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#include "SafeVector.h"
#include <iostream>
#include <string.h>
#include <stdlib.h>
#include <math.h>
#include <time.h>
#include <stdio.h>
#include <ctype.h>
#include <assert.h>
#define TRACE 0 // 0: NOTRACE 1: TRACE
//proba like settings
#define endgaps 1 // 1: engap penaties enabled 0: disabled
#define PART_FULL_MEMORY 0 //0: LOW MEM OPTION
#define REVPART_FULL_MEMORY 0 //0: LOW MEM OPTION
using namespace std;
///////////////////////////////////////////////////////////////////////////////////////////////////
//
// stochastic alignment modules : PostProbs.cc
//
// Version : Nov 2010
// ---------------------------
//
// Updates:
// scoring matrix module relocated, replaced by static matrices
// Low memory integration of posterior probability module
// and reverse partition function implemented
//
// Satish Chikkagoudar, Dept of CS, NJIT 2005-06
////////////////////////////////////////////////////////////////////////////////////////////////////////////
typedef struct {
char input[30];
int matrix;
int N;
float T;
float beta;
char opt; //can be 'P' or 'M'
float gapopen;
float gapext;
} argument_decl;
typedef struct sequence {
char *title;
char *text;
int length;
} fasta;
typedef struct alignment {
char *title;
char *text;
int length;
} align;
fasta sequences[2];
char proteins[20];
int dna[4];
int prob_flag;
float termgapopen, termgapextend;
float *hydro_seq1, *hydro_seq2;
////////////////////////////////////////////////////////
//externs related to scoring matrix and input arguments
///////////////////////////////////////////////////////////
extern float g_gap_open1, g_gap_open2, g_gap_ext1, g_gap_ext2;
extern char aminos[26], matrixtype[20], bases[26];
extern float sub_matrix[26][26];
extern float scorez_matrix[26][26];
extern int subst_index[26];
extern float TEMPERATURE;
extern int MATRIXTYPE;
extern float GAPOPEN;
extern float GAPEXT;
extern argument_decl argument;
//////////////////////////////////////////////////////////
//rest of the structures
//////////////////////////////////////////////////////////
int number_of_sequences = 0;
int monomers = 0;
float beta_ln;
int DNA_flag = 0; //input is (0:protein 1: DNA)
//////////////////////////////////////////////////////////////////////////////
//calculates reverse partition function values based on z matrices
//and also simulaneously calculates the propability of each basepair
//or aminoacid residue pair i,j
//////////////////////////////////////////////////////////////////////////////
VF *revers_partf(long double **Zfm, float d, float e, float beta)
{
// printf("revpart\n");
//rest of the declarations
int i, j;
long double **Zm = NULL;
long double **Ze = NULL;
long double **Zf = NULL;
int len0, len1;
