1 | #include "mltaln.h" |
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2 | |
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3 | |
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4 | #define TREE 1 |
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5 | #define PICKSIZE 50 // must be >= 3 |
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6 | #define WEIGHT 0 |
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7 | #define TOKYORIPARA 0.70 // 0.70 |
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8 | #define TOKYORIPARA_A 0.70 // changed |
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9 | #define LENFAC 1 |
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10 | #define HUKINTOTREE 1 |
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11 | #define DIANA 0 |
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12 | #define MAX6DIST 10.0 |
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13 | |
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14 | // kouzoutai ni sasareru pointer ha static |
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15 | |
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16 | #define DEBUG 0 |
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17 | #define IODEBUG 0 |
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18 | #define SCOREOUT 0 |
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19 | |
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20 | #define END_OF_VEC -1 |
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21 | |
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22 | static char *fastapath; |
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23 | static int doalign; |
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24 | static int fromaln; |
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25 | static int uselongest; |
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26 | static int treeout; |
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27 | static int classsize; |
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28 | static int picksize; |
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29 | static int maxl; |
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30 | static int tsize; |
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31 | static int reorder; |
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32 | static int pid; |
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33 | static int maxdepth = 0; |
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34 | static double tokyoripara; |
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35 | |
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36 | static double lenfaca, lenfacb, lenfacc, lenfacd; |
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37 | #define PLENFACA 0.01 |
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38 | #define PLENFACB 10000 |
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39 | #define PLENFACC 10000 |
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40 | #define PLENFACD 0.1 |
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41 | #define DLENFACA 0.01 |
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42 | #define DLENFACB 2500 |
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43 | #define DLENFACC 2500 |
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44 | #define DLENFACD 0.1 |
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45 | |
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46 | static char datafile[1000]; |
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47 | static char queryfile[1000]; |
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48 | static char resultfile[1000]; |
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49 | |
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50 | typedef struct _scores |
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51 | { |
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52 | double score; |
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53 | int selfscore; |
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54 | int orilen; |
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55 | int *pointt; |
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56 | int numinseq; |
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57 | char *name; |
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58 | // char *seq; // reallo |
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59 | // char **seqpt; |
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60 | int shimon; |
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61 | } Scores; |
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62 | |
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63 | int intcompare( const int *a, const int *b ) |
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64 | { |
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65 | return( *a - *b ); |
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66 | } |
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67 | |
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68 | int lcompare( const Scores *a, const Scores *b ) |
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69 | { |
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70 | if( a->orilen < b->orilen ) return 1; |
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71 | else if( a->orilen > b->orilen ) return -1; |
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72 | else return 0; |
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73 | } |
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74 | |
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75 | int dcompare( const Scores *a, const Scores *b ) |
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76 | { |
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77 | if( a->score > b->score ) return 1; |
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78 | else if( a->score < b->score ) return -1; |
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79 | else |
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80 | { |
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81 | if( a->selfscore < b->selfscore ) return 1; |
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82 | else if( a->selfscore > b->selfscore ) return -1; |
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83 | else |
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84 | { |
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85 | if( a->orilen < b->orilen ) return 1; |
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86 | else if( a->orilen > b->orilen ) return -1; |
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87 | else return 0; |
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88 | } |
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89 | } |
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90 | } |
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91 | |
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92 | #if 0 |
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93 | static void gappickandx0( char *out, char *in ) |
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94 | { |
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95 | char c; |
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96 | if( scoremtx == -1 ) |
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97 | { |
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98 | while( *in ) |
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99 | { |
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100 | if( (c=*in++) == '-' ) |
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101 | ; |
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102 | else if( c == 'u' ) |
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103 | *out++ = 't'; |
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104 | else if( amino_n[c] < 4 && amino_n[c] > -1 ) |
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105 | *out++ = c; |
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106 | else |
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107 | *out++ = 'n'; |
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108 | } |
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109 | } |
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110 | else |
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111 | { |
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112 | while( *in ) |
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113 | { |
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114 | if( (c=*in++) == '-' ) |
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115 | ; |
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116 | else if( amino_n[c] < 20 && amino_n[c] > -1 ) |
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117 | *out++ = c; |
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118 | else |
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119 | *out++ = 'X'; |
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120 | } |
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121 | } |
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122 | *out = 0; |
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123 | } |
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124 | |
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125 | static int getkouho( int *pickkouho, double prob, int nin, Scores *scores, char **seq ) // 0 < prob < 1 |
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126 | { |
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127 | int nkouho = 0; |
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128 | int i, j; |
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129 | int *iptr = pickkouho; |
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130 | for( i=1; i<nin; i++ ) |
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131 | { |
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132 | if( ( nkouho==0 || rnd() < prob ) && ( scores[i].shimon != scores->shimon || strcmp( seq[scores->numinseq], seq[scores[i].numinseq] ) ) ) |
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133 | { |
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134 | #if 0 |
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135 | for( j=0; j<nkouho; j++ ) |
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136 | { |
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137 | if( scores[i].shimon == scores[pickkouho[j]].shimon || !strcmp( seq[scores[pickkouho[j]].numinseq], seq[scores[i].numinseq] ) ) |
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138 | break; |
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139 | } |
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140 | if( j == nkouho ) |
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141 | #endif |
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142 | { |
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143 | *iptr++ = i; |
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144 | nkouho++; |
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145 | // fprintf( stderr, "ok! nkouho=%d\n", nkouho ); |
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146 | } |
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147 | } |
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148 | else |
