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13 Commits
ecoprimers
...
master
Author | SHA1 | Date | |
---|---|---|---|
d4fa8b43a4 | |||
b7552200bd | |||
791aeb0ef9 | |||
1e3f82bb51 | |||
f1ef2caae6 | |||
680cc4d7a2 | |||
09f3e19f32 | |||
08debff2ac | |||
e16e9bfa0c | |||
7fbea9d63f | |||
9a9fb383ad | |||
8c1668faa4 | |||
92826de147 |
15
.gitignore
vendored
15
.gitignore
vendored
@ -1,16 +1,15 @@
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# /src/
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*.o
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/src/*.P
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/src/*.a
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/src/ecoPrimer
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# /src/libecoPCR/
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/src/libecoPCR/*.P
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/src/libecoPCR/*.a
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# /src/libecoprimer/
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/src/libecoPCR/*.o
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/src/libecoprimer/*.P
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/src/libecoprimer/*.a
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# /src/libthermo/
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/src/libecoprimer/*.o
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/src/libthermo/*.P
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/src/libthermo/*.a
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/src/libthermo/*.o
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phylonorway.*
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src/ecoPrimers
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@ -28,7 +28,7 @@ all: $(EXEC)
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# executable compilation and link
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ecoPrimers: $(PRIMER_OBJ) $(LIBFILE)
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$(CC) -g $(LDFLAGS) -O5 -m64 -o $@ $< $(LIBPATH) $(LIB)
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$(CC) $(LDFLAGS) -O5 -o $@ $< $(LIBPATH) $(LIB)
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########
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@ -171,13 +171,9 @@ void printapair(int32_t index,ppair_t pair, poptions_t options)
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bool_t good2=pair->p2->good;
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bool_t goodtmp;
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bool_t strand;
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uint32_t i, j;
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float temp;
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CNNParams nnparams;
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uint32_t i;
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//nparam_InitParams(&nnparams, DEF_CONC_PRIMERS,DEF_CONC_SEQUENCES,DEF_SALT,SALT_METHOD_SANTALUCIA);
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char *c;
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const char *c;
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char p1[32];
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char p2[32];
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@ -376,21 +372,20 @@ uint32_t filterandsortpairs(ppair_t* sortedpairs,uint32_t count, poptions_t opti
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void printpairs (ppairtree_t pairs, poptions_t options,ecotaxonomy_t *taxonomy, pecodnadb_t seqdb)
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{
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ppair_t* sortedpairs;
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ppair_t* index;
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// ppair_t* index;
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ppairlist_t pl;
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size_t i,j;
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size_t count;
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char *taxon[]={"taxon","taxa"};
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ecotx_t *current_taxon;
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//pairset pair_sets;
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pairset *pset = NULL;
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//printf("Index\tPrimer1\tPrimer2\tGB\tInexampleCount\tOutexampleCount\tYule\tIntaxaCount\tOuttaxaCount\tCoverage\tSpecificity\tMinAmplifiedLength\tMaxAmplifiedLength\tAvgAmplifiedLength\n");
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fprintf(stderr,"Total pair count : %d\n",pairs->count);
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sortedpairs = ECOMALLOC(pairs->count*sizeof(ppair_t),"Cannot Allocate ordered pairs");
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index=sortedpairs;
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// index=sortedpairs;
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pl=pairs->first;
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j=0;
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while(pl->next)
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@ -475,10 +470,10 @@ void printpairs (ppairtree_t pairs, poptions_t options,ecotaxonomy_t *taxonomy,
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if (options->filter_on_links)
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{