float probability;
long double tempvar;
float open0, extend0, open1, extend1;
open0 = open1 = d;
extend0 = extend1 = e;
const long double beta_d = exp(beta * d);
const long double beta_e = exp(beta * e);
long double beta_open0 = exp(beta * open0);
long double beta_open1 = exp(beta * open1);
long double beta_extend0 = exp(beta * extend0);
long double beta_extend1 = exp(beta * extend1);
int Si, Tj;
float endgapopen, endgapextend;
FILE *fo;
//Init lengths of sequences
len0 = strlen(sequences[0].text);
len1 = strlen(sequences[1].text);
//Safe vector declared
VF *posteriorPtr = new VF((len0 + 1) * (len1 + 1));
VF & posterior = *posteriorPtr;
VF::iterator ptr = posterior.begin();
if (TRACE) //open the trace file
fo = fopen("revpartdump", "a");
//default:
endgapopen = termgapopen;
endgapextend = termgapextend;
const long double beta_endgapopen = exp(beta * endgapopen);
const long double beta_endgapextend = exp(beta * endgapextend);
//instantiate the z matrix
if (REVPART_FULL_MEMORY)
{
Ze = new long double *[sequences[1].length + 1];
Zf = new long double *[sequences[1].length + 1];
Zm = new long double *[sequences[1].length + 1];
if (TRACE)
printf("\n\n %e %e\n", d, e);
//DYNAMICALLY GROW 2D Zm Zf Ze MARICES (long double)
for (i = 0; i <= sequences[1].length; i++)
{
Ze[i] = new long double[sequences[0].length + 1];
Zf[i] = new long double[sequences[0].length + 1];
Zm[i] = new long double[sequences[0].length + 1];
}
}
else
{
Zm = new long double *[2];
Ze = new long double *[2];
Zf = new long double *[2];
for (i = 0; i <= 1; i++)
{
Zm[i] = new long double[sequences[0].length + 1];
Ze[i] = new long double[sequences[0].length + 1];
Zf[i] = new long double[sequences[0].length + 1];
}
}
if (TRACE)
{
printf("in rev partf---");
printf("\n\n");
}
if (REVPART_FULL_MEMORY)
{
for (i = 0; i <= len1; i++)
for (j = 0; j <= len0; j++)
{
Zm[i][j] = 0.0;
Zf[i][j] = 0.0;
Ze[i][j] = 0.0;
}
}
else
{
for (j = 0; j <= len0; j++)
{
Zm[0][j] = 0;
Zf[0][j] = 0;
Ze[0][j] = 0;
Zf[1][j] = 0;
Ze[1][j] = 0;
Zm[1][j] = 0;
}
}
//fill the probability matrix with 0s
for (i = 0; i <= len1; i++)
for (j = 0; j <= len0; j++)
ptr[j * (len1 + 1) + i] = 0;
if (endgaps == 0)
{
Zm[len1][len0] = 1;
Ze[len1][len0] = Zf[len1][len0] = 0;
Zf[len1 - 1][len0] = Zm[len1][len0] * beta_d;
Ze[len1][len0 - 1] = Zm[len1][len0] * beta_d;
//>=2ND ROW INIT
if (REVPART_FULL_MEMORY)
{
for (i = len1 - 2; i >= 0; i--)
{
Zf[i][len0] = Zf[i + 1][len0] * beta_e;
}
}
//>=2ND COL INIT
if (REVPART_FULL_MEMORY)
{
for (j = len0 - 2; j >= 0; j--)
{
Ze[len1][j] = Ze[len1][j + 1] * beta_e;
}
}
else
{
for (j = len0 - 2; j >= 0; j--)
{
Ze[0][j] = Ze[0][j + 1] * beta_e;
}
}
}
else
{
if (REVPART_FULL_MEMORY)
{
Zm[len1][len0] = 1;
Ze[len1][len0] = Zf[len1][len0] = 0;
Zf[len1 - 1][len0] = Zm[len1][len0] * beta_endgapopen;
