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#include <stdio.h>
#include <float.h>
#include <string.h>
#include "dna_utils.h"
#include "misc.h"
#include "base_comp.h"
#include "edge.h"
int
Plot_Base_Comp(int win_len,
int *score,
char *seq,
int seq_len,
int user_start,
int user_end,
int *match,
int *max_match)
{
int i;
int cnt = 0;
int front, back;
int half_span;
int pos;
(*max_match) = -1;
half_span = win_len / 2;
/*
* do the left hand edge
*/
for (i = 0, pos = -half_span; i < win_len; i++, pos++) {
cnt += score[char_lookup[(unsigned int)seq[i]]];
if (pos >= 0)
match[pos] = cnt;
if (cnt > (*max_match))
(*max_match) = cnt;
/*
printf("1 i %d i %d cnt %d\n", i, i-half_span, match[i-half_span]);
*/
}
/*
* do the rest by subtracting the score from the back edge and adding the
* score of the front edge of the sliding window
*/
for (i = win_len; i < seq_len; i++, pos++) {
front = i;
back = i - win_len;
cnt += score[char_lookup[(unsigned int)seq[front]]] -
score[char_lookup[(unsigned int)seq[back]]];
match[pos] = cnt;
/*printf("2f %d b %d pos %d cnt %d %c\n", front, back, pos, match[pos], seq[back]);*/
if (cnt > (*max_match))
(*max_match) = cnt;
}
for (i = seq_len - win_len; i < seq_len - half_span; i++, pos++) {
cnt -= score[char_lookup[(unsigned int)seq[i]]];
match[pos] = cnt;
/*printf("3f i %d pos %d cnt %d %c\n", i, pos, match[pos], seq[i]); */
}
return 0;
}
int
get_base_comp_res(char seq[], int seq_length,
int window_length, /* sum over all windows this length */
int user_start, /* seq start numbering from 1 */
int user_end, /* seq end numbering from 1 */
double score[], /* score for each base type */
double result[], /* put results here */
double *min, /* min result */
double *max) /* max result */
{
int edge_length, middle, front_edge, back_edge, start, end, i;
char *edge;
*max = -1;
*min = DBL_MAX;
/* note well: results always start at results[0] */
/* quick sanity checks */
if ( ( window_length % 2 ) == 0 ) return -1;
if ( user_start < 1 ) return -1;
if ( user_end > seq_length ) return -1;
if ( window_length > (user_end - user_start + 1) ) return -1;
start = user_start - 1;
end = user_end - 1;
/* left end game */
edge = seq_left_end ( seq, seq_length, start, window_length, 1);
if ( ! edge ) return -1;
edge_length = strlen ( edge );
for ( i=0, result[0] = 0.0; i<window_length; i++ ) {
result[0] += score [ char_lookup [ (unsigned int)edge [ i ] ] ];
}
if (result[0] > (*max)) (*max) = result[0];
if (result[0] < (*min)) (*min) = result[0];
for (
back_edge = 0,
front_edge = window_length,
middle = 1;
front_edge < edge_length;
front_edge++,
back_edge++,
middle++) {
result[middle] = result[middle-1]
- score [ char_lookup [ (unsigned int)edge [ back_edge ] ] ]
+ score [ char_lookup [ (unsigned int)edge [ front_edge ] ] ];
if (result[middle] > (*max)) (*max) = result[middle];
if (result[middle] < (*min)) (*min) = result[middle];
}
/* middle game */
for (
back_edge = start,
front_edge = back_edge + window_length;
front_edge <= end;
front_edge++,
back_edge++,
middle++) {
result[middle] = result[middle-1]