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fprintf (stderr, "Old size: %d, ", count);
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fprintf (stderr, "Old size: %ld, ", count);
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count = primers_changeSortedArray (&sortedpairs, count, options);
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//count = primers_filterWithGivenLinks (&sortedpairs, count, options);
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fprintf (stderr, "New size: %d\n", count);
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fprintf (stderr, "New size: %ld\n", count);
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if (count == 0)
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{
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@ -799,13 +794,17 @@ int main(int argc, char **argv)
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}
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}
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if (errflag) {
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ExitUsage(1);
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}
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options.pnparm = &nnparams;
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if (options.saltmethod != 2) //if not SALT_METHOD_OWCZARZY
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options.saltmethod = SALT_METHOD_SANTALUCIA; //then force SALT_METHOD_SANTALUCIA
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if (options.salt < 0.01 || options.salt > 0.3) //if salt value out of literature values
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if (options.salt < 0.01 || options.salt > 0.3) {//if salt value out of literature values
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options.salt = DEF_SALT; //set to default
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}
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nparam_InitParams(&nnparams, DEF_CONC_PRIMERS,DEF_CONC_SEQUENCES,options.salt,options.saltmethod);
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fprintf(stderr,"Reading taxonomy database ...");
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@ -851,7 +850,7 @@ int main(int argc, char **argv)
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fprintf(stderr,"\nIndexing words in sequences\n");
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words = lookforStrictPrimer(seqdb,seqdbsize,insamples,&options);
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fprintf(stderr,"\n Strict primer count : %d\n",words->size);
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fprintf(stderr,"\n Strict primer count : %lld\n",words->size);
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/*/TR Testing
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fprintf(stderr,"\nReducing for debugging\n");
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@ -871,7 +870,7 @@ int main(int argc, char **argv)
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if (options.no_multi_match)
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{
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(void)filterMultiStrictPrimer(words);
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fprintf(stderr,"\n Strict primer with single match count : %d\n",words->size);
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fprintf(stderr,"\n Strict primer with single match count : %lld\n",words->size);
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}
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@ -921,7 +920,7 @@ pwordcount_t reduce_words_to_debug (pwordcount_t words, poptions_t options)
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{
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uint32_t i, k;
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pwordcount_t new_words;
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char *rwrd;
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const char *rwrd;
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char dwrd[20];
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/*char *strict_words[DEBUG_WORDS_CNT] = {"GAGTCTCTGCACCTATCC", "GCAATCCTGAGCCAAATC", "ACCCCTAACCACAACTCA",
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"TCCGAACCGACTGATGTT", "GAAGCTTGGGTGAAACTA", "GGAGAACCAGCTAGCTCT", "GCTGGTTCTCCCCGAAAT",
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@ -981,7 +980,7 @@ pwordcount_t reduce_words_to_debug (pwordcount_t words, poptions_t options)
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void print_wordwith_positions (primer_t prm, uint32_t seqdbsize, poptions_t options)
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{
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char *wrd;
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const char *wrd;
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uint32_t i, j;
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char *twrd = "GCCTGTTTACCAAAAACA";
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@ -1,9 +1,9 @@
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MACHINE=MAC_OS_X
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LIBPATH= -LlibecoPCR -Llibecoprimer -Llibthermo
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MACHINE=LINUX
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LIBPATH= -LlibecoPCR -Llibecoprimer -Llibthermo -L/usr/local/lib
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MAKEDEPEND = gcc -D$(MACHINE) -M $(CPPFLAGS) -o $*.d $<