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149 | { |
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150 | ; |
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151 | // fprintf( stderr, "no! %d-%d\n", 0, scores[i].numinseq ); |
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152 | } |
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153 | } |
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154 | fprintf( stderr, "\ndone\n\n" ); |
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155 | return nkouho; |
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156 | } |
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157 | |
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158 | #endif |
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159 | |
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160 | static void getfastascoremtx( int **tmpaminodis ) |
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161 | { |
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162 | FILE *qfp; |
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163 | FILE *dfp; |
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164 | FILE *rfp; |
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165 | int i, j; |
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166 | char aa; |
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167 | int slen; |
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168 | int res; |
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169 | char com[10000]; |
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170 | static char *tmpseq; |
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171 | static char *tmpname; |
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172 | double *resvec; |
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173 | |
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174 | if( scoremtx == -1 ) |
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175 | { |
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176 | tmpaminodis['a']['a'] = 5; |
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177 | tmpaminodis['g']['g'] = 5; |
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178 | tmpaminodis['c']['c'] = 5; |
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179 | tmpaminodis['t']['t'] = 5; |
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180 | tmpaminodis['n']['n'] = -1; |
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181 | |
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182 | return; |
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183 | } |
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184 | |
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185 | |
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186 | tmpseq = calloc( 2000, sizeof( char ) ); |
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187 | tmpname = calloc( B, sizeof( char ) ); |
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188 | resvec = calloc( 1, sizeof( double ) ); |
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189 | |
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190 | // fprintf( stderr, "xformatting .. " ); |
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191 | dfp = fopen( datafile, "w" ); |
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192 | if( !dfp ) ErrorExit( "Cannot open datafile." ); |
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193 | sprintf( tmpname, ">+===========+%d ", 0 ); |
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194 | strcpy( tmpseq, "AAAAAAXXXXXX" ); |
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195 | strcat( tmpseq, "CCCCCCXXXXXX" ); |
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196 | strcat( tmpseq, "DDDDDDXXXXXX" ); |
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197 | strcat( tmpseq, "EEEEEEXXXXXX" ); |
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198 | strcat( tmpseq, "FFFFFFXXXXXX" ); |
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199 | strcat( tmpseq, "GGGGGGXXXXXX" ); |
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200 | strcat( tmpseq, "HHHHHHXXXXXX" ); |
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201 | strcat( tmpseq, "IIIIIIXXXXXX" ); |
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202 | strcat( tmpseq, "KKKKKKXXXXXX" ); |
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203 | strcat( tmpseq, "LLLLLLXXXXXX" ); |
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204 | strcat( tmpseq, "MMMMMMXXXXXX" ); |
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205 | strcat( tmpseq, "NNNNNNXXXXXX" ); |
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206 | strcat( tmpseq, "PPPPPPXXXXXX" ); |
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207 | strcat( tmpseq, "QQQQQQXXXXXX" ); |
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208 | strcat( tmpseq, "RRRRRRXXXXXX" ); |
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209 | strcat( tmpseq, "SSSSSSXXXXXX" ); |
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210 | strcat( tmpseq, "TTTTTTXXXXXX" ); |
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211 | strcat( tmpseq, "VVVVVVXXXXXX" ); |
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212 | strcat( tmpseq, "WWWWWWXXXXXX" ); |
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213 | strcat( tmpseq, "YYYYYYXXXXXX" ); |
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214 | slen = strlen( tmpseq ); |
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215 | writeData_pointer( dfp, 1, &tmpname, &slen, &tmpseq ); |
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216 | fclose( dfp ); |
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217 | fprintf( stderr, "done.\n" ); |
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218 | |
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219 | for( i=0; i<20; i++ ) |
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220 | { |
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221 | aa = amino[i]; |
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222 | // fprintf( stderr, "checking %c\n", aa ); |
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223 | *tmpseq = 0; |
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224 | sprintf( tmpname, ">+===========+%d ", 0 ); |
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225 | for( j=0; j<6; j++ ) |
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226 | sprintf( tmpseq+strlen( tmpseq ), "%c", aa ); |
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227 | qfp = fopen( queryfile, "w" ); |
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228 | if( !qfp ) ErrorExit( "Cannot open queryfile." ); |
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229 | writeData_pointer( qfp, 1, &tmpname, &slen, &tmpseq ); |
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230 | fclose( qfp ); |
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231 | |
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232 | if( scoremtx == -1 ) |
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233 | sprintf( com, "%s -z3 -m10 -n -Q -H -b%d -E%d -d%d %s %s %d > %s", fastapath, M, M, 0, queryfile, datafile, 6, resultfile ); |
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234 | else |
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235 | sprintf( com, "%s -z3 -m10 -p -Q -H -b%d -E%d -d%d %s %s %d > %s", fastapath, M, M, 0, queryfile, datafile, 2, resultfile ); |
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236 | res = system( com ); |
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237 | if( res ) |
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238 | { |
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239 | fprintf( stderr, "error in %s", fastapath ); |
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240 | exit( 1 ); |
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241 | } |
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242 | |
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243 | rfp = fopen( resultfile, "r" ); |
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244 | if( rfp == NULL ) |
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245 | ErrorExit( "file 'fasta.$$' does not exist\n" ); |
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246 | res = ReadFasta34m10_scoreonly( rfp, resvec, 1 ); |
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247 | fprintf( stderr, "%c: %f\n", 'A'+i, *resvec/6 ); |
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248 | fclose( rfp ); |
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249 | if( ( (int)*resvec % 6 ) > 0.0 ) |
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250 | { |
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251 | fprintf( stderr, "Error in blast, *resvec=%f\n", *resvec ); |
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252 | fprintf( stderr, "Error in blast, *resvec/6=%f\n", *resvec/6 ); |
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253 | exit( 1 ); |
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254 | } |
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255 | tmpaminodis[(int)aa][(int)aa] = (int)( *resvec / 6 ); |
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256 | // fprintf( stderr, "*resvec=%f, tmpaminodis[aa][aa] = %d\n", *resvec, tmpaminodis[aa][aa] ); |
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257 | } |
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258 | tmpaminodis['X']['X'] = -1; |
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259 | free( tmpname ); |
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260 | free( tmpseq ); |
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261 | free( resvec ); |
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262 | } |
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263 | |
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264 | #if 0 |
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265 | static void getblastscoremtx( int **tmpaminodis ) |
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266 | { |
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267 | FILE *qfp; |
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268 | FILE *dfp; |
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269 | FILE *rfp; |
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270 | int i, j; |
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271 | char aa; |
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272 | int slen; |
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273 | int res; |
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274 | char com[10000]; |
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275 | static char *tmpseq; |
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276 | static char *tmpname; |
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277 | double *resvec; |
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278 | |
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279 | if( scoremtx == -1 ) |
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280 | { |
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281 | tmpaminodis['a']['a'] = 1; |
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282 | tmpaminodis['g']['g'] = 1; |
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283 | tmpaminodis['c']['c'] = 1; |
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284 | tmpaminodis['t']['t'] = 1; |
