annotate swalign.c @ 18:e4d75f9efb90 draft

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author nick
date Thu, 02 Feb 2017 18:44:31 -0500
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18
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1 /*
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2 * Copyright (c) 2010 Nicolaus Lance Hepler
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3 *
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4 * Permission is hereby granted, free of charge, to any person
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5 * obtaining a copy of this software and associated documentation
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6 * files (the "Software"), to deal in the Software without
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7 * restriction, including without limitation the rights to use,
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8 * copy, modify, merge, publish, distribute, sublicense, and/or sell
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9 * copies of the Software, and to permit persons to whom the
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10 * Software is furnished to do so, subject to the following
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11 * conditions:
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12 *
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13 * The above copyright notice and this permission notice shall be
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14 * included in all copies or substantial portions of the Software.
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15 *
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16 * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
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17 * EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES
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18 * OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
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19 * NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT
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20 * HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY,
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21 * WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
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22 * FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR
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23 * OTHER DEALINGS IN THE SOFTWARE.
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24 */
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25 // Note: That's an MIT license.
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26 // All double-commented comments below are from Nicolaus Lance Hepler.
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27 // Original repository: https://code.google.com/archive/p/swalign/
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28
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29 #include "swalign.h"
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30
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31 // /* reverse a string in place, return str */
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32 static char* reverse(char *str) {
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33 char *left = str;
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34 char *right = left + strlen(str) - 1;
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35 char tmp;
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36
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37 while (left < right) {
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38 tmp = *left;
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39 *(left++) = *right;
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40 *(right--) = tmp;
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41 }
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42
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43 return str;
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44 }
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45
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46 // Return the reverse complement of a sequence.
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47 char* revcomp(char *str) {
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48 char *left = str;
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49 char *right = left + strlen(str) - 1;
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50 char tmp;
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51
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52 while (left < right) {
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53 tmp = get_char_comp(*left);
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54 *(left++) = get_char_comp(*right);
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55 *(right--) = tmp;
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56 }
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57
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58 return str;
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59 }
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60
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61 // Return the complement of a base.
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62 // Uses a simple lookup table: a string with the complements of all possible sequence characters.
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63 static char get_char_comp(char c) {
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64 int i = c - TRANS_OFFSET;
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65 if (i < 0 || i > 57) {
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66 return c;
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67 } else {
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68 return TRANS[i];
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69 }
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70 }
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71
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72 // // works globally
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73 // Note: Currently the "local" flag isn't functional. It seems to always do a local alignment.
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74 static align_t *traceback(seq_pair_t *problem, matrix_t *S, bool local) {
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75 align_t *result = malloc(sizeof(align_t));
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76 seq_pair_t *seqs = malloc(sizeof(seq_pair_t));
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77 unsigned int i = S->m - 1;
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78 unsigned int j = S->n - 1;
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79 unsigned int k = 0;
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80 // Create output strings. Allocate maximum potential length.
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81 char c[S->m + S->n + 1];
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82 char d[S->m + S->n + 1];
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83
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84 memset(c, '\0', sizeof(c));
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85 memset(d, '\0', sizeof(d));
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86
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87 // This wasn't finished by NLH. Not functioning correctly yet.
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88 // It seems the purpose is to start the traceback from the place where the score reaches its
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89 // maximum instead of the very end (set i and j to those coordinates).
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90 if (local == true) {
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91 unsigned int l, m;
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92 double max = FLT_MIN;
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93
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94 for (l = 0; l < S->m; l++) {
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95 for (m = 0; m < S->n; m++) {
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96 if (S->mat[l][m].score > max) {
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97 i = l;
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98 j = m;
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99 max = S->mat[l][m].score;
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100 }
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101 }
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102 }
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103 }
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104
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105 double score = DBL_MIN;
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106 int matches = 0;
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107 int start_a = 0;
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108 int start_b = 0;
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109 int end_a = 0;
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110 int end_b = 0;
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111 bool move_i = false;
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112 bool move_j = false;
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113 // Walk back through the matrix from the end, taking the path determined by the "prev" values of
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114 // each cell. Assemble the sequence along the way.