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CC=gcc
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CFLAGS= -W -Wall -m64 -g
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CFLAGS= -W -Wall -O5
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#CFLAGS= -W -Wall -O5 -m64 -g
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#CFLAGS= -W -Wall -O0 -m64 -g
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#CFLAGS= -W -Wall -O5 -fast -g
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@ -2,7 +2,7 @@
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#include <stdlib.h>
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static int eco_log_malloc = 0;
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static size_t eco_amount_malloc=0;
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//static size_t eco_amount_malloc=0;
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static size_t eco_chunk_malloc=0;
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void eco_trace_memory_allocation()
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@ -37,7 +37,7 @@ void *eco_malloc(int64_t chunksize,
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if (eco_log_malloc)
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fprintf(stderr,
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"Memory segment located at %p of size %d is allocated (file : %s [%d])",
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"Memory segment located at %p of size %lld is allocated (file : %s [%d])",
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chunk,
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chunksize,
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filename,
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@ -65,7 +65,7 @@ void *eco_realloc(void *chunk,
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if (!newchunk)
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{
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fprintf(stderr,"Requested memory : %d\n",newsize);
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fprintf(stderr,"Requested memory : %lld\n",newsize);
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ecoError(ECO_MEM_ERROR,error_message,filename,line);
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}
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if (!chunk)
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@ -73,7 +73,7 @@ void *eco_realloc(void *chunk,
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if (eco_log_malloc)
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fprintf(stderr,
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"Old memory segment %p is reallocated at %p with a size of %d (file : %s [%d])",
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"Old memory segment %p is reallocated at %p with a size of %lld (file : %s [%d])",
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chunk,
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newchunk,
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newsize,
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@ -21,8 +21,8 @@ typedef struct {
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int32_t taxid;
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char AC[20];
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int32_t DE_length;
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int32_t SQ_length;
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int32_t CSQ_length; /*what is this CSQ_length ? */
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uint32_t SQ_length;
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uint32_t CSQ_length; /*what is this CSQ_length ? */
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char data[1];
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@ -30,7 +30,7 @@ typedef struct {
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typedef struct {
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int32_t taxid;
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int32_t SQ_length;
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uint32_t SQ_length;
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int32_t isexample;
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char *AC;
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char *DE;
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@ -34,14 +34,11 @@ ecorankidx_t *read_rankidx(const char *filename)
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int32_t rank_index(const char* label,ecorankidx_t* ranks)
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{
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char **rep;
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fprintf(stderr,"Looking for rank -%s-... ",label);
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rep = bsearch(label,ranks->label,ranks->count,sizeof(char*),compareRankLabel);
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if (rep)
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return rep-ranks->label;
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else
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ECOERROR(ECO_NOTFOUND_ERROR,"Rank label not found");
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return -1;
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}
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@ -2,6 +2,7 @@
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#include <stdlib.h>
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#include <string.h>