Ze[len1][len0 - 1] = Zm[len1][len0] * beta_endgapopen;
//>=2ND ROW INIT
for (i = len1 - 2; i >= 0; i--)
{
Zf[i][len0] = Zf[i + 1][len0] * beta_endgapextend;
}
//M Iy= d+j*e
//>=2ND COL INIT
for (j = len0 - 2; j >= 0; j--)
{
Ze[len1][j] = Ze[len1][j + 1] * beta_endgapextend;
}
}
else
{
//in Zm
//let:
// Zm(0) be the current row being filled/computed
// Zm(1) be the previous row
Zm[1][len0] = 1;
Ze[0][len0] = Zf[0][len0] = 0;
Zf[1][len0] = Zm[1][len0] * beta_endgapopen;
Ze[0][len0 - 1] = Zm[1][len0] * beta_endgapopen;
//>=2ND COL INIT
for (j = len0 - 2; j >= 0; j--)
{
Ze[0][j] = Ze[0][j + 1] * beta_endgapextend;
}
} //END ELSE
} //END FULL MEMORY and GAP enablement IF STATEMENT
long double zz = 0;
long double beta_scorez;
for (i = len1 - 1; i >= 0; i--)
{
for (j = len0 - 1; j >= 0; j--)
{
Si = subst_index[sequences[1].text[i] - 'A'];
Tj = subst_index[sequences[0].text[j] - 'A'];
// scorez = sub_matrix[Si][Tj];
beta_scorez = scorez_matrix[Si][Tj];
//endgaps modification aug 10
// float open0, extend0, open1, extend1;
// open0 = open1 = d;
// extend0 = extend1 = e;
beta_open0 = beta_d;
beta_extend0 = beta_e;
beta_open1 = beta_d;
beta_extend1 = beta_e;
if (endgaps == 1)
{
//check to see if one of the 2 sequences or both reach the end
if (i == 0)
{
// open0 = endgapopen;
// extend0 = endgapextend;
beta_open0 = beta_endgapopen;
beta_extend0 = beta_endgapextend;
}
if (j == 0)
{
// open1 = endgapopen;
// extend1 = endgapextend;
beta_open1 = beta_endgapopen;
beta_extend1 = beta_endgapextend;
}
}
if (REVPART_FULL_MEMORY)
{
//z computation
Ze[i][j] =
Zm[i][j + 1] * beta_open0 + Ze[i][j +
1] *
beta_extend0;
Zf[i][j] =
Zm[i + 1][j] * beta_open1 + Zf[i +
1][j] *
beta_extend1;
Zm[i][j] =
(Zm[i + 1][j + 1] + Zf[i + 1][j + 1] +
Ze[i + 1][j + 1]) * beta_scorez;
zz = Zm[i][j] + Zf[i][j] + Ze[i][j];
}
else
{
//2 ROW zE zF ALGORITHM GOES...:
//Ze[1][j] =Zm[i][j + 1] * exp(beta * open0) + Ze[1][j + 1] *exp(beta * extend0);
//Zf[1][j] = Zm[i + 1][j] * exp(beta * open1) + Zf[0][j] * exp(beta * extend1);
//Zm[i][j] = (Zm[i + 1][j + 1] + Zf[0][j + 1] + Ze[0][j + 1]) * exp(beta * scorez);
//zz = Zm[0][j] + Zf[1][j] + Ze[1][j];
//lowmem code for merging probability calculating module
//Here we make use of Zm as a 2 row matrix
Zf[1][j] =
Zm[1][j] * beta_open1 +
Zf[0][j] * beta_extend1;
Ze[1][j] =
Zm[0][j + 1] * beta_open0 + Ze[1][j + 1] * beta_extend0;
Zm[0][j] = (Zm[1][j + 1] + Zf[0][j + 1] + Ze[0][j + 1]) * beta_scorez;
tempvar = Zfm[i + 1][j + 1] * Zm[0][j];
//divide P(i,j) i.e. pairwise probability by denominator
tempvar /= (beta_scorez * Zfm[0][0]);
probability = (float) tempvar;
//store only noticable probabilities
//Usman Dec 1st 2010: Not doing the above anymore. Store all probabilities.
{
//algorithm goes...
