5) var bar2 *progressbar.ProgressBar
pbopt = append(pbopt, if obidefault.ProgressBar() {
progressbar.OptionSetWriter(os.Stderr), pbopt := make([]progressbar.Option, 0, 5)
progressbar.OptionSetWidth(15), pbopt = append(pbopt,
progressbar.OptionShowCount(), progressbar.OptionSetWriter(os.Stderr),
progressbar.OptionShowIts(), progressbar.OptionSetWidth(15),
progressbar.OptionSetDescription("[Sequence Indexing]"), progressbar.OptionShowCount(),
) progressbar.OptionShowIts(),
progressbar.OptionSetDescription("[Sequence Indexing]"),
)
bar := progressbar.NewOptions(len(library), pbopt...) bar2 = progressbar.NewOptions(len(library), pbopt...)
}
for i, seq := range library { for i, seq := range library {
idx := obirefidx.GeomIndexSesquence(i, library, taxa, taxo) idx := obirefidx.GeomIndexSesquence(i, library, taxa, taxo)
seq.SetOBITagGeomRefIndex(idx) seq.SetOBITagGeomRefIndex(idx)
if i%10 == 0 { if bar2 != nil && i%10 == 0 {
bar.Add(10) bar2.Add(10)
} }
} }
} }

View File

@@ -1,332 +0,0 @@
```{r}
library(tidyverse)
```
```{r}
x <- sample(1:4096, 29, replace=TRUE)
```
```{r}
emax <- function(lseq,word_size) {
nword = lseq - word_size + 1
nalpha = 4^word_size
if (nalpha < nword) {
cov = nword %/% nalpha
remains = nword %% nalpha
f1 = cov/nword
f2 = (cov+1)/nword
print(c(nalpha - remains,f1,remains,f2))
e = -(nalpha - remains) * f1 * log(f1) -
remains * f2 * log(f2)
} else {
e = log(nword)
}
e
}
```
```{r}
ec <- function(data,kmer_size) {
table <- table(data)
s <- sum(table)
e <- sum(table * log(table))/s
ed <- log(s) - e
em <- emax(s+kmer_size-1,kmer_size)
ed/em
}
```
```{r}
ef <- function(data,kmer_size) {
table <- table(data)
s <- sum(table)
f <- table / s
f <- as.numeric(f)
f <- f[f > 0]
em <- emax(s+kmer_size-1,kmer_size)
ed <- -sum(f * log(f))
print(c(ed,em,ed/em))
ed/em
}
```
```{r}
okmer <- function(data,kmer_size) {
str_sub(data,1:(nchar(data)-kmer_size+1)) %>%
str_sub(1,kmer_size)
}
```
```{r}
# Normalisation circulaire: retourne le plus petit k-mer par rotation circulaire
normalize_circular <- function(kmer) {
if (nchar(kmer) == 0) return(kmer)
canonical <- kmer
n <- nchar(kmer)
# Tester toutes les rotations circulaires
for (i in 2:n) {
rotated <- paste0(str_sub(kmer, i, n), str_sub(kmer, 1, i-1))
if (rotated < canonical) {
canonical <- rotated
}
}
canonical
}
```
```{r}
# Fonction totient d'Euler: compte le nombre d'entiers de 1 à n coprimes avec n
euler_totient <- function(n) {
if (n <= 0) return(0)
result <- n
p <- 2
# Traiter tous les facteurs premiers
while (p * p <= n) {
if (n %% p == 0) {
# Retirer toutes les occurrences de p
while (n %% p == 0) {
n <- n %/% p
}
# Appliquer la formule: φ(n) = n * (1 - 1/p)
result <- result - result %/% p
}
p <- p + 1
}
# Si n est toujours > 1, alors c'est un facteur premier
if (n > 1) {
result <- result - result %/% n
}
result
}
```
```{r}
# Retourne tous les diviseurs de n
divisors <- function(n) {
if (n <= 0) return(integer(0))
divs <- c()
i <- 1
while (i * i <= n) {
if (n %% i == 0) {
divs <- c(divs, i)
if (i != n %/% i) {
divs <- c(divs, n %/% i)
}
}
i <- i + 1
}
sort(divs)
}
```
```{r}
# Compte le nombre de colliers (necklaces) distincts de longueur n
# sur un alphabet de taille a en utilisant la formule de Moreau:
# N(n, a) = (1/n) * Σ φ(d) * a^(n/d)
# où la somme est sur tous les diviseurs d de n, et φ est la fonction totient d'Euler
necklace_count <- function(n, alphabet_size) {