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#include <zlib.h>
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#include <ctype.h>
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#include <string.h>
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#include <stdio.h>
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@ -194,7 +195,7 @@ ecoseq_t *ecoseq_iterator(const char *prefix)
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{
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static FILE *current_seq_file= NULL;
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static int32_t current_file_idx = 1;
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static char current_prefix[1024];
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static char current_prefix[1025];
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ecoseq_t *seq;
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if (prefix)
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@ -112,7 +112,7 @@ ecotx_t *readnext_ecotaxon(FILE *f,ecotx_t *taxon)
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raw->taxid = swap_int32_t(raw->taxid);
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}
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taxon->parent = (ecotx_t*)(size_t)raw->parent;
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taxon->parent = (ecotx_t*)raw->parent;
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taxon->taxid = raw->taxid;
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taxon->rank = raw->rank;
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@ -133,14 +133,14 @@ ecotaxonomy_t *read_taxonomy(const char *prefix,int32_t readAlternativeName)
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int buffsize;
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tax = ECOMALLOC(sizeof(ecotaxonomy_t),
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"Allocate taxonomy structure");
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"Allocate taxonomy structure");
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buffsize = strlen(prefix)+10;
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filename = ECOMALLOC(buffsize,
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"Allocate filename");
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"Allocate filename");
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filename2= ECOMALLOC(buffsize,
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"Allocate filename");
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"Allocate filename");
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snprintf(filename,buffsize,"%s.rdx",prefix);
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@ -153,12 +153,13 @@ ecotaxonomy_t *read_taxonomy(const char *prefix,int32_t readAlternativeName)
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if (readAlternativeName)
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{
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snprintf(filename,buffsize,"%s.ndx",prefix);
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snprintf(filename,buffsize,"%s.ndx",prefix);
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tax->names=read_nameidx(filename,tax);
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}
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else
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tax->names=NULL;
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return tax;
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}
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@ -340,6 +341,9 @@ ecotx_t *eco_getsuperkingdom(ecotx_t *taxon,
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if (taxonomy && tax!=taxonomy)
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{
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rankindex = rank_index("superkingdom",taxonomy->ranks);
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if (rankindex < 0) {
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rankindex = rank_index("domain",taxonomy->ranks);
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}
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tax=taxonomy;
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}
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@ -1139,7 +1139,7 @@ void sets_by_SimulatedAnealing (pairset *pair_set,
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{
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pair_set = extend_set_randomly (NULL, ¶ms, 3);
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printf("\nStart Random seed set for Simulated :\n");
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print_set_info (&pair_set, ¶ms);
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print_set_info (pair_set, ¶ms);
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}
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min_spc = max_spc = pair_set->set_specificity;
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min_cov = max_cov = pair_set->set_coverage;
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@ -1566,7 +1566,8 @@ int32_t *addinset (int32_t *set, int32_t i, int32_t j, int32_t* slots, int32_t *
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size_t primers_changeSortedArray (ppair_t ** pairs,
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size_t sorted_count, poptions_t options)
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{