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115 if (S->mat[i][j].prev[0] != 0 && S->mat[i][j].prev[1] != 0) {
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116 while (i > 0 || j > 0) {
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117 unsigned int new_i = S->mat[i][j].prev[0];
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118 unsigned int new_j = S->mat[i][j].prev[1];
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119
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120 // If we've moved in the i axis, add the new base to the sequence. Otherwise, it's a gap.
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121 if (new_i < i) {
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122 *(c+k) = *(problem->a+i-1);
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123 move_i = true;
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124 } else {
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125 *(c+k) = '-';
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126 move_i = false;
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127 }
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128
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129 // If we've moved in the j axis, add the new base to the sequence. Otherwise, it's a gap.
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130 if (new_j < j) {
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131 *(d+k) = *(problem->b+j-1);
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132 move_j = true;
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133 } else {
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134 *(d+k) = '-';
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135 move_j = false;
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136 }
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137
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138 if (S->mat[i][j].score > score) {
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139 score = S->mat[i][j].score;
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140 }
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141
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142 if (move_i && move_j) {
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143 if (*(c+k) == *(d+k)) {
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144 matches++;
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145 }
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146 // Start and end of each sequence are in the coordinates of the other sequence.
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147 start_a = new_j + 1;
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148 start_b = new_i + 1;
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149 if (! end_a) {
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150 end_a = new_j + 1;
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151 }
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152 if (! end_b) {
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153 end_b = new_i + 1;
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154 }
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155 }
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156
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157 k++;
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158
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159 i = new_i;
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160 j = new_j;
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161 }
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162 }
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163
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164 seqs->a = malloc(sizeof(char) * k + 1);
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165 seqs->b = malloc(sizeof(char) * k + 1);
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166
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167 memset(seqs->a, '\0', sizeof(seqs->a));
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168 memset(seqs->b, '\0', sizeof(seqs->b));
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169
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170 reverse(c);
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171 reverse(d);
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172
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173 strcpy(seqs->a, c);
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174 strcpy(seqs->b, d);
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175
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176 seqs->alen = k;
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177 seqs->blen = k;
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178
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179 result->seqs = seqs;
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180 result->score = score;
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181 result->matches = matches;
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182 result->start_a = start_a;
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183 result->start_b = start_b;
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184 result->end_a = end_a;
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185 result->end_b = end_b;
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186
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187 return result;
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188 }
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189
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190 static matrix_t *create_matrix(unsigned int m, unsigned int n) {
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191 matrix_t *S = malloc(sizeof(matrix_t));
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192 unsigned int i;
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193
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194 S->m = m;
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195 S->n = n;
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196
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197 S->mat = malloc(sizeof(entry_t) * m * n);
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198
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199 for (i = 0; i < m; i++) {
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200 S->mat[i] = malloc(sizeof(entry_t) * n);
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201 }
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202
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203 return S;
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204 }
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205
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206 void destroy_matrix(matrix_t *S) {
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207 unsigned int i;
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208 for (i = 0; i < S->m; i++) {
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209 free(S->mat[i]);
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210 }
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211 free(S->mat);
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212 free(S);
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213 return;
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214 }
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215
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216 // Print a visual representation of the path through the matrix.
