1 | #include "mltaln.h" |
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2 | #include "mtxutl.h" |
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3 | |
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4 | #define DEBUG 0 |
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5 | #define TEST 0 |
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6 | |
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7 | #define END_OF_VEC -1 |
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8 | |
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9 | static int maxl; |
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10 | static int tsize; |
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11 | |
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12 | void arguments( int argc, char *argv[] ) |
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13 | { |
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14 | int c; |
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15 | |
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16 | inputfile = NULL; |
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17 | disopt = 0; |
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18 | scoremtx = 1; |
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19 | nblosum = 62; |
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20 | dorp = NOTSPECIFIED; |
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21 | |
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22 | while( --argc > 0 && (*++argv)[0] == '-' ) |
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23 | { |
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24 | while ( ( c = *++argv[0] ) ) |
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25 | { |
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26 | switch( c ) |
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27 | { |
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28 | case 'i': |
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29 | inputfile = *++argv; |
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30 | fprintf( stderr, "inputfile = %s\n", inputfile ); |
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31 | --argc; |
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32 | goto nextoption; |
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33 | case 'D': |
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34 | dorp = 'd'; |
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35 | break; |
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36 | case 'P': |
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37 | dorp = 'p'; |
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38 | break; |
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39 | case 'I': |
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40 | disopt = 1; |
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41 | break; |
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42 | default: |
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43 | fprintf( stderr, "illegal option %c\n", c ); |
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44 | argc = 0; |
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45 | break; |
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46 | } |
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47 | } |
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48 | nextoption: |
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49 | ; |
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50 | } |
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51 | if( argc != 0 ) |
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52 | { |
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53 | fprintf( stderr, "options: -i\n" ); |
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54 | exit( 1 ); |
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55 | } |
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56 | } |
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57 | |
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58 | void seq_grp_nuc( int *grp, char *seq ) |
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59 | { |
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60 | int tmp; |
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61 | while( *seq ) |
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62 | { |
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63 | tmp = amino_grp[(int)*seq++]; |
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64 | if( tmp < 4 ) |
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65 | *grp++ = tmp; |
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66 | else |
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67 | fprintf( stderr, "WARNING : Unknown character %c\n", *(seq-1) ); |
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68 | } |
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69 | *grp = END_OF_VEC; |
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70 | } |
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71 | |
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72 | void seq_grp( int *grp, char *seq ) |
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73 | { |
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74 | int tmp; |
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75 | while( *seq ) |
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76 | { |
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77 | tmp = amino_grp[(int)*seq++]; |
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78 | if( tmp < 6 ) |
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79 | *grp++ = tmp; |
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80 | else |
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81 | fprintf( stderr, "WARNING : Unknown character %c\n", *(seq-1) ); |
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82 | } |
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83 | *grp = END_OF_VEC; |
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84 | } |
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85 | |
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86 | void makecompositiontable_p( short *table, int *pointt ) |
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87 | { |
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88 | int point; |
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89 | |
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90 | while( ( point = *pointt++ ) != END_OF_VEC ) |
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91 | table[point]++; |
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92 | } |
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93 | |
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94 | int commonsextet_p( short *table, int *pointt ) |
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95 | { |
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96 | int value = 0; |
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97 | short tmp; |
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98 | int point; |
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99 | static short *memo = NULL; |
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100 | static int *ct = NULL; |
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101 | static int *cp; |
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102 | |
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103 | if( !memo ) |
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104 | { |
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105 | memo = (short *)calloc( tsize, sizeof( short ) ); |
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106 | if( !memo ) ErrorExit( "Cannot allocate memo\n" ); |
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107 | ct = (int *)calloc( MIN( maxl, tsize)+1, sizeof( int ) ); |
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108 | if( !ct ) ErrorExit( "Cannot allocate memo\n" ); |
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109 | } |
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110 | |
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111 | cp = ct; |