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int32_t i, j, k, l, total_links;
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int32_t i, k, total_links;
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uint32_t j;
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int *owi;
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int *iwi;
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int allowedtaxa;
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@ -1579,14 +1580,14 @@ size_t primers_changeSortedArray (ppair_t ** pairs,
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idx_set = ECOMALLOC(slots*sizeof (int32_t),
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"Could not allocate memory for index set.");
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for (i=0; i<sorted_count; i++)
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for (i=0; ((uint32_t)i)<sorted_count; i++)
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{
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owi = sortedpairs[i]->wellIdentifiedSeqs;
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passed = FALSE;
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for (j=0; j<sorted_count; j++)
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{
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if (i == j) continue;
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if ((uint32_t)i == j) continue;
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iwi = sortedpairs[j]->wellIdentifiedSeqs;
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total_links = 0;
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@ -1610,9 +1611,10 @@ size_t primers_changeSortedArray (ppair_t ** pairs,
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if (options->max_links_percent > 0)
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{
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allowedtaxa = options->max_links_percent;
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if (total_links > allowedtaxa)
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if (total_links > allowedtaxa){
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passed = TRUE;
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break;
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}
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break;
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}
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else
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if (!(total_links > 5 && total_links <= allowedtaxa))
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@ -1630,7 +1632,7 @@ size_t primers_changeSortedArray (ppair_t ** pairs,
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for (j=0; j<sorted_count; j++)
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{
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for (k=0; k<index; k++)
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if (j == idx_set[k]) break;
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if (j == (uint32_t)(idx_set[k])) break;
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//need to remove this element
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if (k == index)
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{
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@ -1711,9 +1713,9 @@ int32_t *addinset_withLinks (int32_t *set, int32_t i, int32_t* slots, int32_t *i
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size_t primers_filterWithGivenLinks (ppair_t ** pairs,
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size_t sorted_count, poptions_t options)
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{
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int32_t i, j, k;
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int32_t i, k;
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uint32_t j;
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ppair_t *sortedpairs = *pairs;
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bool_t passed;
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int32_t *idx_set = NULL;
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int32_t slots=50, index=0;
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@ -1732,7 +1734,7 @@ size_t primers_filterWithGivenLinks (ppair_t ** pairs,
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for (j=0; j<sorted_count; j++)
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{
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for (k=0; k<index; k++)
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if (j == idx_set[k]) break;
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if (j == (uint32_t) (idx_set[k])) break;
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//need to remove this element
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if (k == index)
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{
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@ -1755,7 +1757,7 @@ size_t primers_filterWithGivenLinks (ppair_t ** pairs,
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else i=sorted_count;
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for (j=0; j<i; j++)
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for (j=0; j<(uint32_t)i; j++)
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for (k=0; k<options->dbsize; k++)
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if ((*pairs)[j]->coveredSeqs[k] == 1)
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cov[k] = 1;