//validprob[i + 1][j + 1] = probability;
ptr[(j + 1) * (len1 + 1) + (i + 1)] = probability;
}
//lowmem code ends here
}
} //end of for
if (REVPART_FULL_MEMORY == 0)
{
for (int t = 0; t <= sequences[0].length; t++)
{
Ze[0][t] = Ze[1][t];
Ze[1][t] = 0;
Zf[0][t] = Zf[1][t];
Zf[1][t] = 0;
Zm[1][t] = Zm[0][t];
Zm[0][t] = 0;
}
Zf[0][len0] = 1;
}
} //end of for
if(TRACE)
{
printf("\n\nrM:....\n\n");
if (REVPART_FULL_MEMORY)
{
for (i = 0; i <= len1; i++)
{
for (j = 0; j <= len0; j++)
printf("%.2Le ", Zm[i][j]);
printf("\n");
}
printf("\n\nrE:....\n\n");
for (i = 0; i <= len1; i++)
{
for (j = 0; j <= len0; j++)
printf("%.2Le ", Ze[i][j]);
printf("\n");
}
printf("\n\nrF:....\n\n");
for (i = 0; i <= len1; i++)
{
for (j = 0; j <= len0; j++)
printf("%.2Le ", Zf[i][j]);
printf("\n");
}
}
}
if (TRACE)
{
fprintf(fo, "\n");
fclose(fo);
}
//delete unused memory
if (REVPART_FULL_MEMORY)
{
for (i = 0; i <= len1; i++)
{
delete(Zm[i]);
delete(Zf[i]);
delete(Ze[i]);
}
}
else
{
delete(Zf[0]);
delete(Ze[0]);
delete(Zm[0]);
delete(Zm[1]);
delete(Zf[1]);
delete(Ze[1]);
}
for (i = 0; i <= len1; i++)
{
delete(Zfm[i]);
}
if (Zf != NULL)
delete(Zf);
if (Ze != NULL)
delete(Ze);
if (Zm != NULL)
delete(Zm);
if (Zfm != NULL)
delete(Zfm);
posterior[0] = 0;
return (posteriorPtr);
}
//////////////////////////////////////////////////////////////
//forward partition function
/////////////////////////////////////////////////////////////
long double **partf(float d, float e, float beta)
{
//printf("partf\n");
int i, j, len1, len0;
long double **Zm = NULL, **Zf = NULL, **Ze = NULL, zz = 0;
float endgapopen, endgapextend;
//default:
endgapopen = termgapopen;
endgapextend = termgapextend;
float open0, extend0, open1, extend1;
open0 = open1 = d;
extend0 = extend1 = e;
const long double beta_d = exp(beta * d);
const long double beta_e = exp(beta * e);
long double beta_open0 = exp(beta * open0);
long double beta_open1 = exp(beta * open1);
long double beta_extend0 = exp(beta * extend0);
long double beta_extend1 = exp(beta * extend1);
const long double beta_endgapopen = exp(beta * endgapopen);
const long double beta_endgapextend = exp(beta * endgapextend);
//the flag endgaps is set at the #define section
if (PART_FULL_MEMORY)
{
Zf = new long double *[sequences[1].length + 1];
Ze = new long double *[sequences[1].length + 1];
Zm = new long double *[sequences[1].length + 1];
//comment
if (TRACE)
printf("\nPARTF:====\n");
//DYNAMICALLY GROW 2D M,IX,IY,PIX,PIY MARICES
for (i = 0; i <= sequences[1].length; i++)
{
Zf[i] = new long double[sequences[0].length + 1];
Ze[i] = new long double[sequences[0].length + 1];
Zm[i] = new long double[sequences[0].length + 1];
}
}
else
{
Zm = new long double *[sequences[1].length + 1];
Ze = new long double *[2];
Zf = new long double *[2];
for (i = 0; i <= sequences[1].length; i++)
{
Zm[i] = new long double[sequences[0].length + 1];
}
Ze[0] = new long double[sequences[0].length + 1];
Zf[0] = new long double[sequences[0].length + 1];
Ze[1] = new long double[sequences[0].length + 1];