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112 | while( ( point = *pointt++ ) != END_OF_VEC ) |
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113 | { |
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114 | tmp = memo[point]++; |
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115 | if( tmp < table[point] ) |
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116 | value++; |
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117 | if( tmp == 0 ) *cp++ = point; |
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118 | // fprintf( stderr, "cp - ct = %d (tsize = %d)\n", cp - ct, tsize ); |
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119 | } |
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120 | *cp = END_OF_VEC; |
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121 | |
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122 | cp = ct; |
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123 | while( *cp != END_OF_VEC ) |
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124 | memo[*cp++] = 0; |
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125 | |
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126 | return( value ); |
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127 | } |
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128 | |
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129 | void makepointtable_nuc( int *pointt, int *n ) |
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130 | { |
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131 | int point; |
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132 | register int *p; |
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133 | |
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134 | p = n; |
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135 | point = *n++ * 1024; |
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136 | point += *n++ * 256; |
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137 | point += *n++ * 64; |
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138 | point += *n++ * 16; |
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139 | point += *n++ * 4; |
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140 | point += *n++; |
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141 | *pointt++ = point; |
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142 | |
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143 | while( *n != END_OF_VEC ) |
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144 | { |
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145 | point -= *p++ * 1024; |
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146 | point *= 4; |
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147 | point += *n++; |
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148 | *pointt++ = point; |
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149 | } |
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150 | *pointt = END_OF_VEC; |
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151 | } |
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152 | |
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153 | void makepointtable( int *pointt, int *n ) |
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154 | { |
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155 | int point; |
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156 | register int *p; |
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157 | |
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158 | p = n; |
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159 | point = *n++ * 7776; |
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160 | point += *n++ * 1296; |
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161 | point += *n++ * 216; |
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162 | point += *n++ * 36; |
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163 | point += *n++ * 6; |
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164 | point += *n++; |
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165 | *pointt++ = point; |
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166 | |
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167 | while( *n != END_OF_VEC ) |
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168 | { |
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169 | point -= *p++ * 7776; |
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170 | point *= 6; |
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171 | point += *n++; |
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172 | *pointt++ = point; |
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173 | } |
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174 | *pointt = END_OF_VEC; |
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175 | } |
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176 | |
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177 | int main( int argc, char **argv ) |
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178 | { |
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179 | int i, j; |
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180 | FILE *fp, *infp; |
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181 | char **seq; |
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182 | int *grpseq; |
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183 | char *tmpseq; |
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184 | int **pointt; |
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185 | static char **name; |
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186 | static int nlen[M]; |
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187 | double **mtx; |
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188 | double **mtx2; |
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189 | double score, score0; |
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190 | static short *table1; |
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191 | char b[B]; |
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192 | |
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193 | arguments( argc, argv ); |
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194 | |
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195 | if( inputfile ) |
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196 | { |
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197 | infp = fopen( inputfile, "r" ); |
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198 | if( !infp ) |
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199 | { |
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200 | fprintf( stderr, "Cannot open %s\n", inputfile ); |
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201 | exit( 1 ); |
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202 | } |
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203 | } |
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204 | else |
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205 | infp = stdin; |
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206 | |
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207 | #if 0 |
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208 | PreRead( stdin, &njob, &nlenmax ); |
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209 | #else |
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210 | getnumlen( infp ); |
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211 | #endif |
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212 | rewind( infp ); |
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213 | if( njob < 2 ) |
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214 | { |
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215 | fprintf( stderr, "At least 2 sequences should be input!\n" |
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216 | "Only %d sequence found.\n", njob ); |
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217 | exit( 1 ); |
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218 | } |
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219 | |
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220 | name = AllocateCharMtx( njob, B+1 ); |