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|
@ -213,7 +213,6 @@ pprimercount_t ahoc_lookforStrictPrimers (pecodnadb_t database, uint32_t seqdbsi
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char *base;
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int8_t code;
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uint32_t goodPrimers=0;
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static int iii=0;
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//inSequenceQuorum = (uint32_t)floor((float)exampleCount * options->sensitivity_quorum);
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|
@ -36,10 +36,10 @@ int32_t ManberNoErr(pecoseq_t pseq,ppattern_t pat,
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ppatternParam_t param,
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StackiPtr stkpos)
|
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{
|
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int32_t pos;
|
||||
uint32_t pos;
|
||||
uint32_t smask, r;
|
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uint8_t *data;
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int32_t end;
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uint32_t end;
|
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end = (size_t)(pseq->SQ_length);
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@ -84,11 +84,11 @@ int32_t ManberSub(pecoseq_t pseq,ppattern_t pat,
|
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StackiPtr stkpos)
|
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{
|
||||
int e, found;
|
||||
int32_t pos;
|
||||
uint32_t pos;
|
||||
uint32_t smask, cmask, sindx;
|
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uint32_t *pr, r[2 * MAX_PAT_ERR + 2];
|
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uint8_t *data;
|
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int32_t end;
|
||||
uint32_t end;
|
||||
|
||||
end = (size_t)(pseq->SQ_length);
|
||||
|
||||
|
@ -59,7 +59,7 @@ void encodeSequence(ecoseq_t *seq)
|
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data = (uint8_t*)(seq->SQ);
|
||||
cseq = seq->SQ;
|
||||
|
||||
for (i=0;i<seq->SQ_length;i++,data++,cseq++)
|
||||
for (i=0;i<(int)(seq->SQ_length);i++,data++,cseq++)
|
||||
{
|
||||
*data = encoder[(IS_UPPER(*cseq) ? *cseq : 'Z') - 'A'];
|
||||
}
|
||||
@ -201,7 +201,7 @@ pprimercount_t lookforAproxPrimer(pecodnadb_t database, uint32_t seqdbsize,uint3
|
||||
data[w].good = data[w].inexample >= inSequenceQuorum && data[w].outexample <= outSequenceQuorum;
|
||||
goodPrimers+=data[w].good? 1:0;
|
||||
|
||||
fprintf(stderr,"Primers %5d/%d analyzed => sequence : %s in %d example and %d counterexample sequences \r",
|
||||
fprintf(stderr,"Primers %5d/%lld analyzed => sequence : %s in %d example and %d counterexample sequences \r",
|
||||
i+1,words->size,ecoUnhashWord(data[w].word,options->primer_length),
|
||||
data[w].inexample,data[w].outexample);
|
||||
|
||||
@ -224,8 +224,8 @@ pprimercount_t lookforAproxPrimer(pecodnadb_t database, uint32_t seqdbsize,uint3
|
||||
ECOFREE(data[w].reversePos,"Free direct count table");
|
||||
}
|
||||
|
||||
fprintf(stderr,"\n\nOn %d analyzed primers %d respect quorum conditions\n",words->size,goodPrimers);
|
||||
fprintf(stderr,"Conserved primers for further analysis : %d/%d\n",w,words->size);
|
||||
fprintf(stderr,"\n\nOn %lld analyzed primers %d respect quorum conditions\n",words->size,goodPrimers);
|
||||
fprintf(stderr,"Conserved primers for further analysis : %d/%lld\n",w,words->size);
|
||||
|
||||
primers = ECOMALLOC(sizeof(primercount_t),"Cannot allocate memory for primer table");
|
||||
primers->primers=ECOREALLOC(data,
|
||||
|
@ -8,14 +8,6 @@
|
||||
#ifndef HASHENCODER_H_
|
||||
#define HASHENCODER_H_
|
||||
|
||||
static int8_t encoder[] = {0, // A
|
||||
-1, // b
|
||||
1, // C
|
||||
-1,-1,-1, // d, e, f
|
||||
2, // G
|
||||
-1,-1,-1,-1,-1,-1,-1,-1,-1,-1,-1,-1, // h,i,j,k,l,m,n,o,p,q,r,s
|
||||
3,3, // T,U
|
||||
-1,-1,-1,-1,-1}; // v,w,x,y,z
|
||||
|
||||
extern int8_t encoder[];
|
||||
|
||||
#endif /* HASHENCODER_H_ */
|
||||
|
@ -12,6 +12,16 @@ static int cmpword(const void *x,const void *y);
|
||||
|
||||
#include "hashencoder.h"
|
||||
|
||||
int8_t encoder[] = {0, // A
|
||||
-1, // b
|
||||
1, // C
|
||||
-1,-1,-1, // d, e, f
|
||||
2, // G
|
||||
-1,-1,-1,-1,-1,-1,-1,-1,-1,-1,-1,-1, // h,i,j,k,l,m,n,o,p,q,r,s
|
||||
3,3, // T,U
|
||||
-1,-1,-1,-1,-1}; // v,w,x,y,z
|
||||
|
||||
|
||||
uint32_t ecoWordCount(uint32_t wordsize, uint32_t circular, ecoseq_t *seq)
|
||||
{
|
||||
uint32_t wordcount;
|
||||
@ -257,6 +267,6 @@ uint32_t ecoFindWord(pwordcount_t table,word_t word)
|
||||
|
||||
char ecoComplementChar(char base)
|
||||
{
|
||||
return (base < 4)? !base & 3: 4;
|
||||
return (base < 4)? ~base & 3: 4;
|
||||
}
|
||||
|
||||
|
@ -250,8 +250,7 @@ void CursiToTop(StackiPtr stki)
|
||||
|
||||
} /* end of CursiToTop */
|
||||
|
||||
void CursiToBottom(stki)
|
||||
StackiPtr stki;
|
||||
void CursiToBottom(StackiPtr stki)
|
||||
{
|
||||
stki->cursor = 0;
|
||||
|
||||
|
@ -16,6 +16,7 @@
|
||||
|
||||
|
||||
#include "ecotype.h"
|
||||
#include <stdint.h>
|
||||
|
||||
/* ==================================================== */
|
||||
/* Constantes de dimensionnement */
|
||||
@ -85,5 +86,6 @@ bool_t SearchDownStacki (StackiPtr stki , int32_t sval );
|
||||
bool_t BinSearchStacki (StackiPtr stki , int32_t sval );
|
||||
bool_t SameStacki (StackiPtr stki1 , StackiPtr stki2 );
|
||||
bool_t ReverseStacki (StackiPtr stki );
|
||||