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285 | |
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286 | return; |
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287 | } |
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288 | |
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289 | |
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290 | tmpseq = calloc( 2000, sizeof( char ) ); |
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291 | tmpname = calloc( B, sizeof( char ) ); |
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292 | resvec = calloc( 1, sizeof( double ) ); |
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293 | |
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294 | // fprintf( stderr, "xformatting .. " ); |
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295 | dfp = fopen( datafile, "w" ); |
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296 | if( !dfp ) ErrorExit( "Cannot open datafile." ); |
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297 | sprintf( tmpname, "\0", i ); // BUG!! |
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298 | strcpy( tmpseq, "AAAAAAXXXXXX" ); |
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299 | strcat( tmpseq, "CCCCCCXXXXXX" ); |
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300 | strcat( tmpseq, "DDDDDDXXXXXX" ); |
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301 | strcat( tmpseq, "EEEEEEXXXXXX" ); |
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302 | strcat( tmpseq, "FFFFFFXXXXXX" ); |
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303 | strcat( tmpseq, "GGGGGGXXXXXX" ); |
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304 | strcat( tmpseq, "HHHHHHXXXXXX" ); |
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305 | strcat( tmpseq, "IIIIIIXXXXXX" ); |
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306 | strcat( tmpseq, "KKKKKKXXXXXX" ); |
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307 | strcat( tmpseq, "LLLLLLXXXXXX" ); |
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308 | strcat( tmpseq, "MMMMMMXXXXXX" ); |
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309 | strcat( tmpseq, "NNNNNNXXXXXX" ); |
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310 | strcat( tmpseq, "PPPPPPXXXXXX" ); |
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311 | strcat( tmpseq, "QQQQQQXXXXXX" ); |
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312 | strcat( tmpseq, "RRRRRRXXXXXX" ); |
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313 | strcat( tmpseq, "SSSSSSXXXXXX" ); |
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314 | strcat( tmpseq, "TTTTTTXXXXXX" ); |
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315 | strcat( tmpseq, "VVVVVVXXXXXX" ); |
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316 | strcat( tmpseq, "WWWWWWXXXXXX" ); |
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317 | strcat( tmpseq, "YYYYYYXXXXXX" ); |
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318 | slen = strlen( tmpseq ); |
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319 | writeData_pointer( dfp, 1, &tmpname, &slen, &tmpseq ); |
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320 | fclose( dfp ); |
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321 | if( scoremtx == -1 ) |
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322 | sprintf( com, "formatdb -p f -i %s -o F", datafile ); |
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323 | else |
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324 | sprintf( com, "formatdb -i %s -o F", datafile ); |
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325 | system( com ); |
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326 | fprintf( stderr, "done.\n" ); |
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327 | |
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328 | for( i=0; i<20; i++ ) |
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329 | { |
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330 | aa = amino[i]; |
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331 | fprintf( stderr, "checking %c\n", aa ); |
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332 | *tmpseq = 0; |
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333 | for( j=0; j<6; j++ ) |
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334 | sprintf( tmpseq+strlen( tmpseq ), "%c", aa ); |
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335 | qfp = fopen( queryfile, "w" ); |
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336 | if( !qfp ) ErrorExit( "Cannot open queryfile." ); |
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337 | writeData_pointer( qfp, 1, &tmpname, &slen, &tmpseq ); |
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338 | fclose( qfp ); |
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339 | |
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340 | sprintf( com, "blastall -b %d -G 10 -E 1 -e 1e10 -p blastp -m 7 -i %s -d %s > %s\0", 1, queryfile, datafile, resultfile ); |
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341 | res = system( com ); |
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342 | if( res ) |
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343 | { |
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344 | fprintf( stderr, "error in %s", "blastall" ); |
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345 | exit( 1 ); |
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346 | } |
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347 | |
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348 | rfp = fopen( resultfile, "r" ); |
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349 | if( rfp == NULL ) |
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350 | ErrorExit( "file 'fasta.$$' does not exist\n" ); |
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351 | res = ReadBlastm7_scoreonly( rfp, resvec, 1 ); |
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352 | fprintf( stdout, "%c: %f\n", 'A'+i, *resvec/6 ); |
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353 | fclose( rfp ); |
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354 | if( ( (int)*resvec % 6 ) > 0.0 ) |
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355 | { |
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356 | fprintf( stderr, "Error in blast, *resvec=%f\n", *resvec ); |
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357 | fprintf( stderr, "Error in blast, *resvec/6=%f\n", *resvec/6 ); |
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358 | exit( 1 ); |
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359 | } |
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360 | tmpaminodis[aa][aa] = (int)( *resvec / 6 ); |
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361 | } |
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362 | tmpaminodis['X']['X'] = 0; |
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363 | free( tmpname ); |
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364 | free( tmpseq ); |
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365 | free( resvec ); |
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366 | |
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367 | } |
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368 | #endif |
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369 | |
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370 | static double *callfasta( char **seq, Scores *scores, int nin, int *picks, int query, int rewritedata ) |
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371 | { |
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372 | double *val; |
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373 | FILE *qfp; |
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374 | FILE *dfp; |
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375 | FILE *rfp; |
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376 | int i; |
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377 | char com[10000]; |
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378 | static char datafile[1000]; |
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379 | static char queryfile[1000]; |
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380 | static char resultfile[1000]; |
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381 | static int pid; |
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382 | static char *tmpseq; |
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383 | static char *tmpname; |
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384 | int slen; |
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385 | int res; |
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386 | static Scores *scoresbk = NULL; |
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387 | static int ninbk = 0; |
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388 | |
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389 | if( pid == 0 ) |
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390 | { |
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391 | pid = (int)getpid(); |
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392 | sprintf( datafile, "/tmp/data-%d", pid ); |
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393 | sprintf( queryfile, "/tmp/query-%d", pid ); |
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394 | sprintf( resultfile, "/tmp/fasta-%d", pid ); |
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395 | |
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396 | tmpseq = calloc( nlenmax+1, sizeof( char ) ); |
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397 | tmpname = calloc( B+1, sizeof( char ) ); |
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398 | } |
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399 | |
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400 | val = calloc( nin, sizeof( double ) ); |
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401 | // fprintf( stderr, "nin=%d, q=%d\n", nin, query ); |
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402 | |
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403 | if( rewritedata ) |
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404 | { |
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405 | scoresbk = scores; |
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406 | ninbk = nin; |
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407 | // fprintf( stderr, "\nformatting .. " ); |
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408 | dfp = fopen( datafile, "w" ); |
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409 | if( !dfp ) ErrorExit( "Cannot open datafile." ); |
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410 | if( picks == NULL ) for( i=0; i<nin; i++ ) |
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411 | { |
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412 | // fprintf( stderr, "i=%d / %d / %d\n", i, nin, njob ); |
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413 | // fprintf( stderr, "nlenmax = %d\n", nlenmax ); |
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414 | // fprintf( stderr, "scores[i].orilen = %d\n", scores[i].orilen ); |
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415 | // fprintf( stderr, "strlen( seq[scores[i].numinseq] = %d\n", strlen( seq[scores[i].numinseq] ) ); |