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217 void print_matrix(matrix_t *matrix, seq_pair_t *seq_pair) {
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218 int i, j;
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219 for (i = 0; i < matrix->m; i++) {
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220 if (i == 0) {
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221 printf("\t\t");
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222 for (j = 0; j < seq_pair->blen; j++) {
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223 printf("%c\t", seq_pair->b[j]);
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224 }
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225 printf("\n");
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226 printf(" ");
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227 for (j = 0; j < matrix->n; j++) {
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228 printf("%d\t", j);
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229 }
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230 printf("\n");
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231 }
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232 if (i == 0) {
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233 printf(" 0 ");
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234 } else {
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235 printf("%c %4d ", seq_pair->a[i-1], i);
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236 }
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237 for (j = 0; j < matrix->n; j++) {
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238 printf("%d,%d|%0.0f\t", matrix->mat[i][j].prev[0], matrix->mat[i][j].prev[1], matrix->mat[i][j].score);
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239 }
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240 printf("\n");
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241 }
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242 }
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243
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244 void destroy_seq_pair(seq_pair_t *pair) {
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245 free(pair->a);
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246 free(pair->b);
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247 free(pair);
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248 return;
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249 }
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250
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251 align_t *smith_waterman(seq_pair_t *problem, bool local) {
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252 unsigned int m = problem->alen + 1;
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253 unsigned int n = problem->blen + 1;
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254 matrix_t *S = create_matrix(m, n);
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255 align_t *result;
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256 unsigned int i, j, k, l;
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257
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258 S->mat[0][0].score = 0;
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259 S->mat[0][0].prev[0] = 0;
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260 S->mat[0][0].prev[1] = 0;
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261
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262 for (i = 1; i <= problem->alen; i++) {
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263 S->mat[i][0].score = 0.0;
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264 S->mat[i][0].prev[0] = i-1;
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265 S->mat[i][0].prev[1] = 0;
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266 }
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267
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268 for (j = 1; j <= problem->blen; j++) {
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269 S->mat[0][j].score = 0.0;
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270 S->mat[0][j].prev[0] = 0;
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271 S->mat[0][j].prev[1] = j-1;
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272 }
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273
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274 for (i = 1; i <= problem->alen; i++) {
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275 for (j = 1; j <= problem->blen; j++) {
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276 int nw_score = (strncmp(problem->a+(i-1), problem->b+(j-1), 1) == 0) ? MATCH : MISMATCH;
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277
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278 S->mat[i][j].score = DBL_MIN;
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279 S->mat[i][j].prev[0] = 0;
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280 S->mat[i][j].prev[1] = 0;
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281
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282 for (k = 0; k <= 1; k++) {
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283 for (l = 0; l <= 1; l++) {
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284 int val;
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285
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286 if (k == 0 && l == 0) {
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287 continue;
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288 } else if (k > 0 && l > 0) {
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289 val = nw_score;
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290 } else if (k > 0 || l > 0) {
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291 if ((i == problem->alen && k == 0) ||
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292 (j == problem->blen && l == 0))
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293 val = 0.0;
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294 else
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295 val = GAP;
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296 } else {
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297 // do nothing..
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298 }
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299
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300 val += S->mat[i-k][j-l].score;
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301
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302 if (val > S->mat[i][j].score) {
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303 S->mat[i][j].score = val;
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304 S->mat[i][j].prev[0] = i-k;
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305 S->mat[i][j].prev[1] = j-l;
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306 }
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307 }
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308 }
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309 }
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310 }
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311
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312 result = traceback(problem, S, local);
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313
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314 // print_matrix(S, problem);
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315
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316 destroy_matrix(S);
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317
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318 return result;
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319 }
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320
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321 void print_alignment(align_t *result, int target_len, int query_len) {
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322 printf("Score: %0.0f Matches: %d\n", result->score, result->matches);
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323 printf("Target: %3d %s %-3d\n", result->start_a, result->seqs->a, result->end_a);
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324 printf("Query: %3d %s %-3d\n", result->start_b, result->seqs->b, result->end_b);
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325 }
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326
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327 int main(int argc, const char **argv) {
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328
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329 if (argc != 3) {
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330 printf("usage: swalign TARGET_SEQ QUERY_SEQ\n");
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331 exit(1);
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332 }
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333
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334 {
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335 seq_pair_t problem;
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336 align_t *result;
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337 char c[strlen(argv[1])], d[strlen(argv[2])];
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338
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339 strcpy(c, argv[1]);
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340 strcpy(d, argv[2]);
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341
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342 problem.a = c;
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343 problem.alen = strlen(problem.a);
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344 problem.b = d;
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345 problem.blen = strlen(problem.b);
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346
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347 result = smith_waterman(&problem, false);
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348
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349 print_alignment(result, problem.alen, problem.blen);
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350 }
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351
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352 exit(0);
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353 }