if (n <= 0) return(0)
divs <- divisors(n)
sum_val <- 0
for (d in divs) {
# Calculer alphabet_size^(n/d)
power <- alphabet_size^(n %/% d)
sum_val <- sum_val + euler_totient(d) * power
}
sum_val %/% n
}
```
```{r}
# Nombre de classes d'équivalence pour les k-mers normalisés
# Utilise la formule exacte de Moreau pour compter les colliers (necklaces)
n_normalized_kmers <- function(kmer_size) {
# Valeurs exactes pré-calculées pour k=1 à 6
if (kmer_size == 1) return(4)
if (kmer_size == 2) return(10)
if (kmer_size == 3) return(24)
if (kmer_size == 4) return(70)
if (kmer_size == 5) return(208)
if (kmer_size == 6) return(700)
# Pour k > 6, utiliser la formule de Moreau (exacte)
# Alphabet ADN a 4 bases
necklace_count(kmer_size, 4)
}
```
```{r}
# Entropie maximale pour k-mers normalisés
enmax <- function(lseq, word_size) {
nword = lseq - word_size + 1
nalpha = n_normalized_kmers(word_size)
if (nalpha < nword) {
cov = nword %/% nalpha
remains = nword %% nalpha
f1 = cov/nword
f2 = (cov+1)/nword
e = -(nalpha - remains) * f1 * log(f1) -
remains * f2 * log(f2)
} else {
e = log(nword)
}
e
}
```
```{r}
# Entropie normalisée avec normalisation circulaire des k-mers
ecn <- function(data, kmer_size) {
# Normaliser tous les k-mers
normalized_data <- sapply(data, normalize_circular)
# Calculer la table des fréquences
table <- table(normalized_data)
s <- sum(table)
e <- sum(table * log(table))/s
ed <- log(s) - e
# Entropie maximale avec normalisation
em <- enmax(s + kmer_size - 1, kmer_size)
ed/em
}
```
```{r}
k<-'aaaaaaaaaaaaaaaaaaaaaaaaaaaaaaa'
ec(okmer(k,1),1)
ec(okmer(k,2),2)
ec(okmer(k,3),3)
ec(okmer(k,4),4)
```
```{r}
k<-'atatatatatatatatatatatatatatata'
ef(okmer(k,1),1)
ef(okmer(k,2),2)
ef(okmer(k,3),3)
ef(okmer(k,4),4)
```
```{r}
k<-'aaaaaaaaaaaaaaaattttttttttttttt'
ef(okmer(k,1),1)
ef(okmer(k,2),2)
ef(okmer(k,3),3)
ef(okmer(k,4),4)
```
```{r}
k<-'atgatgatgatgatgatgatgatgatgatga'
ef(okmer(k,1),1)
ef(okmer(k,2),2)
ef(okmer(k,3),3)
ef(okmer(k,4),4)
```
```{r}
k<-'atcgatcgatcgatcgatcgatcgatcgact'
ecn(okmer(k,1),1)
ecn(okmer(k,2),2)
ecn(okmer(k,3),3)
ecn(okmer(k,4),4)
```
```{r}
k<-paste(sample(rep(c("a","c","g","t"),8),31),collapse="")
k <- "actatggcaagtcgtaaccgcgcttatcagg"
ecn(okmer(k,1),1)
ecn(okmer(k,2),2)
ecn(okmer(k,3),3)
ecn(okmer(k,4),4)
```
aattaaaaaaacaagataaaataatattttt
```{r}
k<-'aattaaaaaaacaagataaaataatattttt'
ecn(okmer(k,1),1)
ecn(okmer(k,2),2)
ecn(okmer(k,3),3)
ecn(okmer(k,4),4)
```
atg tga gat ,,,,
cat tca atc
tgatgatgatgatgatgatgatgatgatg
## Tests de normalisation circulaire
```{r}
# Test de la fonction de normalisation
normalize_circular("ca") # devrait donner "ac"
normalize_circular("tgca") # devrait donner "atgc"
normalize_circular("acgt") # devrait donner "acgt"
```
```{r}
# Comparaison ec vs ecn sur une séquence répétitive
# Les k-mers "atg", "tga", "gat" sont équivalents par rotation
k <- 'atgatgatgatgatgatgatgatgatgatga'
cat("Séquence:", k, "\n")
cat("ec(k,3) =", ec(okmer(k,3),3), "\n")
cat("ecn(k,3) =", ecn(okmer(k,3),3), "\n")
```
```{r}
# Comparaison sur séquence aléatoire
k <- "actatggcaagtcgtaaccgcgcttatcagg"
cat("Séquence:", k, "\n")
cat("Sans normalisation:\n")
cat(" ec(k,2) =", ec(okmer(k,2),2), "\n")
cat(" ec(k,3) =", ec(okmer(k,3),3), "\n")
cat(" ec(k,4) =", ec(okmer(k,4),4), "\n")
cat("Avec normalisation circulaire:\n")
cat(" ecn(k,2) =", ecn(okmer(k,2),2), "\n")
cat(" ecn(k,3) =", ecn(okmer(k,3),3), "\n")