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416 | gappick0( tmpseq, seq[scores[i].numinseq] ); |
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417 | sprintf( tmpname, ">+===========+%d ", i ); |
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418 | slen = scores[i].orilen; |
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419 | writeData_pointer( dfp, 1, &tmpname, &slen, &tmpseq ); |
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420 | } |
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421 | else for( i=0; i<nin; i++ ) |
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422 | { |
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423 | gappick0( tmpseq, seq[scores[picks[i]].numinseq] ); |
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424 | sprintf( tmpname, ">+===========+%d ", i ); |
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425 | slen = scores[picks[i]].orilen; |
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426 | writeData_pointer( dfp, 1, &tmpname, &slen, &tmpseq ); |
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427 | } |
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428 | fclose( dfp ); |
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429 | } |
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430 | |
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431 | |
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432 | gappick0( tmpseq, seq[scores[query].numinseq] ); |
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433 | sprintf( tmpname, ">+==========+%d ", 0 ); |
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434 | slen = scores[query].orilen; |
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435 | qfp = fopen( queryfile, "w" ); |
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436 | if( !qfp ) ErrorExit( "Cannot open queryfile." ); |
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437 | writeData_pointer( qfp, 1, &tmpname, &slen, &tmpseq ); |
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438 | fclose( qfp ); |
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439 | |
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440 | // fprintf( stderr, "calling fasta, nin=%d\n", nin ); |
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441 | |
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442 | if( scoremtx == -1 ) |
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443 | sprintf( com, "%s -z3 -m10 -n -Q -H -b%d -E%d -d%d %s %s %d > %s", fastapath, nin, nin, 0, queryfile, datafile, 6, resultfile ); |
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444 | else |
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445 | sprintf( com, "%s -z3 -m10 -p -Q -H -b%d -E%d -d%d %s %s %d > %s", fastapath, nin, nin, 0, queryfile, datafile, 2, resultfile ); |
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446 | res = system( com ); |
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447 | if( res ) |
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448 | { |
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449 | fprintf( stderr, "error in %s", fastapath ); |
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450 | exit( 1 ); |
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451 | } |
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452 | // fprintf( stderr, "fasta done\n" ); |
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453 | |
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454 | //exit( 1 ); |
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455 | |
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456 | rfp = fopen( resultfile, "r" ); |
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457 | if( rfp == NULL ) |
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458 | ErrorExit( "file 'fasta.$$' does not exist\n" ); |
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459 | |
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460 | // fprintf( stderr, "reading fasta\n" ); |
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461 | if( scoremtx == -1 ) |
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462 | res = ReadFasta34m10_scoreonly_nuc( rfp, val, nin ); |
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463 | else |
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464 | res = ReadFasta34m10_scoreonly( rfp, val, nin ); |
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465 | // fprintf( stderr, "done. val[0] = %f\n", val[0] ); |
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466 | |
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467 | |
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468 | fclose( rfp ); |
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469 | |
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470 | #if 0 |
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471 | for( i=0; i<nin; i++ ) |
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472 | fprintf( stderr, "r[%d-%d] = %f\n", 0, i, val[i] ); |
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473 | exit( 1 ); |
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474 | #endif |
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475 | |
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476 | return( val ); |
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477 | } |
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478 | #if 0 |
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479 | static double *callblast( char **seq, Scores *scores, int nin, int query, int rewritedata ) |
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480 | { |
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481 | double *val; |
---|
482 | FILE *qfp; |
---|
483 | FILE *dfp; |
---|
484 | FILE *rfp; |
---|
485 | int i, j; |
---|
486 | char com[10000]; |
---|
487 | static char datafile[1000]; |
---|
488 | static char queryfile[1000]; |
---|
489 | static char resultfile[1000]; |
---|
490 | static int pid; |
---|
491 | static char *tmpseq; |
---|
492 | static char *tmpname; |
---|
493 | char *seqptr; |
---|
494 | int slen; |
---|
495 | int res; |
---|
496 | static Scores *scoresbk = NULL; |
---|
497 | static int ninbk = 0; |
---|
498 | |
---|
499 | if( pid == 0 ) |
---|
500 | { |
---|
501 | pid = (int)getpid(); |
---|
502 | sprintf( datafile, "/tmp/data-%d\0", pid ); |
---|
503 | sprintf( queryfile, "/tmp/query-%d\0", pid ); |
---|
504 | sprintf( resultfile, "/tmp/fasta-%d\0", pid ); |
---|
505 | |
---|
506 | tmpseq = calloc( nlenmax+1, sizeof( char ) ); |
---|
507 | tmpname = calloc( B+1, sizeof( char ) ); |
---|
508 | } |
---|
509 | |
---|
510 | val = calloc( nin, sizeof( double ) ); |
---|
511 | // fprintf( stderr, "nin=%d, q=%d\n", nin, query ); |
---|
512 | |
---|
513 | if( rewritedata ) |
---|
514 | { |
---|
515 | scoresbk = scores; |
---|
516 | ninbk = nin; |
---|
517 | fprintf( stderr, "\nformatting .. " ); |
---|
518 | dfp = fopen( datafile, "w" ); |
---|
519 | if( !dfp ) ErrorExit( "Cannot open datafile." ); |
---|
520 | for( i=0; i<nin; i++ ) |
---|
521 | { |
---|
522 | // fprintf( stderr, "i=%d / %d / %d\n", i, nin, njob ); |
---|
523 | // fprintf( stderr, "nlenmax = %d\n", nlenmax ); |
---|
524 | // fprintf( stderr, "scores[i].orilen = %d\n", scores[i].orilen ); |
---|
525 | // fprintf( stderr, "strlen( seq[scores[i].numinseq] = %d\n", strlen( seq[scores[i].numinseq] ) ); |
---|
526 | gappick0( tmpseq, seq[scores[i].numinseq] ); |
---|
527 | sprintf( tmpname, "+===========+%d \0", i ); |
---|
528 | slen = scores[i].orilen; |
---|
529 | writeData_pointer( dfp, 1, &tmpname, &slen, &tmpseq ); |
---|
530 | } |
---|
531 | fclose( dfp ); |
---|
532 | |
---|
533 | if( scoremtx == -1 ) |
---|
534 | sprintf( com, "formatdb -p f -i %s -o F", datafile ); |
---|
535 | else |
---|
536 | sprintf( com, "formatdb -i %s -o F", datafile ); |
---|
537 | system( com ); |
---|
538 | // fprintf( stderr, "done.\n" ); |
---|
539 | } |
---|
540 | |
---|
541 | |
---|
542 | gappick0( tmpseq, seq[scores[query].numinseq] ); |
---|
543 | sprintf( tmpname, "+==========+%d \0", 0 ); |
---|
544 | slen = scores[query].orilen; |
---|
545 | qfp = fopen( queryfile, "w" ); |
---|
546 | if( !qfp ) ErrorExit( "Cannot open queryfile." ); |
---|
547 | writeData_pointer( qfp, 1, &tmpname, &slen, &tmpseq ); |
---|
548 | fclose( qfp ); |
---|
549 | // fprintf( stderr, "q=%s\n", tmpseq ); |
---|
550 | |
---|
551 | fprintf( stderr, "\ncalling blast .. \n" ); |
---|
552 | if( scoremtx == -1 ) |
---|
553 | sprintf( com, "blastall -b %d -e 1e10 -p blastn -m 7 -i %s -d %s > %s\0", nin, queryfile, datafile, resultfile ); |
---|
554 | else |
---|
555 | sprintf( com, "blastall -b %d -G 10 -E 1 -e 1e10 -p blastp -m 7 -i %s -d %s > %s\0", nin, queryfile, datafile, resultfile ); |
---|
556 | res = system( com ); |
---|
557 | if( res ) ErrorExit( "error in blast" ); |
---|
558 | |
---|
559 | rfp = fopen( resultfile, "r" ); |
---|
560 | if( rfp == NULL ) |
---|
561 | ErrorExit( "file 'fasta.$$' does not exist\n" ); |
---|
562 | res = ReadBlastm7_scoreonly( rfp, val, nin ); |
---|
563 | fclose( rfp ); |
---|
564 | |
---|
565 | #if 0 |
---|
566 | for( i=0; i<nin; i++ ) |
---|
567 | fprintf( stderr, "r[%d-%d] = %f\n", 0, i, val[i] ); |
---|
568 | #endif |
---|
569 | |
---|
570 | return( val ); |
---|
571 | } |
---|
572 | #endif |
---|
573 | |
---|
574 | #if 0 |
---|
575 | static void selhead( int *ar, int n ) |
---|
576 | { |
---|
577 | int min = *ar; |
---|
578 | int *minptr = ar; |
---|
579 | int *ptr = ar; |
---|
580 | int tmp; |
---|
581 | n--; |
---|
582 | ar++; |
---|
583 | while( n-- ) |
---|
584 | { |
---|
585 | if( ( tmp = *ptr++ ) < min ) |
---|
586 | { |
---|
587 | min = tmp; |
---|
588 | minptr = ptr; |
---|
589 | } |
---|
590 | } |
---|
591 | if( minptr != ar ) |
---|
592 | { |
---|
593 | tmp = *ar; |
---|
594 | *ar = min; |
---|
595 | *minptr = tmp; |
---|
596 | } |
---|
597 | return; |
---|
598 | } |
---|
599 | #endif |
---|
600 | |
---|
601 | void arguments( int argc, char *argv[] ) |
---|
602 | { |
---|
603 | int c; |
---|
604 | |
---|
605 | doalign = 0; |
---|
606 | fromaln = 0; |
---|
607 | treeout = 0; |
---|
608 | uselongest = 1; |
---|
609 | reorder = 1; |
---|
610 | nevermemsave = 0; |
---|
611 | inputfile = NULL; |
---|
612 | fftkeika = 0; |
---|
613 | constraint = 0; |
---|
614 | nblosum = 62; |
---|
615 | fmodel = 0; |
---|
616 | calledByXced = 0; |
---|
617 | devide = 0; |
---|
618 | use_fft = 0; |
---|
619 | force_fft = 0; |
---|
620 | fftscore = 1; |
---|
621 | fftRepeatStop = 0; |
---|
622 | fftNoAnchStop = 0; |
---|
623 | weight = 3; |
---|
624 | utree = 1; |
---|
625 | tbutree = 1; |
---|
626 | refine = 0; |
---|
627 | check = 1; |
---|
628 | cut = 0.0; |
---|
629 | disp = 0; |
---|
630 | outgap = 1; |
---|
631 | alg = 'A'; |
---|
632 | mix = 0; |
---|
633 | tbitr = 0; |
---|
634 | scmtd = 5; |
---|
635 | tbweight = 0; |
---|
636 | tbrweight = 3; |
---|
637 | checkC = 0; |
---|
638 | treemethod = 'X'; |
---|
639 | contin = 0; |
---|
640 | scoremtx = 1; |
---|
641 | kobetsubunkatsu = 0; |
---|
642 | dorp = NOTSPECIFIED; |
---|
643 | ppenalty = -1530; |
---|
644 | ppenalty_ex = NOTSPECIFIED; |
---|
645 | poffset = -123; |
---|
646 | kimuraR = NOTSPECIFIED; |
---|
647 | pamN = NOTSPECIFIED; |
---|
648 | geta2 = GETA2; |
---|
649 | fftWinSize = NOTSPECIFIED; |
---|
650 | fftThreshold = NOTSPECIFIED; |
---|
651 | TMorJTT = JTT; |
---|
652 | classsize = NOTSPECIFIED; |
---|