- score [ char_lookup [ (unsigned int)seq [ back_edge ] ] ]
+ score [ char_lookup [ (unsigned int)seq [ front_edge ] ] ];
if (result[middle] > (*max)) (*max) = result[middle];
if (result[middle] < (*min)) (*min) = result[middle];
}
xfree ( edge );
/* right end game */
edge = seq_right_end ( seq, seq_length, end, window_length, 1);
if ( ! (edge) ) return -1;
edge_length = strlen ( edge );
for (
back_edge = 0,
front_edge = back_edge + window_length;
front_edge < edge_length;
front_edge++,
back_edge++,
middle++) {
result[middle] = result[middle-1]
- score [ char_lookup [ (unsigned int)edge [ back_edge ] ] ]
+ score [ char_lookup [ (unsigned int)edge [ front_edge ] ] ];
if (result[middle] > (*max)) (*max) = result[middle];
if (result[middle] < (*min)) (*min) = result[middle];
}
xfree ( edge );
return 0;
}
double get_base_comp_mass(int a,
int c,
int g,
int t)
{
double mass;
double t_mass = 304.19618;
double c_mass = 289.18454;
double a_mass = 313.20954;
double g_mass = 329.20894;
double hydrogen_mass = 1.00794;
double phosphate_mass = 62.97256;
mass = t * t_mass + c * c_mass + a *a_mass + g * g_mass + hydrogen_mass
- phosphate_mass;
return mass;
}
void get_aa_comp ( char *seq, int seq_length, double aa_comp[25] ) {
int i;
for ( i = 0; i < 25; i++ ) {
aa_comp[i] = 0.0;
}
for ( i = 0; i < seq_length; i++ ) {
aa_comp[protein_lookup[(unsigned int)seq[i]]] += 1.0;
}
}
void get_aa_comp_mass(double *aa_comp, double *mass)
{
double aa_mass[25];
int i;
aa_mass[0] = 71.0788; /* A */
aa_mass[1] = 0.0; /* B */
aa_mass[2] = 103.1448; /* C */
aa_mass[3] = 115.0886; /* D */
aa_mass[4] = 129.1155; /* E */
aa_mass[5] = 147.1766; /* F */
aa_mass[6] = 57.0520; /* G */
aa_mass[7] = 137.1412; /* H */
aa_mass[8] = 113.1595; /* I */
aa_mass[9] = 128.1742; /* K */
aa_mass[10] = 113.1595; /* L */
aa_mass[11] = 131.1986; /* M */
aa_mass[12] = 114.1039; /* N */
aa_mass[13] = 97.1167; /* P */
aa_mass[14] = 128.1308; /* Q */
aa_mass[15] = 156.1876; /* R */
aa_mass[16] = 87.0782; /* S */
aa_mass[17] = 101.1051; /* T */
aa_mass[18] = 99.1326; /* V */
aa_mass[19] = 186.2133; /* W */
aa_mass[20] = 163.1760; /* Y */
aa_mass[21] = 0.0; /* Z */
aa_mass[22] = 0.0; /* X */
aa_mass[23] = 0.0; /* * */
aa_mass[24] = 0.0; /* - */
#ifdef REMOVE
double a_mass = 71.0788;
double b_mass = 0.0;
double c_mass = 103.1448;
double d_mass = 115.0886;
double e_mass = 129.1155;
double f_mass = 147.1766;
double g_mass = 57.0520;
double h_mass = 137.1412;
double i_mass = 113.1595;
double k_mass = 128.1742;
double l_mass = 113.1595;
double m_mass = 131.1986;
double n_mass = 114.1039;
double p_mass = 97.1167;
double q_mass = 128.1308;
double r_mass = 156.1876;
double s_mass = 87.0782;
double t_mass = 101.1051;
double v_mass = 99.1326;
double w_mass = 186.2133;
double y_mass = 163.1760;
double z_mass = 0.0;
double x_mass = 0.0;
double *_mass = 0.0;
double -_mass = 0.0;
#endif
for (i = 0; i < 25; i++) {
mass[i] = 0.0;
}
for (i = 0; i < 25; i++) {
mass[i] += aa_mass[i] * aa_comp[i];
}
}
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