Mercurial > repos > nick > duplex
annotate swalign.c @ 18:e4d75f9efb90 draft
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| author | nick |
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| date | Thu, 02 Feb 2017 18:44:31 -0500 |
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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 } |