653 | picksize = NOTSPECIFIED; |
---|
654 | tokyoripara = NOTSPECIFIED; |
---|
655 | |
---|
656 | while( --argc > 0 && (*++argv)[0] == '-' ) |
---|
657 | { |
---|
658 | while ( ( c = *++argv[0] ) ) |
---|
659 | { |
---|
660 | switch( c ) |
---|
661 | { |
---|
662 | case 'p': |
---|
663 | picksize = atoi( *++argv ); |
---|
664 | fprintf( stderr, "picksize = %d\n", picksize ); |
---|
665 | --argc; |
---|
666 | goto nextoption; |
---|
667 | case 's': |
---|
668 | classsize = atoi( *++argv ); |
---|
669 | fprintf( stderr, "groupsize = %d\n", classsize ); |
---|
670 | --argc; |
---|
671 | goto nextoption; |
---|
672 | case 'i': |
---|
673 | inputfile = *++argv; |
---|
674 | fprintf( stderr, "inputfile = %s\n", inputfile ); |
---|
675 | --argc; |
---|
676 | goto nextoption; |
---|
677 | case 'f': |
---|
678 | ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); |
---|
679 | // fprintf( stderr, "ppenalty = %d\n", ppenalty ); |
---|
680 | --argc; |
---|
681 | goto nextoption; |
---|
682 | case 'g': |
---|
683 | ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); |
---|
684 | fprintf( stderr, "ppenalty_ex = %d\n", ppenalty_ex ); |
---|
685 | --argc; |
---|
686 | goto nextoption; |
---|
687 | case 'h': |
---|
688 | poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); |
---|
689 | // fprintf( stderr, "poffset = %d\n", poffset ); |
---|
690 | --argc; |
---|
691 | goto nextoption; |
---|
692 | case 'k': |
---|
693 | kimuraR = atoi( *++argv ); |
---|
694 | fprintf( stderr, "kimuraR = %d\n", kimuraR ); |
---|
695 | --argc; |
---|
696 | goto nextoption; |
---|
697 | case 'b': |
---|
698 | nblosum = atoi( *++argv ); |
---|
699 | scoremtx = 1; |
---|
700 | // fprintf( stderr, "blosum %d\n", nblosum ); |
---|
701 | --argc; |
---|
702 | goto nextoption; |
---|
703 | case 'j': |
---|
704 | pamN = atoi( *++argv ); |
---|
705 | scoremtx = 0; |
---|
706 | TMorJTT = JTT; |
---|
707 | fprintf( stderr, "jtt %d\n", pamN ); |
---|
708 | --argc; |
---|
709 | goto nextoption; |
---|
710 | case 'm': |
---|
711 | pamN = atoi( *++argv ); |
---|
712 | scoremtx = 0; |
---|
713 | TMorJTT = TM; |
---|
714 | fprintf( stderr, "tm %d\n", pamN ); |
---|
715 | --argc; |
---|
716 | goto nextoption; |
---|
717 | case 'T': |
---|
718 | tokyoripara = (double)atof( *++argv ); |
---|
719 | --argc; |
---|
720 | goto nextoption; |
---|
721 | case 'l': |
---|
722 | uselongest = 0; |
---|
723 | break; |
---|
724 | #if 1 |
---|
725 | case 'a': |
---|
726 | fmodel = 1; |
---|
727 | break; |
---|
728 | #endif |
---|
729 | case 'S': |
---|
730 | doalign = 'f'; |
---|
731 | break; |
---|
732 | case 'Z': |
---|
733 | fromaln = 1; |
---|
734 | break; |
---|
735 | case 'L': |
---|
736 | doalign = 1; |
---|
737 | break; |
---|
738 | case 'x': |
---|
739 | reorder = 0; |
---|
740 | break; |
---|
741 | case 't': |
---|
742 | treeout = 1; |
---|
743 | break; |
---|
744 | case 'r': |
---|
745 | fmodel = -1; |
---|
746 | break; |
---|
747 | case 'D': |
---|
748 | dorp = 'd'; |
---|
749 | break; |
---|
750 | case 'P': |
---|
751 | dorp = 'p'; |
---|
752 | break; |
---|
753 | case 'e': |
---|
754 | fftscore = 0; |
---|
755 | break; |
---|
756 | case 'O': |
---|
757 | fftNoAnchStop = 1; |
---|
758 | break; |
---|
759 | #if 0 |
---|
760 | case 'R': |
---|
761 | fftRepeatStop = 1; |
---|
762 | break; |
---|
763 | case 'Q': |
---|
764 | calledByXced = 1; |
---|
765 | break; |
---|
766 | case 'a': |
---|
767 | alg = 'a'; |
---|
768 | break; |
---|
769 | #endif |
---|
770 | case 'R': |
---|
771 | alg = 'R'; |
---|
772 | break; |
---|
773 | case 'Q': |
---|
774 | alg = 'Q'; |
---|
775 | break; |
---|
776 | case 'A': |
---|
777 | alg = 'A'; |
---|
778 | break; |
---|
779 | case 'N': |
---|
780 | nevermemsave = 1; |
---|
781 | break; |
---|
782 | case 'M': |
---|
783 | alg = 'M'; |
---|
784 | break; |
---|
785 | case 'C': |
---|
786 | alg = 'C'; |
---|
787 | break; |
---|
788 | case 'F': |
---|
789 | use_fft = 1; |
---|
790 | break; |
---|
791 | case 'G': |
---|
792 | use_fft = 1; |
---|
793 | force_fft = 1; |
---|
794 | break; |
---|
795 | case 'v': |
---|
796 | tbrweight = 3; |
---|
797 | break; |
---|
798 | case 'd': |
---|
799 | disp = 1; |
---|
800 | break; |
---|
801 | case 'o': |
---|
802 | outgap = 0; |
---|
803 | break; |
---|
804 | case 'J': |
---|
805 | tbutree = 0; |
---|
806 | break; |
---|
807 | case 'X': |
---|
808 | treemethod = 'X'; // mix |
---|
809 | break; |
---|
810 | case 'E': |
---|
811 | treemethod = 'E'; // upg (average) |
---|
812 | break; |
---|
813 | case 'q': |
---|
814 | treemethod = 'q'; // minimum |
---|
815 | break; |
---|
816 | case 'z': |
---|
817 | fftThreshold = atoi( *++argv ); |
---|
818 | --argc; |
---|
819 | goto nextoption; |
---|
820 | case 'w': |
---|
821 | fftWinSize = atoi( *++argv ); |
---|
822 | --argc; |
---|
823 | goto nextoption; |
---|
824 | default: |
---|
825 | fprintf( stderr, "illegal option %c\n", c ); |
---|
826 | argc = 0; |
---|
827 | break; |
---|
828 | } |
---|
829 | } |
---|
830 | nextoption: |
---|
831 | ; |
---|
832 | } |
---|
833 | if( argc == 1 ) |
---|
834 | { |
---|
835 | cut = atof( (*argv) ); |
---|
836 | argc--; |
---|
837 | } |
---|
838 | if( argc != 0 ) |
---|
839 | { |
---|
840 | fprintf( stderr, "options: Check source file !\n" ); |
---|
841 | exit( 1 ); |
---|
842 | } |
---|
843 | if( tbitr == 1 && outgap == 0 ) |
---|
844 | { |
---|
845 | fprintf( stderr, "conflicting options : o, m or u\n" ); |
---|
846 | exit( 1 ); |
---|
847 | } |
---|
848 | if( alg == 'C' && outgap == 0 ) |
---|
849 | { |
---|
850 | fprintf( stderr, "conflicting options : C, o\n" ); |
---|
851 | exit( 1 ); |
---|
852 | } |
---|
853 | } |
---|
854 | |
---|
855 | static int maxl; |
---|
856 | static int tsize; |
---|
857 | static int nunknown = 0; |
---|
858 | |
---|
859 | int seq_grp_nuc( int *grp, char *seq ) |
---|
860 | { |
---|
861 | int tmp; |
---|
862 | int *grpbk = grp; |
---|
863 | while( *seq ) |
---|
864 | { |
---|
865 | tmp = amino_grp[(int)*seq++]; |
---|
866 | if( tmp < 4 ) |
---|
867 | *grp++ = tmp; |
---|
868 | else |
---|
869 | nunknown++; |
---|
870 | } |
---|
871 | *grp = END_OF_VEC; |
---|
872 | return( grp-grpbk ); |
---|
873 | } |
---|
874 | |
---|
875 | int seq_grp( int *grp, char *seq ) |
---|
876 | { |
---|
877 | int tmp; |
---|
878 | int *grpbk = grp; |
---|
879 | while( *seq ) |
---|
880 | { |
---|
881 | tmp = amino_grp[(int)*seq++]; |
---|
882 | if( tmp < 6 ) |
---|
883 | *grp++ = tmp; |
---|
884 | else |
---|
885 | nunknown++; |
---|
886 | } |
---|
887 | *grp = END_OF_VEC; |
---|
888 | return( grp-grpbk ); |
---|
889 | } |
---|
890 | |
---|
891 | void makecompositiontable_p( short *table, int *pointt ) |
---|
892 | { |
---|
893 | int point; |
---|
894 | |
---|
895 | while( ( point = *pointt++ ) != END_OF_VEC ) |
---|
896 | table[point]++; |
---|
897 | } |
---|
898 | |
---|
899 | int commonsextet_p( short *table, int *pointt ) |
---|
900 | { |
---|
901 | int value = 0; |
---|
902 | short tmp; |
---|
903 | int point; |
---|
904 | static short *memo = NULL; |
---|
905 | static int *ct = NULL; |
---|
906 | static int *cp; |
---|
907 | |
---|
908 | if( !memo ) |
---|
909 | { |
---|
910 | memo = (short *)calloc( tsize, sizeof( short ) ); |
---|
911 | if( !memo ) ErrorExit( "Cannot allocate memo\n" ); |
---|
912 | ct = (int *)calloc( MIN( maxl, tsize )+1, sizeof( int ) ); |
---|
913 | if( !ct ) ErrorExit( "Cannot allocate memo\n" ); |
---|
914 | } |
---|
915 | |
---|
916 | cp = ct; |
---|
917 | while( ( point = *pointt++ ) != END_OF_VEC ) |
---|
918 | { |
---|
919 | tmp = memo[point]++; |
---|
920 | if( tmp < table[point] ) |
---|
921 | value++; |
---|
922 | if( tmp == 0 ) *cp++ = point; |
---|
923 | } |
---|
924 | *cp = END_OF_VEC; |
---|
925 | |
---|
926 | cp = ct; |
---|
927 | while( *cp != END_OF_VEC ) |
---|
928 | memo[*cp++] = 0; |
---|
929 | |
---|
930 | return( value ); |
---|
931 | } |
---|
932 | |
---|
933 | void makepointtable_nuc( int *pointt, int *n ) |
---|
934 | { |
---|
935 | int point; |
---|
936 | register int *p; |
---|
937 | |
---|
938 | p = n; |
---|
939 | point = *n++ * 1024; |
---|
940 | point += *n++ * 256; |
---|
941 | point += *n++ * 64; |
---|
942 | point += *n++ * 16; |
---|
943 | point += *n++ * 4; |
---|
944 | point += *n++; |
---|
945 | *pointt++ = point; |
---|
946 | |
---|
947 | while( *n != END_OF_VEC ) |
---|
948 | { |
---|
949 | point -= *p++ * 1024; |
---|
950 | point *= 4; |
---|
951 | point += *n++; |
---|
952 | *pointt++ = point; |
---|
953 | } |
---|
954 | *pointt = END_OF_VEC; |
---|
955 | } |
---|
956 | |
---|
957 | void makepointtable( int *pointt, int *n ) |
---|
958 | { |
---|
959 | int point; |
---|
960 | register int *p; |
---|
961 | |
---|
962 | p = n; |
---|
963 | point = *n++ * 7776; |
---|
964 | point += *n++ * 1296; |
---|
965 | point += *n++ * 216; |
---|
966 | point += *n++ * 36; |
---|
967 | point += *n++ * 6; |
---|
968 | point += *n++; |
---|
969 | *pointt++ = point; |
---|
970 | |
---|
971 | while( *n != END_OF_VEC ) |
---|
972 | { |
---|
973 | point -= *p++ * 7776; |
---|
974 | point *= 6; |
---|
975 | point += *n++; |
---|
976 | *pointt++ = point; |
---|
977 | } |
---|
978 | *pointt = END_OF_VEC; |
---|
979 | } |
---|
980 | |
---|
981 | #if 1 |
---|
982 | static void pairalign( int nseq, int *nlen, char **seq, int *mem1, int *mem2, double *weight, int *alloclen ) |
---|
983 | { |
---|
984 | int l, len1, len2; |
---|
985 | int clus1, clus2; |
---|
986 | float pscore, tscore; |
---|
987 | static int *fftlog; |
---|
988 | static char *indication1, *indication2; |
---|
989 | static double *effarr1 = NULL; |
---|
990 | static double *effarr2 = NULL; |
---|
991 | static char **mseq1, **mseq2; |
---|
992 | float dumfl = 0.0; |
---|
993 | int ffttry; |
---|
994 | int m1, m2; |
---|
995 | #if 0 |
---|
996 | int i, j; |
---|
997 | #endif |
---|
998 | |
---|
999 | |
---|
1000 | if( effarr1 == NULL ) |
---|
1001 | { |
---|
1002 | fftlog = AllocateIntVec( nseq ); |
---|
1003 | effarr1 = AllocateDoubleVec( nseq ); |
---|
1004 | effarr2 = AllocateDoubleVec( nseq ); |
---|
1005 | indication1 = AllocateCharVec( 150 ); |
---|
1006 | indication2 = AllocateCharVec( 150 ); |
---|
1007 | mseq1 = AllocateCharMtx( nseq, 0 ); |
---|
1008 | mseq2 = AllocateCharMtx( nseq, 0 ); |
---|
1009 | for( l=0; l<nseq; l++ ) fftlog[l] = 1; |
---|
1010 | } |
---|
1011 | |
---|
1012 | tscore = 0.0; |
---|
1013 | m1 = mem1[0]; |
---|
1014 | m2 = mem2[0]; |
---|
1015 | len1 = strlen( seq[m1] ); |
---|
1016 | len2 = strlen( seq[m2] ); |
---|
1017 | if( *alloclen < len1 + len2 ) |
---|
1018 | { |
---|
1019 | fprintf( stderr, "\nReallocating.." ); |
---|
1020 | *alloclen = ( len1 + len2 ) + 1000; |
---|
1021 | ReallocateCharMtx( seq, nseq, *alloclen + 10 ); |
---|
1022 | fprintf( stderr, "done. *alloclen = %d\n", *alloclen ); |
---|
1023 | } |
---|
1024 | |
---|
1025 | #if WEIGHT |
---|
1026 | clus1 = fastconjuction_noname( mem1, seq, mseq1, effarr1, weight, indication1 ); |
---|
1027 | clus2 = fastconjuction_noname( mem2, seq, mseq2, effarr2, weight, indication2 ); |
---|
1028 | #else |
---|
1029 | clus1 = fastconjuction_noweight( mem1, seq, mseq1, effarr1, indication1 ); |
---|
1030 | clus2 = fastconjuction_noweight( mem2, seq, mseq2, effarr2, indication2 ); |
---|
1031 | #endif |
---|
1032 | |
---|
1033 | #if 0 |
---|
1034 | for( i=0; i<clus1; i++ ) |
---|
1035 | fprintf( stderr, "in p seq[%d] = %s\n", mem1[i], seq[mem1[i]] ); |
---|
1036 | for( i=0; i<clus2; i++ ) |
---|
1037 | fprintf( stderr, "in p seq[%d] = %s\n", mem2[i], seq[mem2[i]] ); |
---|
1038 | #endif |
---|
1039 | |