Zf[1] = new long double[sequences[0].length + 1];
}
len0 = strlen(sequences[0].text);
len1 = strlen(sequences[1].text);
if (PART_FULL_MEMORY)
{
for (i = 0; i <= sequences[1].length; i++)
for (j = 0; j <= sequences[0].length; j++)
{
Zm[i][j] = 0.00;
Zf[i][j] = 0.00;
Ze[i][j] = 0.00;
}
}
else
{
for (i = 0; i <= len1; i++)
{
for (j = 0; j <= len0; j++)
{
Zm[i][j] = 0;
}
}
for (j = 0; j <= len0; j++)
{
Zf[0][j] = 0;
Ze[0][j] = 0;
Zf[1][j] = 0;
Ze[1][j] = 0;
}
}
//INTITIALIZE THE DP
if (endgaps == 0)
{
Zm[0][0] = 1.00;
Zf[0][0] = Ze[0][0] = 0;
Zf[1][0] = Zm[0][0] * beta_d;
Ze[0][1] = Zm[0][0] * beta_d;
//>=2ND ROW INIT
if (PART_FULL_MEMORY)
{
for (i = 2; i <= sequences[1].length; i++)
{
Zf[i][0] = Zf[i - 1][0] * beta_e;
}
}
//>=2ND COL INIT
for (j = 2; j <= sequences[0].length; j++)
{
Ze[0][j] = Ze[0][j - 1] * beta_e;
}
}
else
{
//init z
Zm[0][0] = 1.00;
Zf[0][0] = Ze[0][0] = 0;
Zf[1][0] = Zm[0][0] * beta_endgapopen;
Ze[0][1] = Zm[0][0] * beta_endgapopen;
//>=2ND ROW INIT
if (PART_FULL_MEMORY)
{
for (i = 2; i <= sequences[1].length; i++)
{
Zf[i][0] = Zf[i - 1][0] * beta_endgapextend;
}
}
//>=2ND COL INIT
for (j = 2; j <= sequences[0].length; j++)
{
Ze[0][j] = Ze[0][j - 1] * beta_endgapextend;
}
}
//1ST ROW/COL INIT
int Si, Tj;
long double beta_score;
for (i = 1; i <= sequences[1].length; i++)
{
for (j = 1; j <= sequences[0].length; j++)
{
Si = subst_index[sequences[1].text[i - 1] - 'A'];
Tj = subst_index[sequences[0].text[j - 1] - 'A'];
// score = sub_matrix[Si][Tj];
beta_score = scorez_matrix[Si][Tj];
beta_open0 = beta_d;
beta_extend0 = beta_e;
beta_open1 = beta_d;
beta_extend1 = beta_e;
if (endgaps == 1)
{
//check to see if one of the 2 sequences or both reach the end
if (i == sequences[1].length)
{
// open0 = endgapopen;
// extend0 = endgapextend;
beta_open0 = beta_endgapopen;
beta_extend0 = beta_endgapextend;
}
if (j == sequences[0].length)
{
// open1 = endgapopen;
// extend1 = endgapextend;
beta_open1 = beta_endgapopen;
beta_extend1 = beta_endgapextend;
}
}
//
//z computation using open and extend temp vars
//open0 is gap open in seq0 and open1 is gap open in seq1
//entend0 is gap extend in seq0 and extend1 is gap extend in seq1
if (PART_FULL_MEMORY)
{
Ze[i][j] =
Zm[i][j - 1] * beta_open0 + Ze[i][j - 1] *
beta_extend0;
if (Ze[i][j] >= HUGE_VALL)
{
printf("ERROR: huge val error for Ze\n");
exit(1);
}
Zf[i][j] =
Zm[i - 1][j] * beta_open1 + Zf[i - 1][j] *
beta_extend1;
if (Zf[i][j] >= HUGE_VALL)
{
printf("ERROR: huge val error for Zf\n");
exit(1);
}
Zm[i][j] =
(Zm[i - 1][j - 1] + Ze[i - 1][j - 1] +
Zf[i - 1][j - 1]) * beta_score;
if (Zm[i][j] >= HUGE_VALL)
{
printf("ERROR: huge val error for Zm\n");
exit(1);
}
zz = Zm[i][j] + Ze[i][j] + Zf[i][j];
}
else
{
Ze[1][j] =
Zm[i][j - 1] * beta_open0 + Ze[1][j - 1] *
beta_extend0;
if (Ze[1][j] >= HUGE_VALL)
{
printf("ERROR: huge val error for zE\n");
exit(1);
}
Zf[1][j] =
Zm[i - 1][j] * beta_open1 +
Zf[0][j] * beta_extend1;
if (Zf[1][j] >= HUGE_VALL)
{
printf("ERROR: huge val error for zF\n");
exit(1);
}