void CursiToBottom (StackiPtr stki );
|
||||
|
||||
#endif /* _H_libstki */
|
||||
|
@ -41,7 +41,7 @@ void ecomerge(pwordcount_t data,uint32_t s1,uint32_t s2,uint32_t remainingSeq,ui
|
||||
uint32_t currentcount,tmpcount;
|
||||
int same;
|
||||
queue_t queue;
|
||||
int nsame=0;
|
||||
// int nsame=0;
|
||||
uint32_t maxcount=0;
|
||||
bool_t writed=TRUE;
|
||||
|
||||
@ -103,7 +103,7 @@ void ecomerge(pwordcount_t data,uint32_t s1,uint32_t s2,uint32_t remainingSeq,ui
|
||||
* record if the two words in the both subtable are the same
|
||||
*/
|
||||
same = (source != S2) && (WORD(currentword) == WORD(merged.words[merged.read2]));
|
||||
nsame+=same;
|
||||
// nsame+=same;
|
||||
|
||||
// DEBUG_LOG("Merging : r1 = %d s1 = %d r2 = %d size = %d word = %s source=%u same=%u",merged.read1,s1,merged.read2-s1,merged.size,ecoUnhashWord(currentword,18),source,same)
|
||||
|
||||
|
@ -205,8 +205,8 @@ pwordcount_t lookforStrictPrimer(pecodnadb_t database, uint32_t seqdbsize,
|
||||
}
|
||||
else
|
||||
{
|
||||
uint32_t s;
|
||||
s = strictprimers->size;
|
||||
// uint32_t s;
|
||||
// s = strictprimers->size;
|
||||
// DEBUG_LOG("stack size : %u",s);
|
||||
addSeqToWordCountTable(strictprimers,options->primer_length,
|
||||
options->circular,
|
||||
@ -223,7 +223,7 @@ pwordcount_t lookforStrictPrimer(pecodnadb_t database, uint32_t seqdbsize,
|
||||
logfile = fopen(logfilename,"a");
|
||||
seconde = timeval_subtract(&(usage.ru_utime),&(start.ru_utime)) +
|
||||
timeval_subtract(&(usage.ru_stime),&(start.ru_stime));
|
||||
fprintf(logfile,"%d\t%llu\t%lu\t%8.3f\t%8.3e\n",i,
|
||||
fprintf(logfile,"%d\t%llu\t%llu\t%8.3f\t%8.3e\n",i,
|
||||
(long long unsigned)totallength,
|
||||
strictprimers->size*(sizeof(int64_t)+sizeof(int32_t)),
|
||||
seconde,seconde/(double)totallength);
|
||||
@ -248,9 +248,9 @@ pwordcount_t lookforStrictPrimer(pecodnadb_t database, uint32_t seqdbsize,
|
||||
sizeof(word_t)*strictprimers->size,
|
||||
"Cannot reallocate strict primer table");
|
||||
|
||||
if (neededWords)
|
||||
if (neededWords){
|
||||
ECOFREE(neededWords,"Clean needed word table");
|
||||
|
||||
}
|
||||
//TR: Somehow for some primers strictcount value is extremely large hence invalid
|
||||
//we need to remove these primers from the list
|
||||
j = strictprimers->size+1;
|
||||
|
@ -231,8 +231,8 @@ static int cmpamp(const void *ampf1, const void* ampf2)
|
||||
char cd1;
|
||||
char cd2;
|
||||
int len = 0;
|
||||
char *ch1;
|
||||
char *ch2;
|
||||
const char *ch1;
|
||||
const char *ch2;
|
||||
int incr1;
|
||||
int incr2;
|
||||
|
||||
|
@ -17,6 +17,15 @@
|
||||
|
||||
double forbidden_entropy;
|
||||
|
||||
char bpencoder[] = { 1, // A
|
||||
0, // b
|
||||
2, // C
|
||||
0,0,0, // d, e, f
|
||||
3, // G
|
||||
0,0,0,0,0,0,0,0,0,0,0,0, // h,i,j,k,l,m,n,o,p,q,r,s
|
||||
4,0, // T,U
|
||||
0,0,0,0,0}; // v,w,x,y,z
|
||||
|
||||
|
||||
double nparam_GetInitialEntropy(PNNParams nparm)
|
||||
{
|
||||
@ -470,7 +479,7 @@ int nparam_CountGCContent(char * seq ) {
|
||||
return count;
|
||||
}
|
||||
|
||||
void nparam_CleanSeq (char* inseq, char* outseq, int len)
|
||||
void nparam_CleanSeq (const char* inseq, char* outseq, int len)
|
||||
{
|
||||
int seqlen = strlen (inseq);
|
||||
int i, j;
|
||||
@ -508,7 +517,7 @@ void nparam_CleanSeq (char* inseq, char* outseq, int len)
|
||||
}
|
||||
|
||||
//Calculate TM for given sequence against its complement
|
||||
double nparam_CalcSelfTM(PNNParams nparm, char* seq, int len)
|
||||
double nparam_CalcSelfTM(PNNParams nparm, const char* seq, size_t len)
|
||||
{
|
||||
double thedH = 0;
|
||||
//double thedS = nparam_GetInitialEntropy(nparm);
|
||||
@ -520,7 +529,7 @@ double nparam_CalcSelfTM(PNNParams nparm, char* seq, int len)
|
||||
char c4;
|
||||
unsigned int i;
|
||||
char nseq[50];
|
||||
char *useq = seq;
|
||||
const char *useq = seq;
|
||||
|
||||
nparam_CleanSeq (seq, nseq, len);
|
||||
useq = nseq;
|
||||
@ -533,7 +542,7 @@ double nparam_CalcSelfTM(PNNParams nparm, char* seq, int len)
|
||||
c4 = GETNUMCODE(useq[i]);
|
||||
|
||||
|
||||
thedH += nparm->dH[c3][c4][c1][c2];//nparam_GetEnthalpy(nparm, c3,c4,c1,c2);
|
||||
thedH += nparm->dH[(uint8_t) c3][(uint8_t)c4][(uint8_t)c1][(uint8_t)c2];//nparam_GetEnthalpy(nparm, c3,c4,c1,c2);
|
||||
thedS += nparam_GetEntropy(nparm, c3,c4,c1,c2);
|
||||
}
|
||||
//printf("------------------\n");
|
||||
@ -543,7 +552,7 @@ double nparam_CalcSelfTM(PNNParams nparm, char* seq, int len)
|
||||
return mtemp;
|
||||
}
|
||||
|
||||
double nparam_CalcTwoTM(PNNParams nparm, char* seq1, char* seq2, int len)
|
||||
double nparam_CalcTwoTM(PNNParams nparm, const char* seq1, const char* seq2, size_t len)
|
||||
{
|
||||
double thedH = 0;
|
||||
//double thedS = nparam_GetInitialEntropy(nparm);
|
||||
@ -575,7 +584,7 @@ double nparam_CalcTwoTM(PNNParams nparm, char* seq1, char* seq2, int len)
|
||||
|
||||
//fprintf (stderr,"Primer : %s %f %f %d %d, %d %d %f\n",useq,thedH,thedS,(int)c3,(int)c4,(int)c1,(int)c2,nparam_GetEnthalpy(nparm, c3,c4,c1,c2));
|
||||
|
||||
thedH += nparm->dH[c3][c4][c1][c2];//nparam_GetEnthalpy(nparm, c3,c4,c1,c2);
|
||||
thedH += nparm->dH[(uint8_t)c3][(uint8_t)c4][(uint8_t)c1][(uint8_t)c2];//nparam_GetEnthalpy(nparm, c3,c4,c1,c2);
|
||||
thedS += nparam_GetEntropy(nparm, c3,c4,c1,c2);
|
||||
}
|
||||
//fprintf(stderr,"------------------\n");
|
||||
|
@ -13,11 +13,13 @@
|
||||
|
||||
#include <math.h>
|
||||
#include <string.h>
|
||||
#include <stdint.h>
|
||||
|
||||
//#include "../libecoprimer/ecoprimer.h"
|
||||
|
||||
// following defines to simplify coding...