---|
1040 | #if 0 |
---|
1041 | fprintf( stderr, "group1 = %.66s", indication1 ); |
---|
1042 | if( strlen( indication1 ) > 66 ) fprintf( stderr, "..." ); |
---|
1043 | fprintf( stderr, "\n" ); |
---|
1044 | fprintf( stderr, "group2 = %.66s", indication2 ); |
---|
1045 | if( strlen( indication2 ) > 66 ) fprintf( stderr, "..." ); |
---|
1046 | fprintf( stderr, "\n" ); |
---|
1047 | #endif |
---|
1048 | |
---|
1049 | // fprintf( stdout, "mseq1 = %s\n", mseq1[0] ); |
---|
1050 | // fprintf( stdout, "mseq2 = %s\n", mseq2[0] ); |
---|
1051 | |
---|
1052 | if( !nevermemsave && ( alg != 'M' && ( len1 > 10000 || len2 > 10000 ) ) ) |
---|
1053 | { |
---|
1054 | fprintf( stderr, "\nlen1=%d, len2=%d, Switching to the memsave mode\n", len1, len2 ); |
---|
1055 | alg = 'M'; |
---|
1056 | if( commonIP ) FreeIntMtx( commonIP ); |
---|
1057 | commonIP = 0; |
---|
1058 | commonAlloc1 = 0; |
---|
1059 | commonAlloc2 = 0; |
---|
1060 | } |
---|
1061 | |
---|
1062 | if( fftlog[m1] && fftlog[m2] ) ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 ); |
---|
1063 | else ffttry = 0; |
---|
1064 | |
---|
1065 | if( force_fft || ( use_fft && ffttry ) ) |
---|
1066 | { |
---|
1067 | fprintf( stderr, "\bf" ); |
---|
1068 | if( alg == 'M' ) |
---|
1069 | { |
---|
1070 | fprintf( stderr, "\bm" ); |
---|
1071 | // fprintf( stderr, "%d-%d", clus1, clus2 ); |
---|
1072 | pscore = Falign_udpari_long( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, fftlog+m1 ); |
---|
1073 | } |
---|
1074 | else |
---|
1075 | { |
---|
1076 | // fprintf( stderr, "%d-%d", clus1, clus2 ); |
---|
1077 | pscore = Falign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, fftlog+m1, NULL, 0, NULL ); |
---|
1078 | } |
---|
1079 | } |
---|
1080 | else |
---|
1081 | { |
---|
1082 | fprintf( stderr, "\bd" ); |
---|
1083 | fftlog[m1] = 0; |
---|
1084 | switch( alg ) |
---|
1085 | { |
---|
1086 | case( 'a' ): |
---|
1087 | pscore = Aalign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen ); |
---|
1088 | break; |
---|
1089 | case( 'M' ): |
---|
1090 | fprintf( stderr, "\bm" ); |
---|
1091 | // fprintf( stderr, "%d-%d", clus1, clus2 ); |
---|
1092 | pscore = MSalignmm( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); |
---|
1093 | break; |
---|
1094 | case( 'Q' ): |
---|
1095 | if( clus1 == 1 && clus2 == 1 ) |
---|
1096 | { |
---|
1097 | // fprintf( stderr, "%d-%d", clus1, clus2 ); |
---|
1098 | pscore = G__align11( mseq1, mseq2, *alloclen, outgap, outgap ); |
---|
1099 | } |
---|
1100 | else |
---|
1101 | { |
---|
1102 | // fprintf( stderr, "%d-%d", clus1, clus2 ); |
---|
1103 | pscore = Q__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL ); |
---|
1104 | } |
---|
1105 | break; |
---|
1106 | case( 'A' ): |
---|
1107 | if( clus1 == 1 && clus2 == 1 ) |
---|
1108 | { |
---|
1109 | // fprintf( stderr, "%d-%d", clus1, clus2 ); |
---|
1110 | pscore = G__align11( mseq1, mseq2, *alloclen, outgap, outgap ); |
---|
1111 | } |
---|
1112 | else |
---|
1113 | { |
---|
1114 | // fprintf( stderr, "%d-%d", clus1, clus2 ); |
---|
1115 | pscore = A__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); |
---|
1116 | } |
---|
1117 | break; |
---|
1118 | default: |
---|
1119 | ErrorExit( "ERROR IN SOURCE FILE" ); |
---|
1120 | } |
---|
1121 | } |
---|
1122 | #if SCOREOUT |
---|
1123 | fprintf( stderr, "score = %10.2f\n", pscore ); |
---|
1124 | #endif |
---|
1125 | nlen[m1] = 0.5 * ( nlen[m1] + nlen[m2] ); |
---|
1126 | return; |
---|
1127 | } |
---|
1128 | #endif |
---|
1129 | |
---|
1130 | #if 0 |
---|
1131 | static void treebase( int nseq, int *nlen, char **aseq, double *eff, int nalign, int ***topol, int *alloclen ) // topol |
---|
1132 | { |
---|
1133 | int i, l; |
---|
1134 | int nlim; |
---|
1135 | int clus1, clus2; |
---|
1136 | |
---|
1137 | nlim = nalign-1; |
---|
1138 | for( l=0; l<nlim; l++ ) |
---|
1139 | { |
---|
1140 | fprintf( stderr, "in treebase, l = %d\n", l ); |
---|
1141 | fprintf( stderr, "aseq[0] = %s\n", aseq[0] ); |
---|
1142 | fprintf( stderr, "aseq[topol[l][0][0]] = %s\n", aseq[topol[l][0][0]] ); |
---|
1143 | pairalign( nseq, nlen, aseq, topol[l][0], topol[l][1], eff, alloclen ); |
---|
1144 | free( topol[l][0] ); |
---|
1145 | free( topol[l][1] ); |
---|
1146 | } |
---|
1147 | } |
---|
1148 | #endif |
---|
1149 | |
---|
1150 | static void WriteOptions( FILE *fp ) |
---|
1151 | { |
---|
1152 | |
---|
1153 | if( dorp == 'd' ) fprintf( fp, "DNA\n" ); |
---|
1154 | else |
---|
1155 | { |
---|
1156 | if ( scoremtx == 0 ) fprintf( fp, "JTT %dPAM\n", pamN ); |
---|
1157 | else if( scoremtx == 1 ) fprintf( fp, "BLOSUM %d\n", nblosum ); |
---|
1158 | else if( scoremtx == 2 ) fprintf( fp, "M-Y\n" ); |
---|
1159 | } |
---|
1160 | fprintf( stderr, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); |
---|
1161 | if( use_fft ) fprintf( fp, "FFT on\n" ); |
---|
1162 | |
---|
1163 | fprintf( fp, "tree-base method\n" ); |
---|
1164 | if( tbrweight == 0 ) fprintf( fp, "unweighted\n" ); |
---|
1165 | else if( tbrweight == 3 ) fprintf( fp, "clustalw-like weighting\n" ); |
---|
1166 | if( tbitr || tbweight ) |
---|
1167 | { |
---|
1168 | fprintf( fp, "iterate at each step\n" ); |
---|
1169 | if( tbitr && tbrweight == 0 ) fprintf( fp, " unweighted\n" ); |
---|
1170 | if( tbitr && tbrweight == 3 ) fprintf( fp, " reversely weighted\n" ); |
---|
1171 | if( tbweight ) fprintf( fp, " weighted\n" ); |
---|
1172 | fprintf( fp, "\n" ); |
---|
1173 | } |
---|
1174 | |
---|
1175 | fprintf( fp, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); |
---|
1176 | |
---|
1177 | if( alg == 'a' ) |
---|
1178 | fprintf( fp, "Algorithm A\n" ); |
---|
1179 | else if( alg == 'A' ) |
---|
1180 | fprintf( fp, "Algorithm A+\n" ); |
---|
1181 | else if( alg == 'S' ) |
---|
1182 | fprintf( fp, "Apgorithm S\n" ); |
---|
1183 | else if( alg == 'C' ) |
---|
1184 | fprintf( fp, "Apgorithm A+/C\n" ); |
---|
1185 | else |
---|
1186 | fprintf( fp, "Unknown algorithm\n" ); |
---|
1187 | |
---|
1188 | if( treemethod == 'X' ) |
---|
1189 | fprintf( fp, "Tree = UPGMA (mix).\n" ); |
---|
1190 | else if( treemethod == 'E' ) |
---|
1191 | fprintf( fp, "Tree = .UPGMA (average)\n" ); |
---|
1192 | else if( treemethod == 'q' ) |
---|
1193 | fprintf( fp, "Tree = Minimum linkage.\n" ); |
---|
1194 | else |
---|
1195 | fprintf( fp, "Unknown tree.\n" ); |
---|
1196 | |
---|
1197 | if( use_fft ) |
---|
1198 | { |
---|
1199 | fprintf( fp, "FFT on\n" ); |
---|
1200 | if( dorp == 'd' ) |
---|
1201 | fprintf( fp, "Basis : 4 nucleotides\n" ); |
---|
1202 | else |
---|
1203 | { |
---|
1204 | if( fftscore ) |
---|
1205 | fprintf( fp, "Basis : Polarity and Volume\n" ); |
---|
1206 | else |
---|
1207 | fprintf( fp, "Basis : 20 amino acids\n" ); |
---|
1208 | } |
---|
1209 | fprintf( fp, "Threshold of anchors = %d%%\n", fftThreshold ); |
---|
1210 | fprintf( fp, "window size of anchors = %dsites\n", fftWinSize ); |
---|
1211 | } |
---|
1212 | else |
---|
1213 | fprintf( fp, "FFT off\n" ); |
---|
1214 | fflush( fp ); |
---|
1215 | } |
---|
1216 | |
---|
1217 | #if 1 |
---|
1218 | static int splitseq_mq( Scores *scores, int nin, int *nlen, char **seq, char **orialn, char **name, char *inputfile, int uniform, char **tree, int *alloclen, int *order, int *whichgroup, double *weight, int *depthpt, int qinoya ) |
---|
1219 | { |
---|
1220 | int val; |
---|
1221 | int ii, jj; |
---|
1222 | int *mptr; |
---|
1223 | int treelen = 0; // by Mathog, a guess |
---|
1224 | static int groupid = 0; |
---|
1225 | static int branchid = 0; |
---|
1226 | int i, j; |
---|
1227 | int selfscore0; |
---|
1228 | double **dfromc; |
---|
1229 | double **dfromcp; |
---|
1230 | float **pickmtx; |
---|
1231 | float **yukomtx; |
---|
1232 | static short *table1; |
---|
1233 | Scores **outs, *ptr; |
---|
1234 | int *numin; |
---|
1235 | int *tsukau; |
---|
1236 | int belongto; |
---|
1237 | char **children = NULL; // by Mathog, a guess |
---|
1238 | char *tmptree; |
---|
1239 | static int *orderpos = NULL; |
---|
1240 | int rn; |
---|
1241 | int npick; |
---|
1242 | int nyuko; |
---|
1243 | int *picks; |
---|
1244 | int *yukos; |
---|
1245 | int *s_p_map; |
---|
1246 | int *p_o_map; |
---|
1247 | int *s_y_map; |
---|
1248 | int *y_o_map; |
---|
1249 | int *closeh; |
---|
1250 | int nkouho; |
---|
1251 | int *pickkouho; |
---|
1252 | int *iptr; |
---|
1253 | int *jptr; |
---|
1254 | int aligned; |
---|
1255 | int ***topol; |
---|
1256 | int *treeorder; |
---|
1257 | int picktmp; |
---|
1258 | float **len; |
---|
1259 | double minscore; |
---|
1260 | // double *minscoreinpick; |
---|
1261 | float *hanni; |
---|
1262 | double lenfac; |
---|
1263 | double longer; |
---|
1264 | double shorter; |
---|
1265 | static char **mseq1 = NULL; |
---|
1266 | static char **mseq2 = NULL; |
---|
1267 | double *blastresults = NULL; // by Mathog, a guess |
---|
1268 | static int palloclen = 0; |
---|
1269 | float maxdist; |
---|
1270 | |
---|
1271 | if( orderpos == NULL ) |
---|
1272 | orderpos = order; |
---|
1273 | if( palloclen == 0 ) |
---|
1274 | palloclen = *alloclen * 2; |
---|
1275 | if( mseq1 == NULL && doalign == 1 ) |
---|
1276 | { |
---|
1277 | mseq1 = AllocateCharMtx( 1, palloclen ); |
---|
1278 | mseq2 = AllocateCharMtx( 1, palloclen ); |
---|
1279 | } |
---|
1280 | |
---|
1281 | if( nin == 0 ) |
---|
1282 | { |
---|
1283 | #if TREE |
---|
1284 | if( treeout ) |
---|
1285 | { |
---|
1286 | *tree = (char *)calloc( 1, sizeof( char ) ); |
---|
1287 | **tree = 0; |
---|
1288 | } |
---|
1289 | #endif |
---|
1290 | return 1; |
---|
1291 | } |
---|
1292 | |
---|
1293 | if( nin < 2 || uniform == -1 ) // kokodato muda deha nai ga |
---|
1294 | { |
---|
1295 | fprintf( stderr, "\nLeaf %d / %d ", ++branchid, njob ); |
---|
1296 | #if 0 |
---|
1297 | outputfile = AllocateCharVec( strlen( inputfile ) + 100 ); |
---|
1298 | sprintf( outputfile, "%s-%d", inputfile, branchid ); |
---|
1299 | if( uniform > 0 ) |
---|
1300 | // sprintf( outputfile, "%su%d", outputfile, uniform ); |
---|
1301 | sprintf( outputfile + strlen(outputfile), "u%d", uniform ); |
---|
1302 | fprintf( stderr, "GROUP %d: %d member(s) (%d) %s\n", branchid, nin, scores[0].numinseq, outputfile ); |
---|
1303 | outfp = fopen( outputfile, "w" ); |
---|
1304 | free( outputfile ); |
---|
1305 | if( outfp == NULL ) |
---|
1306 | { |
---|
1307 | fprintf( stderr, "Cannot open %s\n", outputfile ); |
---|
1308 | exit( 1 ); |
---|
1309 | } |
---|
1310 | for( j=0; j<nin; j++ ) |
---|
1311 | fprintf( outfp, ">G%d %s\n%s\n", branchid, scores[j].name+1, seq[scores[j].numinseq] ); |
---|
1312 | fclose( outfp ); |
---|
1313 | #endif |
---|
1314 | |
---|
1315 | |
---|
1316 | #if TREE |
---|
1317 | if( treeout ) |
---|
1318 | { |
---|
1319 | treelen = 0; |
---|
1320 | tmptree = calloc( 100, sizeof( char ) ); |
---|
1321 | for( j=0; j<nin; j++ ) |
---|
1322 | { |
---|
1323 | treelen += sprintf( tmptree, "%d", scores[j].numinseq+1 ); |
---|
1324 | } |
---|
1325 | free( tmptree ); |
---|
1326 | |
---|
1327 | *tree = (char *)calloc( treelen + nin + 15, sizeof( char ) ); |
---|
1328 | **tree = '\n'; |
---|
1329 | if( nin > 1 ) |
---|
1330 | { |
---|
1331 | *(*tree+1) = '('; |
---|
1332 | *(*tree+2) = '\0'; |
---|
1333 | } |
---|
1334 | else |
---|
1335 | { |
---|
1336 | *(*tree+1) = '\0'; |
---|
1337 | } |
---|
1338 | for( j=0; j<nin-1; j++ ) |
---|
1339 | { |
---|
1340 | sprintf( *tree+strlen( *tree ), "%d,", scores[j].numinseq+1 ); |
---|
1341 | } |
---|
1342 | sprintf( *tree+strlen( *tree ), "%d", scores[j].numinseq+1 ); |
---|
1343 | if( nin > 1 ) strcat( *tree, ")\n" ); |
---|
