| 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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