|
||||
#define ndH(a,b,c,d) nparm->dH[a][b][c][d]
|
||||
#define ndS(a,b,c,d) nparm->dS[a][b][c][d]
|
||||
#define ndH(a,b,c,d) nparm->dH[(uint8_t) a][(uint8_t) b][(uint8_t) c][(uint8_t) d]
|
||||
#define ndS(a,b,c,d) nparm->dS[(uint8_t) a][(uint8_t) b][(uint8_t) c][(uint8_t) d]
|
||||
#define forbidden_enthalpy 1000000000000000000.0f
|
||||
#define R 1.987f
|
||||
#define SALT_METHOD_SANTALUCIA 1
|
||||
@ -33,14 +35,7 @@
|
||||
|
||||
extern double forbidden_entropy;
|
||||
|
||||
static char bpencoder[] = { 1, // A
|
||||
0, // b
|
||||
2, // C
|
||||
0,0,0, // d, e, f
|
||||
3, // G
|
||||
0,0,0,0,0,0,0,0,0,0,0,0, // h,i,j,k,l,m,n,o,p,q,r,s
|
||||
4,0, // T,U
|
||||
0,0,0,0,0}; // v,w,x,y,z
|
||||
extern char bpencoder[]; // v,w,x,y,z
|
||||
|
||||
|
||||
typedef struct CNNParams_st
|
||||
@ -62,8 +57,8 @@ int nparam_CountGCContent(char * seq );
|
||||
double nparam_GetEntropy(PNNParams nparm, char x0, char x1, char y0, char y1);
|
||||
double nparam_GetEnthalpy(PNNParams nparm, char x0, char x1, char y0, char y1);
|
||||
double nparam_CalcTM(double entropy,double enthalpy);
|
||||
double nparam_CalcSelfTM(PNNParams nparm, char* seq, int len);
|
||||
double nparam_CalcTwoTM(PNNParams nparm, char* seq1, char* seq2, int len);
|
||||
double nparam_CalcSelfTM(PNNParams nparm, const char* seq, size_t len);
|
||||
double nparam_CalcTwoTM(PNNParams nparm, const char* seq1, const char* seq2, size_t len);
|
||||
|
||||
double nparam_GetInitialEntropy(PNNParams nparm) ;
|
||||
double calculateMeltingTemperatureBasic (char * seq);
|
||||
|
@ -28,17 +28,15 @@ word_t extractSite(char* sequence, size_t begin, size_t length, bool_t strand)
|
||||
|
||||
void getThermoProperties (ppair_t* pairs, size_t count, poptions_t options)
|
||||
{
|
||||
size_t i, j,k,l;
|
||||
size_t i, j;
|
||||
uint32_t bp1,bp2;
|
||||
uint32_t ep1,ep2;
|
||||
word_t w1;
|
||||
word_t w2;
|
||||
bool_t strand;
|
||||
|
||||
char *sq,*sq1,*sq2,*c;
|
||||
char *sq;
|
||||
char prmrd[50];
|
||||
char prmrr[50];
|
||||
char sqsite[50];
|
||||
double mtemp;
|
||||
|
||||
for (i = 0; i < count; i++)
|
||||
|
File diff suppressed because it is too large
Load Diff
Reference in New Issue
Block a user