1344 | else strcat( *tree, "\n" ); |
---|
1345 | // fprintf( stdout, "*tree = %s\n", *tree ); |
---|
1346 | } |
---|
1347 | |
---|
1348 | #endif |
---|
1349 | for( j=0; j<nin; j++ ) |
---|
1350 | { |
---|
1351 | *orderpos++ = scores[j].numinseq; |
---|
1352 | // fprintf( stderr, "*order = %d\n", scores[j].numinseq ); |
---|
1353 | } |
---|
1354 | |
---|
1355 | return 1; |
---|
1356 | } |
---|
1357 | |
---|
1358 | |
---|
1359 | |
---|
1360 | if( uselongest ) |
---|
1361 | { |
---|
1362 | i = nin; |
---|
1363 | ptr = scores; |
---|
1364 | selfscore0 = scores->selfscore; |
---|
1365 | belongto = 0; |
---|
1366 | while( i-- ) |
---|
1367 | { |
---|
1368 | // fprintf( stderr, "ptr-scores=%d, numinseq = %d, score = %f\n", ptr-scores, ptr->numinseq+1, ptr->score ); |
---|
1369 | if( ptr->selfscore > selfscore0 ) |
---|
1370 | { |
---|
1371 | selfscore0 = ptr->selfscore; |
---|
1372 | belongto = ptr-scores; |
---|
1373 | } |
---|
1374 | ptr++; |
---|
1375 | } |
---|
1376 | #if 1 |
---|
1377 | if( belongto != 0 ) |
---|
1378 | { |
---|
1379 | // fprintf( stderr, "swap %d %s\n<->\n%d %s\n", 0, scores->name, belongto, (scores+belongto)->name ); |
---|
1380 | ptr = calloc( 1, sizeof( Scores ) ); |
---|
1381 | *ptr = scores[belongto]; |
---|
1382 | scores[belongto] = *scores; |
---|
1383 | *scores = *ptr; |
---|
1384 | free( ptr ); |
---|
1385 | } |
---|
1386 | #endif |
---|
1387 | } |
---|
1388 | else |
---|
1389 | { |
---|
1390 | qsort( scores, nin, sizeof( Scores ), (int (*)())lcompare ); |
---|
1391 | belongto = (int)( 0.5 * nin ); |
---|
1392 | // fprintf( stderr, "lengths = %d, %d, %d\n", scores->orilen, scores[belongto].orilen, scores[nin-1].orilen ); |
---|
1393 | if( belongto != 0 ) |
---|
1394 | { |
---|
1395 | // fprintf( stderr, "swap %d %s\n<->\n%d %s\n", 0, scores->name, belongto, (scores+belongto)->name ); |
---|
1396 | ptr = calloc( 1, sizeof( Scores ) ); |
---|
1397 | *ptr = scores[belongto]; |
---|
1398 | scores[belongto] = *scores; |
---|
1399 | *scores = *ptr; |
---|
1400 | free( ptr ); |
---|
1401 | } |
---|
1402 | } |
---|
1403 | |
---|
1404 | if( qinoya != scores->numinseq ) |
---|
1405 | // if( 1 || qinoya != scores->numinseq ) |
---|
1406 | { |
---|
1407 | // fprintf( stdout, "### scores->numinseq = %d, qinoya=%d, depth=%d\n", scores->numinseq, qinoya, *depthpt ); |
---|
1408 | |
---|
1409 | |
---|
1410 | if( doalign ) |
---|
1411 | { |
---|
1412 | if( doalign == 'f' ) |
---|
1413 | { |
---|
1414 | blastresults = callfasta( seq, scores, nin, NULL, 0, 1 ); |
---|
1415 | if( scores->selfscore != (int)blastresults[0] ) |
---|
1416 | { |
---|
1417 | fprintf( stderr, "\n\nWARNING1: selfscore\n" ); |
---|
1418 | fprintf( stderr, "scores->numinseq = %d\n", scores->numinseq+1 ); |
---|
1419 | fprintf( stderr, "scores->orilen = %d\n", scores->orilen ); |
---|
1420 | fprintf( stderr, "scores->selfscore = %d, but blastresults[0] = %f\n", scores->selfscore, blastresults[0] ); |
---|
1421 | // if( abs( scores->selfscore - (int)blastresults[0] ) > 2 ) |
---|
1422 | // exit( 1 ); |
---|
1423 | // scores->selfscore = (int)blastresults[0]; //iinoka? |
---|
1424 | |
---|
1425 | // exit( 1 ); |
---|
1426 | } |
---|
1427 | } |
---|
1428 | else |
---|
1429 | gappick0( mseq1[0], seq[scores->numinseq] ); |
---|
1430 | } |
---|
1431 | else |
---|
1432 | { |
---|
1433 | table1 = (short *)calloc( tsize, sizeof( short ) ); |
---|
1434 | if( !table1 ) ErrorExit( "Cannot allocate table1\n" ); |
---|
1435 | makecompositiontable_p( table1, scores[0].pointt ); |
---|
1436 | } |
---|
1437 | |
---|
1438 | selfscore0 = scores[0].selfscore; |
---|
1439 | for( i=0; i<nin; i++ ) |
---|
1440 | { |
---|
1441 | if( scores->orilen > scores[i].orilen ) |
---|
1442 | { |
---|
1443 | longer = (double)scores->orilen; |
---|
1444 | shorter = (double)scores[i].orilen; |
---|
1445 | } |
---|
1446 | else |
---|
1447 | { |
---|
1448 | longer = (double)scores[i].orilen; // nai |
---|
1449 | shorter = (double)scores->orilen; //nai |
---|
1450 | } |
---|
1451 | |
---|
1452 | #if LENFAC |
---|
1453 | lenfac = 1.0 / ( shorter / longer * lenfacd + lenfacb / ( longer + lenfacc ) + lenfaca ); |
---|
1454 | // lenfac = 1.0 / ( (double)LENFACA + (double)LENFACB / ( (double)longer + (double)LENFACC ) + (double)shorter / (double)longer * LENFACD ); |
---|
1455 | // fprintf( stderr, "lenfac = %f l=%d,%d\n", lenfac,scores->orilen, scores[i].orilen ); |
---|
1456 | #else |
---|
1457 | lenfac = 1.0; |
---|
1458 | #endif |
---|
1459 | |
---|
1460 | if( doalign ) |
---|
1461 | { |
---|
1462 | if( doalign == 'f' ) |
---|
1463 | { |
---|
1464 | scores[i].score = ( 1.0 - blastresults[i] / MIN( scores->selfscore, scores[i].selfscore ) ) * 1; |
---|
1465 | if( scores[i].score < 0.0 ) scores[i].score = 0.0; |
---|
1466 | } |
---|
1467 | else |
---|
1468 | { |
---|
1469 | if( fromaln ) |
---|
1470 | { |
---|
1471 | // scores[i].score = ( 1.0 - (double)G__align11_noalign( amino_disLN, mseq1, mseq2, palloclen ) / MIN( selfscore0, scores[i].selfscore ) ) * 1; |
---|
1472 | scores[i].score = ( 1.0 - (double)naivepairscore11( orialn[scores[i].numinseq], orialn[scores->numinseq], penalty ) / MIN( selfscore0, scores[i].selfscore ) ) * 1; |
---|
1473 | } |
---|
1474 | else |
---|
1475 | { |
---|
1476 | if( *depthpt == 0 ) fprintf( stderr, "\r%d / %d ", i, nin ); |
---|
1477 | gappick0( mseq2[0], seq[scores[i].numinseq] ); |
---|
1478 | // fprintf( stdout, "### before calc scores[%d] = %f (%c)\n", i, scores[i].score, qinoya == scores->numinseq?'o':'x' ); |
---|
1479 | scores[i].score = ( 1.0 - (double)G__align11_noalign( amino_disLN, -1200, -60, mseq1, mseq2, palloclen ) / MIN( selfscore0, scores[i].selfscore ) ) * 1; |
---|
1480 | // fprintf( stderr, "scores[i] = %f\n", scores[i].score ); |
---|
1481 | // fprintf( stderr, "m1=%s\n", seq[scores[0].numinseq] ); |
---|
1482 | // fprintf( stderr, "m2=%s\n", seq[scores[i].numinseq] ); |
---|
1483 | // fprintf( stdout, "### before calc scores[%d] = %f (%c)\n", i, scores[i].score, qinoya == scores->numinseq?'o':'x' ); |
---|
1484 | } |
---|
1485 | } |
---|
1486 | } |
---|
1487 | else |
---|
1488 | { |
---|
1489 | scores[i].score = ( 1.0 - (double)commonsextet_p( table1, scores[i].pointt ) / MIN( selfscore0, scores[i].selfscore ) ) * lenfac; |
---|
1490 | if( scores[i].score > MAX6DIST ) scores[i].score = MAX6DIST; |
---|
1491 | } |
---|
1492 | // if( i ) fprintf( stderr, "%d-%d d %4.2f len %d %d\n", 1, i+1, scores[i].score, scores->orilen, scores[i].orilen ); |
---|
1493 | } |
---|
1494 | if( doalign == 'f' ) free( blastresults ); |
---|
1495 | if( doalign == 0 ) free( table1 ); |
---|
1496 | //exit( 1 ); |
---|
1497 | } |
---|
1498 | |
---|
1499 | // fprintf( stderr, "sorting .. " ); |
---|
1500 | qsort( scores, nin, sizeof( Scores ), (int (*)())dcompare ); |
---|
1501 | // fprintf( stderr, "done.\n" ); |
---|
1502 | |
---|
1503 | |
---|
1504 | maxdist = scores[nin-1].score; |
---|
1505 | if( fromaln ) // kanzen itch ga misalign sareteiru kamoshirenai. |
---|
1506 | { |
---|
1507 | if( scores[0].shimon == scores[nin-1].shimon && !strcmp( seq[scores[0].numinseq], seq[scores[nin-1].numinseq] ) ) |
---|
1508 | { |
---|
1509 | maxdist = 0.0; |
---|
1510 | } |
---|
1511 | // fprintf( stderr, "maxdist?? = %f, nin=%d, %d inori\n", scores[nin-1].score, nin, scores[nin-1].numinseq+1 ); |
---|
1512 | } |
---|
1513 | |
---|
1514 | // fprintf( stderr, "maxdist? = %f, nin=%d\n", scores[nin-1].score, nin ); |
---|
1515 | |
---|
1516 | if( nin == 1 ) fprintf( stderr, "nin=1, scores[0].score = %f\n", scores[0].score ); |
---|
1517 | |
---|
1518 | // kokoni if( nin < 2 || ... ) |
---|
1519 | |
---|
1520 | picks = AllocateIntVec( nin+1 ); |
---|
1521 | s_p_map = AllocateIntVec( nin+1 ); |
---|
1522 | s_y_map = AllocateIntVec( nin+1 ); |
---|
1523 | pickkouho = AllocateIntVec( nin+1 ); |
---|
1524 | closeh = AllocateIntVec( nin+1 ); |
---|
1525 | |
---|
1526 | // nkouho = getkouho( pickkouho, (picksize+100)/nin, nin, scores, seq ); |
---|
1527 | // nkouho = getkouho( pickkouho, 1.0, nin, scores, seq ); // zenbu |
---|
1528 | // fprintf( stderr, "selecting kouhos phase 2\n" ); |
---|
1529 | // if( nkouho == 0 ) |
---|
1530 | // { |
---|
1531 | // fprintf( stderr, "selecting kouhos, phase 2\n" ); |
---|
1532 | // nkouho = getkouho( pickkouho, 1.0, nin, scores, seq ); |
---|
1533 | // } |
---|
1534 | // fprintf( stderr, "\ndone\n\n" ); |
---|
1535 | for( i=0; i<nin; i++ ) pickkouho[i] = i+1; nkouho = nin-1; // zenbu |
---|
1536 | |
---|
1537 | |
---|
1538 | |
---|
1539 | iptr = picks; |
---|
1540 | *iptr++ = 0; |
---|
1541 | npick = 1; |
---|
1542 | if( nkouho > 0 ) |
---|
1543 | { |
---|
1544 | // fprintf( stderr, "pickkouho[0] = %d\n", pickkouho[0] ); |
---|
1545 | // fprintf( stderr, "pickkouho[nin-1] = %d\n", pickkouho[nin-1] ); |
---|
1546 | picktmp = pickkouho[nkouho-1]; |
---|
1547 | // fprintf( stderr, "\nMOST DISTANT kouho=%d, nin=%d, nkouho=%d\n", picktmp, nin, nkouho ); |
---|
1548 | nkouho--; |
---|
1549 | if( ( scores[picktmp].shimon == scores[0].shimon ) && ( !strcmp( seq[scores[0].numinseq], seq[scores[picktmp].numinseq] ) ) ) |
---|
1550 | { |
---|
1551 | // fprintf( stderr, "known, j=%d (%d inori)\n", 0, scores[picks[0]].numinseq ); |
---|
1552 | // fprintf( stderr, "%s\n%s\n", seq[scores[picktmp].numinseq], seq[scores[picks[0]].numinseq] ); |
---|
1553 | ; |
---|
1554 | } |
---|
1555 | else |
---|
1556 | { |
---|
1557 | *iptr++ = picktmp; |
---|
1558 | npick++; |
---|
1559 | // fprintf( stderr, "ok, %dth pick = %d (%d inori)\n", npick, picktmp, scores[picktmp].numinseq ); |
---|
1560 | } |
---|
1561 | } |
---|
1562 | i = 1; |
---|
1563 | while( npick<picksize && nkouho>0 ) |
---|
1564 | { |
---|
1565 | if( i ) |
---|
1566 | { |
---|
1567 | i = 0; |
---|
1568 | rn = nkouho * 0.5; |
---|
1569 | // fprintf( stderr, "rn = %d\n", rn ); |
---|
1570 | } |
---|
1571 | else |
---|
1572 | { |
---|
1573 | rn = rnd() * (nkouho); |
---|
1574 | } |
---|
1575 | picktmp = pickkouho[rn]; |
---|
1576 | // fprintf( stderr, "rn=%d/%d (%d inori), kouho=%d, nin=%d, nkouho=%d\n", rn, nkouho, scores[pickkouho[rn]].numinseq, pickkouho[rn], nin, nkouho ); |
---|
1577 | |
---|
1578 | // fprintf( stderr, "#kouho before swap\n" ); |
---|
1579 | // for( i=0; i<nkouho; i++ ) fprintf( stderr, "%d ", pickkouho[i] ); fprintf( stderr, "\n" ); |
---|
1580 | |
---|
1581 | nkouho--; |
---|
1582 | pickkouho[rn] = pickkouho[nkouho]; |
---|
1583 | #if 1 |
---|
1584 | // fprintf( stderr, "#kouho after swap\n" ); |
---|
1585 | // for( i=0; i<nkouho; i++ ) fprintf( stderr, "%d ", pickkouho[i] ); fprintf( stderr, "\n" ); |
---|
1586 | for( j=0; j<npick; j++ ) |
---|
1587 | { |
---|
1588 | if( scores[picktmp].shimon == scores[picks[j]].shimon && !strcmp( seq[scores[picks[j]].numinseq], seq[scores[picktmp].numinseq] ) ) |
---|
1589 | break; |
---|
1590 | } |
---|
1591 | if( j == npick ) |
---|
1592 | #endif |
---|
1593 | { |
---|
1594 | // fprintf( stderr, "ok, %dth pick = %d (%d inori)\n", npick, picktmp, scores[picktmp].numinseq ); |
---|
1595 | npick++; |
---|
1596 | *iptr++ = picktmp; |
---|
1597 | } |
---|
1598 | else |
---|
1599 | { |
---|
1600 | // fprintf( stderr, "known, j=%d (%d inori)\n", j, scores[picks[j]].numinseq ); |
---|
1601 | } |
---|
1602 | } |
---|
1603 | #if 0 |
---|
1604 | for( i=0; i<nin; i++ ) |
---|
1605 | { |
---|
1606 | fprintf( stderr, "i=%d/%d, scores[%d].score = %f, inori=%d\n", i, nin, i, scores[i].score, scores[i].numinseq ); |
---|
1607 | } |
---|
1608 | fprintf( stderr, "range:nin=%d scores[%d].score <= %f\n", nin, npick, scores[nin-1].score); |