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221 | tmpseq = AllocateCharVec( nlenmax+1 ); |
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222 | seq = AllocateCharMtx( njob, nlenmax+1 ); |
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223 | grpseq = AllocateIntVec( nlenmax+1 ); |
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224 | pointt = AllocateIntMtx( njob, nlenmax+1 ); |
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225 | mtx = AllocateDoubleMtx( njob, njob ); |
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226 | mtx2 = AllocateDoubleMtx( njob, njob ); |
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227 | pamN = NOTSPECIFIED; |
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228 | |
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229 | #if 0 |
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230 | FRead( infp, name, nlen, seq ); |
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231 | #else |
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232 | readData_pointer( infp, name, nlen, seq ); |
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233 | #endif |
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234 | |
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235 | fclose( infp ); |
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236 | |
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237 | constants( njob, seq ); |
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238 | |
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239 | if( dorp == 'd' ) tsize = (int)pow( 4, 6 ); |
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240 | else tsize = (int)pow( 6, 6 ); |
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241 | |
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242 | maxl = 0; |
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243 | for( i=0; i<njob; i++ ) |
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244 | { |
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245 | gappick0( tmpseq, seq[i] ); |
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246 | nlen[i] = strlen( tmpseq ); |
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247 | if( nlen[i] < 6 ) |
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248 | { |
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249 | fprintf( stderr, "Seq %d, too short, %d characters\n", i+1, nlen[i] ); |
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250 | exit( 1 ); |
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251 | } |
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252 | if( nlen[i] > maxl ) maxl = nlen[i]; |
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253 | if( dorp == 'd' ) /* nuc */ |
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254 | { |
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255 | seq_grp_nuc( grpseq, tmpseq ); |
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256 | makepointtable_nuc( pointt[i], grpseq ); |
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257 | } |
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258 | else /* amino */ |
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259 | { |
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260 | seq_grp( grpseq, tmpseq ); |
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261 | makepointtable( pointt[i], grpseq ); |
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262 | } |
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263 | } |
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264 | for( i=0; i<njob; i++ ) |
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265 | { |
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266 | table1 = (short *)calloc( tsize, sizeof( short ) ); |
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267 | if( !table1 ) ErrorExit( "Cannot allocate table1\n" ); |
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268 | if( i % 10 == 0 ) |
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269 | { |
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270 | fprintf( stderr, "%4d / %4d\r", i+1, njob ); |
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271 | } |
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272 | makecompositiontable_p( table1, pointt[i] ); |
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273 | |
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274 | for( j=i; j<njob; j++ ) |
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275 | { |
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276 | score = (double)commonsextet_p( table1, pointt[j] ); |
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277 | mtx[i][j] = score; |
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278 | } |
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279 | free( table1 ); |
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280 | } |
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281 | for( i=0; i<njob; i++ ) |
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282 | { |
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283 | score0 = mtx[i][i]; |
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284 | for( j=0; j<njob; j++ ) |
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285 | mtx2[i][j] = ( score0 - mtx[MIN(i,j)][MAX(i,j)] ) / score0 * 3.0; |
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286 | } |
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287 | for( i=0; i<njob-1; i++ ) for( j=i+1; j<njob; j++ ) |
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288 | { |
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289 | #if TEST |
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290 | double jscore; |
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291 | jscore = mtx[i][j] / ( MIN( strlen( seq[i] ), strlen( seq[j] ) ) - 2 ); |
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292 | fprintf( stdout, "jscore = %f\n", jscore ); |
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293 | |
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294 | fprintf( stdout, "mtx2[%d][%d] = %f, mtx2[%d][%d] = %f\n", i, j, mtx2[i][j], j, i, mtx2[j][i] ); |
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295 | #endif |
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296 | mtx2[i][j] = MIN( mtx2[i][j], mtx2[j][i] ); |
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297 | #if TEST |
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298 | fprintf( stdout, "sonokekka mtx2[%d][%d] %f\n", i, j, mtx2[i][j] ); |
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299 | #endif |
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300 | } |
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301 | |
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302 | if( disopt ) |
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303 | { |
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304 | for( i=0; i<njob; i++ ) |
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305 | { |
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306 | sprintf( b, "=lgth = %04d", nlen[i] ); |
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307 | strins( b, name[i] ); |
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308 | } |
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309 | } |
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310 | |
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311 | fp = fopen( "hat2", "w" ); |
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312 | if( !fp ) ErrorExit( "Cannot open hat2." ); |
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313 | WriteHat2_pointer( fp, njob, name, mtx2 ); |
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314 | fclose( fp ); |
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315 | |
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316 | fprintf( stderr, "\n" ); |
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317 | SHOWVERSION; |
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318 | exit( 0 ); |
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319 | } |
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