Zm[i][j] = (Zm[i - 1][j - 1] + Ze[0][j - 1] + Zf[0][j - 1]) * beta_score;
if (Zm[i][j] >= HUGE_VALL)
{
printf("ERROR: huge val error for zM\n");
exit(1);
}
zz = Zm[i][j] + Ze[1][j] + Zf[1][j];
}
}
//end for
if (!PART_FULL_MEMORY)
{
for (int t = 0; t <= sequences[0].length; t++)
{
Ze[0][t] = Ze[1][t];
Ze[1][t] = 0;
Zf[0][t] = Zf[1][t];
Zf[1][t] = 0;
}
Zf[1][0] = 1;
}
}
//end for
//store the sum of zm zf ze (m,n)s in zm's 0,0 th position
Zm[0][0] = zz;
if (TRACE)
{
//debug code aug 3
//print the 3 Z matrices namely Zm Zf and Ze
printf("\n\nFINAL Zm:\n");
for (i = 0; i <= sequences[1].length; i++)
{
for (j = 0; j <= sequences[0].length; j++)
printf("%.2Le ", Zm[i][j]);
printf("\n");
}
printf("FINAL Zf \n");
for (i = 0; i <= sequences[1].length; i++)
{
for (j = 0; j <= sequences[0].length; j++)
printf("%.2Le ", Zf[i][j]);
printf("\n");
}
printf("FINAL Ze \n");
for (i = 0; i <= sequences[1].length; i++)
{
for (j = 0; j <= sequences[0].length; j++)
printf("%.2Le ", Ze[i][j]);
printf("\n");
}
//end debug dump code
}
if (PART_FULL_MEMORY)
{
for (i = 0; i <= sequences[1].length; i++)
{
delete(Zf[i]);
delete(Ze[i]);
}
}
else
{
delete(Zf[0]);
delete(Ze[0]);
delete(Zf[1]);
delete(Ze[1]);
}
delete(Zf);
delete(Ze);
return Zm;
} //end of forward partition function
/////////////////////////////////////////////////////////////////////////////////////////
//entry point (was the main function) , returns the posterior probability safe vector
////////////////////////////////////////////////////////////////////////////////////////
VF *ComputePostProbs(int a, int b, string seq1, string seq2)
{
//printf("probamod\n");
float gap_open = -22, gap_ext = -1, beta = .2;
int stock_loop = 1;
int le = 160;
//init and parse the arguments
termgapopen = 0.0;
termgapextend = 0.0;
sequences[0].length = strlen((char *) seq1.c_str());
sequences[0].text = (char *) seq1.c_str();
sequences[0].title = new char[10];
strcpy(sequences[0].title, "seq0");
sequences[1].length = strlen((char *) seq2.c_str());
sequences[1].text = (char *) seq2.c_str();
sequences[1].title = new char[10];
strcpy(sequences[1].title, "seq1");
if (TRACE)
{
printf("%d %d %s\n%d %d %s\n--\n", a, sequences[0].length,
sequences[0].text, b, sequences[1].length,
sequences[1].text);
printf("after init\n");
FILE *dump1 = fopen("dump1", "a");
fprintf(dump1, "%d %d %s\n%d %d %s\n--\n", a, sequences[0].length,
sequences[0].text, b, sequences[1].length,
sequences[1].text);
fclose(dump1);
}
gap_open = argument.gapopen;
gap_ext = argument.gapext;
stock_loop = argument.N;
le = argument.matrix;
beta = argument.beta;
if (TRACE)
printf("%f %f %f %d\n", gap_open, gap_ext, beta, le);
//call for calculating the posterior probabilities
// 1. call partition function partf
// 2. calculate revpartition using revers_parf
// 3. calculate probabilities
/// MODIFICATION... POPULATE SAFE VECTOR
long double **MAT1;
MAT1 = partf(gap_open, gap_ext, beta);
return revers_partf(MAT1, gap_open, gap_ext, beta);
}
//end of posterior probability module
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