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Committed thermostats.c

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git-svn-id: https://www.grenoble.prabi.fr/svn/LECASofts/ecoPrimers/trunk@226 60f365c0-8329-0410-b2a4-ec073aeeaa1d
This commit is contained in:
Eric Coissac
2009-07-17 22:11:40 +00:00
parent ba26734e9b
commit b625941d72
1 changed files with 64 additions and 0 deletions
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src/libthermo/thermostats.c Normal file
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#include <stdio.h>
#include <string.h>
#include <ctype.h>
#include <stdlib.h>
#include "thermostats.h"
void getThermoProperties (ppair_t* pairs, size_t count, poptions_t options)
{
size_t i, j;
uint32_t begin;
uint32_t end;
word_t w1;
word_t w2;
char *sq;
char prmr[50];
float mtemp;
for (i = 0; i < count; i++)
{
w1 = pairs[i]->p1->word;
w2 = pairs[i]->p2->word;
if (!pairs[i]->asdirect1)
w1=ecoComplementWord(w1,options->primer_length);
if (!pairs[i]->asdirect2)
w2=ecoComplementWord(w2,options->primer_length);
pairs[i]->p1temp = nparam_CalcSelfTM (options->pnparm, ecoUnhashWord(w1, options->primer_length), 0) - 273.0;
pairs[i]->p2temp = nparam_CalcSelfTM (options->pnparm, ecoUnhashWord(w2, options->primer_length), 0) - 273.0;
pairs[i]->p1mintemp = 100;
pairs[i]->p2mintemp = 100;
for (j = 0; j < pairs[i]->pcr.ampcount; j++)
{
sq = pairs[i]->pcr.amplifias[j].sequence->SQ;
begin = pairs[i]->pcr.amplifias[j].begin - options->primer_length;
end = pairs[i]->pcr.amplifias[j].end + 1;
memcpy (prmr, sq + begin, options->primer_length);
mtemp = nparam_CalcSelfTM (options->pnparm, prmr, options->primer_length) - 273.0;
if (mtemp < pairs[i]->p1mintemp)
pairs[i]->p1mintemp = mtemp;
//fprintf (stderr, "prmr1: %s\n", seqdb[seqid]->SQ);
memcpy (prmr, sq + end, options->primer_length);
mtemp = nparam_CalcSelfTM (options->pnparm, prmr, options->primer_length) - 273.0;
if (mtemp < pairs[i]->p2mintemp)
pairs[i]->p2mintemp = mtemp;
}
if (w2 < w1)
{
mtemp = pairs[i]->p1temp;
pairs[i]->p1temp = pairs[i]->p2temp;
pairs[i]->p2temp = mtemp;
mtemp = pairs[i]->p1mintemp;
pairs[i]->p1mintemp = pairs[i]->p2mintemp;
pairs[i]->p2mintemp = mtemp;
}
}
}