cat(" ecn(k,4) =", ecn(okmer(k,4),4), "\n")
```
```{r}
sequence <- "ttcatcactcagcaatcctgaatgatGAGAGCTTTTTTTTTTTATATATATATATATGTATATGTATGAAATACACTtatgctccgtttgtttcgccgtaa"
re <- rev(c(0.8108602271901116,0.8108602271901116,0.8041354757148719,0.8041354757148719,0.8041354757148719,0.8041354757148719,0.8041354757148719,0.8041354757148719,0.7800272339058549,0.7800272339058549,0.7751610144606091,0.7751610144606091,0.7751610144606091,0.764858185548322,0.7325526601302021,0.7137620699527615,0.6789199521982864,0.6584536373623372,0.634002687184193,0.6075290415873623,0.5785545803330997,0.5785545803330997,0.5503220289212184,0.5315314387437778,0.4966893209893028,0.46077361820145696,0.42388221293245526,0.4009547969713408,0.3561142883497758,0.3561142883497758,0.3561142883497758,0.3561142883497758,0.3561142883497758,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.3418776106000334,0.35141814451677883,0.35141814451677883,0.35141814451677883,0.35141814451677883,0.35141814451677883,0.390029016052137,0.42781461756157363,0.45192285937059073,0.47238917420654,0.47238917420654,0.47238917420654,0.5092805794755417,0.5451962822633876,0.5800384000178626,0.602395141014297,0.6046146614886381,0.6046146614886381,0.6119084258128231,0.6119084258128231,0.6214217106113492,0.6424704346756562,0.6482381543085467,0.6635191587399633,0.6635191587399633,0.6635191587399633,0.6828444721058894,0.6950205907027562,0.696103322070051,0.696103322070051,0.696103322070051,0.696103322070051,0.696103322070051,0.696103322070051,0.696103322070051,0.696103322070051,0.696103322070051,0.7208976112999935))
di <- c(0.7208976112999935,0.6961033220700509,0.6961033220700509,0.6961033220700509,0.6961033220700509,0.6961033220700509,0.6961033220700509,0.6961033220700509,0.6961033220700509,0.6961033220700509,0.6950205907027562,0.6828444721058894,0.6635191587399633,0.6635191587399633,0.6635191587399633,0.6482381543085467,0.6424704346756562,0.6214217106113492,0.6119084258128231,0.6119084258128231,0.6046146614886382,0.6046146614886382,0.6023951410142971,0.5800384000178627,0.5451962822633876,0.5092805794755418,0.47238917420654003,0.47238917420654003,0.47238917420654003,0.4519228593705908,0.4278146175615737,0.39002901605213713,0.35141814451677894,0.35141814451677894,0.35141814451677894,0.35141814451677894,0.35141814451677883,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3418776106000333,0.3561142883497762,0.3561142883497762,0.3561142883497762,0.3561142883497762,0.3561142883497762,0.40095479697134073,0.42388221293245526,0.46077361820145696,0.4966893209893028,0.5315314387437778,0.5503220289212184,0.5785545803330997,0.5785545803330997,0.6075290415873625,0.6340026871841933,0.6584536373623374,0.6789199521982866,0.7137620699527616,0.7325526601302023,0.7648581855483221,0.7751610144606093,0.7751610144606093,0.7751610144606093,0.7800272339058549,0.7800272339058549,0.8041354757148721,0.8041354757148721,0.8041354757148721,0.8041354757148721,0.8041354757148721,0.8041354757148721,0.8108602271901116,0.8108602271901116)
ebidir <- tibble(direct=di,reverse=re) %>%
mutate(position = 1:length(re),
nucleotide = str_sub(sequence,position,position))
ebidir %>%
ggplot(aes(x=position,y=direct)) +
geom_line() +
scale_x_continuous(breaks = ebidir$position, labels = ebidir$nucleotide) +
ylim(0,1)+
geom_hline(yintercept=0.5, col = "red", linetype = "dashed")
```

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