---|
1609 | for( i=0; i<npick; i++ ) |
---|
1610 | { |
---|
1611 | fprintf( stderr, "i=%d/%d, scores[%d].score = %f, inori=%d\n", i, npick, picks[i], scores[picks[i]].score, scores[picks[i]].numinseq ); |
---|
1612 | } |
---|
1613 | exit( 1 ); |
---|
1614 | #endif |
---|
1615 | |
---|
1616 | // fprintf( stderr, "\nnkouho=%d, defaultq2 = %d (%d inori)\n", nkouho, picks[npick-1], scores[picks[npick-1]].numinseq ); |
---|
1617 | |
---|
1618 | qsort( picks, npick, sizeof( int ), (int (*)())intcompare ); |
---|
1619 | |
---|
1620 | // fprintf( stderr, "allocating..\n" ); |
---|
1621 | |
---|
1622 | // fprintf( stderr, "allocating outs, npick = %d\n", npick ); |
---|
1623 | numin = calloc( npick, sizeof( int ) ); |
---|
1624 | tsukau = calloc( npick, sizeof( int ) ); |
---|
1625 | outs = calloc( npick, sizeof( Scores * ) ); |
---|
1626 | for( i=0; i<npick; i++ ) outs[i] = NULL; |
---|
1627 | topol = AllocateIntCub( npick, 2, 0 ); |
---|
1628 | treeorder = AllocateIntVec( npick + 1 ); |
---|
1629 | len = AllocateFloatMtx( npick, 2 ); |
---|
1630 | pickmtx = AllocateFloatHalfMtx( npick ); |
---|
1631 | // yukomtx = AllocateFloatHalfMtx( npick ); |
---|
1632 | // minscoreinpick = AllocateDoubleVec( npick ); |
---|
1633 | yukos = AllocateIntVec( npick ); |
---|
1634 | p_o_map = AllocateIntVec( npick+1 ); |
---|
1635 | y_o_map = AllocateIntVec( npick+1 ); |
---|
1636 | hanni = AllocateFloatVec( npick ); |
---|
1637 | |
---|
1638 | for( i=0; i<nin; i++ ) s_p_map[i] = -1; |
---|
1639 | // fprintf( stderr, "npick = %d\n", npick ); |
---|
1640 | // fprintf( stderr, "picks =" ); |
---|
1641 | for( i=0; i<npick; i++ ) |
---|
1642 | { |
---|
1643 | s_p_map[picks[i]] = i; |
---|
1644 | p_o_map[i] = scores[picks[i]].numinseq; |
---|
1645 | // fprintf( stderr, " %d (%dinori)\n", picks[i], scores[picks[i]].numinseq+1 ); |
---|
1646 | } |
---|
1647 | // fprintf( stderr, "\n" ); |
---|
1648 | |
---|
1649 | #if 0 |
---|
1650 | fprintf( stderr, "p_o_map =" ); |
---|
1651 | for( i=0; i<npick; i++ ) |
---|
1652 | { |
---|
1653 | fprintf( stderr, " %d", p_o_map[i]+1 ); |
---|
1654 | } |
---|
1655 | fprintf( stderr, "\n" ); |
---|
1656 | fprintf( stderr, "picks =" ); |
---|
1657 | for( i=0; i<npick; i++ ) |
---|
1658 | { |
---|
1659 | fprintf( stderr, " %d", picks[i] ); |
---|
1660 | } |
---|
1661 | fprintf( stderr, "\n" ); |
---|
1662 | #endif |
---|
1663 | |
---|
1664 | for( j=0; j<nin; j++ ) |
---|
1665 | { |
---|
1666 | if( s_p_map[j] != -1 ) |
---|
1667 | { |
---|
1668 | pickmtx[0][s_p_map[j]] = (float)scores[j].score; |
---|
1669 | // fprintf( stderr, "pickmtx[0][%d] = %f\n", s_p_map[j], pickmtx[0][s_p_map[j]] ); |
---|
1670 | } |
---|
1671 | } |
---|
1672 | |
---|
1673 | for( j=1; j<npick; j++ ) |
---|
1674 | { |
---|
1675 | if( doalign ) |
---|
1676 | { |
---|
1677 | if( doalign == 'f' ) |
---|
1678 | { |
---|
1679 | // blastresults = callfasta( seq, scores, npick-j+1, picks+j-1, picks[j], 1 ); |
---|
1680 | blastresults = callfasta( seq, scores, npick, picks, picks[j], (j==1) ); |
---|
1681 | if( scores[picks[j]].selfscore != (int)blastresults[j] ) |
---|
1682 | { |
---|
1683 | fprintf( stderr, "\n\nWARNING2: selfscore j=%d/%d\n", j, npick ); |
---|
1684 | fprintf( stderr, "scores[picks[j]].numinseq = %d\n", scores[picks[j]].numinseq+1 ); |
---|
1685 | fprintf( stderr, "scores[picks[j]].orilen = %d\n", scores[picks[j]].orilen ); |
---|
1686 | fprintf( stderr, "scores[picks[j]].selfscore = %d, but blastresults[j] = %f\n", scores[picks[j]].selfscore, blastresults[j] ); |
---|
1687 | // if( abs( scores[picks[j]].selfscore - (int)blastresults[j] ) > 2 ) |
---|
1688 | // exit( 1 ); |
---|
1689 | // scores->selfscore = (int)blastresults[0]; //iinoka? |
---|
1690 | } |
---|
1691 | } |
---|
1692 | else |
---|
1693 | gappick0( mseq1[0], seq[scores[picks[j]].numinseq] ); |
---|
1694 | } |
---|
1695 | else |
---|
1696 | { |
---|
1697 | table1 = (short *)calloc( tsize, sizeof( short ) ); |
---|
1698 | if( !table1 ) ErrorExit( "Cannot allocate table1\n" ); |
---|
1699 | makecompositiontable_p( table1, scores[picks[j]].pointt ); |
---|
1700 | } |
---|
1701 | |
---|
1702 | selfscore0 = scores[picks[j]].selfscore; |
---|
1703 | pickmtx[j][0] = 0.0; |
---|
1704 | for( i=j+1; i<npick; i++ ) |
---|
1705 | { |
---|
1706 | if( scores[picks[j]].orilen > scores[picks[i]].orilen ) |
---|
1707 | { |
---|
1708 | longer = (double)scores[picks[j]].orilen; |
---|
1709 | shorter = (double)scores[picks[i]].orilen; |
---|
1710 | } |
---|
1711 | else |
---|
1712 | { |
---|
1713 | longer = (double)scores[picks[i]].orilen; |
---|
1714 | shorter = (double)scores[picks[j]].orilen; |
---|
1715 | } |
---|
1716 | |
---|
1717 | #if LENFAC |
---|
1718 | lenfac = 1.0 / ( shorter / longer * lenfacd + lenfacb / ( longer + lenfacc ) + lenfaca ); |
---|
1719 | // lenfac = 1.0 / ( (double)LENFACA + (double)LENFACB / ( (double)longer + (double)LENFACC ) + (double)shorter / (double)longer * LENFACD ); |
---|
1720 | // fprintf( stderr, "lenfac = %f l=%d,%d\n", lenfac,scores->orilen, scores[i].orilen ); |
---|
1721 | #else |
---|
1722 | lenfac = 1.0; |
---|
1723 | #endif |
---|
1724 | |
---|
1725 | if( doalign ) |
---|
1726 | { |
---|
1727 | if( doalign == 'f' ) |
---|
1728 | { |
---|
1729 | pickmtx[j][i-j] = ( 1.0 - blastresults[i] / MIN( selfscore0, scores[picks[i]].selfscore ) ) * 1; |
---|
1730 | if( pickmtx[j][i-j] < 0.0 ) pickmtx[j][i-j] = 0.0; |
---|
1731 | } |
---|
1732 | else |
---|
1733 | { |
---|
1734 | if( fromaln ) |
---|
1735 | { |
---|
1736 | fprintf( stderr, "%d-%d/%d\r", j, i, npick ); |
---|
1737 | pickmtx[j][i-j] = ( 1.0 - (double)naivepairscore11( orialn[scores[picks[i]].numinseq], orialn[scores[picks[j]].numinseq], penalty ) / MIN( selfscore0, scores[picks[i]].selfscore ) ) * 1; |
---|
1738 | } |
---|
1739 | else |
---|
1740 | { |
---|
1741 | // fprintf( stderr, "\r%d / %d ", i, nin ); |
---|
1742 | gappick0( mseq2[0], seq[scores[picks[i]].numinseq] ); |
---|
1743 | pickmtx[j][i-j] = ( 1.0 - (double)G__align11_noalign( amino_disLN, -1200, -60, mseq1, mseq2, palloclen ) / MIN( selfscore0, scores[picks[i]].selfscore ) ) * 1; |
---|
1744 | // fprintf( stderr, "scores[picks[i]] = %f\n", scores[picks[i]].score ); |
---|
1745 | } |
---|
1746 | } |
---|
1747 | } |
---|
1748 | else |
---|
1749 | { |
---|
1750 | pickmtx[j][i-j] = ( 1.0 - (double)commonsextet_p( table1, scores[picks[i]].pointt ) / MIN( selfscore0, scores[picks[i]].selfscore ) ) * lenfac; |
---|
1751 | if( pickmtx[j][i-j] > MAX6DIST ) pickmtx[j][i-j] = MAX6DIST; |
---|
1752 | } |
---|
1753 | |
---|
1754 | } |
---|
1755 | if( doalign == 'f' ) free( blastresults ); |
---|
1756 | if( doalign == 0 ) free( table1 ); |
---|
1757 | } |
---|
1758 | |
---|
1759 | dfromcp = AllocateDoubleMtx( npick, nin ); |
---|
1760 | dfromc = AllocateDoubleMtx( npick, 0 ); |
---|
1761 | |
---|
1762 | for( i=0; i<npick; i++ ) for( j=0; j<nin; j++ ) |
---|
1763 | dfromcp[i][j] = -0.5; |
---|
1764 | for( j=0; j<nin; j++ ) |
---|
1765 | { |
---|
1766 | dfromcp[0][j] = ( scores[j].score ); |
---|
1767 | // fprintf( stderr, "j=%d, s_p_map[j]=%d\n", j, s_p_map[j] ); |
---|
1768 | } |
---|
1769 | |
---|
1770 | for( i=0; i<npick; i++ ) for( j=i; j<npick; j++ ) |
---|
1771 | { |
---|
1772 | dfromcp[i][picks[j]] = dfromcp[j][picks[i]] = pickmtx[i][j-i]; |
---|
1773 | } |
---|
1774 | |
---|
1775 | #if 0 |
---|
1776 | fprintf( stderr, "pickmtx = \n" ); |
---|
1777 | for( i=0; i<npick; i++ ) |
---|
1778 | { |
---|
1779 | for( j=i; j<npick; j++ ) |
---|
1780 | { |
---|
1781 | fprintf( stderr, "pickmtx[%d][%d] = %f\n", p_o_map[i]+1, p_o_map[j]+1, pickmtx[i][j-i] ); |
---|
1782 | } |
---|
1783 | } |
---|
1784 | exit( 1 ); |
---|
1785 | #endif |
---|
1786 | |
---|
1787 | |
---|
1788 | |
---|
1789 | // for( i=0; i<npick-1; i++ ) for( j=i; j<npick; j++ ) |
---|
1790 | // fprintf( stderr, "dist[%d][%d] = %f\n", p_o_map[i]+1, p_o_map[j]+1, pickmtx[i][j-i] ); |
---|
1791 | |
---|
1792 | for( i=0; i<npick; i++ ) tsukau[i] = 1; |
---|
1793 | for( i=0; i<nin; i++ ) closeh[i] = -1; |
---|
1794 | for( i=0; i<npick; i++ ) |
---|
1795 | { |
---|
1796 | closeh[picks[i]] = picks[i]; |
---|
1797 | // fprintf( stderr, "i=%d/%d, picks[i]=%d, %d inori, closeh[%d] = %d \n", i, npick, picks[i], p_o_map[i]+1, picks[i], closeh[picks[i]] ); |
---|
1798 | } |
---|
1799 | #if 0 |
---|
1800 | fprintf( stderr, "closeh = \n" ); |
---|
1801 | for( i=0; i<nin; i++ ) |
---|
1802 | { |
---|
1803 | fprintf( stderr, "%d ", closeh[i] ); |
---|
1804 | } |
---|
1805 | fprintf( stderr, "\n" ); |
---|
1806 | #endif |
---|
1807 | #if DIANA |
---|
1808 | for( i=0; i<npick-1; i++ ) for( j=i; j<npick; j++ ) |
---|
1809 | fprintf( stderr, "dist[%d][%d] = %f\n", p_o_map[i]+1, p_o_map[j]+1, pickmtx[i][j-i] ); |
---|
1810 | fprintf( stderr, "DIANA!!\n" ); |
---|
1811 | if( npick > 2 ) |
---|
1812 | { |
---|
1813 | float avdist; |
---|
1814 | float avdist1; |
---|
1815 | float avdist2; |
---|
1816 | float maxavdist; |
---|
1817 | int splinter; |
---|
1818 | int count; |
---|
1819 | int dochokoho; |
---|
1820 | splinter = 0; |
---|
1821 | int *docholist; |
---|
1822 | int *docholistbk; |
---|
1823 | maxavdist = 0.0; |
---|
1824 | for( i=0; i<npick; i++ ) |
---|
1825 | { |
---|
1826 | avdist = 0.0; |
---|
1827 | for( j=i+1; j<npick; j++ ) |
---|
1828 | { |
---|
1829 | avdist += pickmtx[i][j-i]; |
---|
1830 | } |
---|
1831 | for( j=0; j<i; j++ ) |
---|
1832 | { |
---|
1833 | avdist += pickmtx[j][i-j]; |
---|
1834 | } |
---|
1835 | avdist /= (npick-1); |
---|
1836 | fprintf( stderr, "avdist[%d] = %f\n", p_o_map[i] + 1, avdist ); |
---|
1837 | if( maxavdist < avdist ) |
---|
1838 | { |
---|
1839 | maxavdist = avdist; |
---|
1840 | splinter = i; |
---|
1841 | } |
---|
1842 | } |
---|
1843 | fprintf( stderr, "splinter = %d (%d inori), maxavdist = %f\n", splinter, p_o_map[splinter]+1, maxavdist ); |
---|
1844 | |
---|
1845 | docholist = AllocateIntVec( npick ); |
---|
1846 | docholistbk = AllocateIntVec( npick ); |
---|
1847 | for( i=0; i<npick; i++ ) docholist[i] = 0; |
---|
1848 | docholist[splinter] = 1; |
---|
1849 | while( 1 ) |
---|
1850 | { |
---|
1851 | for( i=0; i<npick; i++ ) docholistbk[i] = docholist[i]; |
---|
1852 | for( dochokoho = 0; dochokoho<npick; dochokoho++ ) |
---|
1853 | { |
---|
1854 | fprintf( stderr, "dochokoho=%d\n", dochokoho ); |
---|
1855 | if( docholist[dochokoho] ) continue; |
---|
1856 | count = 0; |
---|
1857 | avdist1 = 0.0; |
---|
1858 | i=dochokoho; |
---|
1859 | { |
---|
1860 | for( j=i+1; j<npick; j++ ) |
---|
1861 | { |
---|
1862 | if( docholist[j] || j == dochokoho ) continue; |
---|
1863 | avdist1 += pickmtx[i][j-i]; |
---|
1864 | count++; |
---|
1865 | } |
---|
1866 | for( j=0; j<i; j++ ) |
---|
1867 | { |
---|
1868 | if( docholist[j] || j == dochokoho ) continue; |
---|
1869 | avdist1 += pickmtx[j][i-j]; |
---|
1870 | count++; |
---|
1871 | } |
---|
1872 | } |
---|
1873 | if( count < 1 ) avdist1 = 0.0; |
---|
1874 | else avdist1 /= (float)count; |
---|
1875 | fprintf( stderr, "docho %d (%dinori), avdist1 = %f\n", dochokoho, p_o_map[dochokoho] + 1, avdist1 ); |
---|
1876 | |
---|
1877 | count = 0; |
---|
1878 | avdist2 = 0.0; |
---|
1879 | i=dochokoho; |
---|
1880 | { |
---|
1881 | for( j=i+1; j<npick; j++ ) |
---|
1882 | { |
---|
1883 | if( !docholist[j] || j == dochokoho ) continue; |
---|
1884 | avdist2 += pickmtx[i][j-i]; |
---|
1885 | count++; |
---|
1886 | } |
---|
1887 | for( j=0; j<i; j++ ) |
---|
1888 | { |
---|
1889 | if( !docholist[j] || j == dochokoho ) continue; |
---|
1890 | avdist2 += pickmtx[j][i-j]; |
---|
1891 | count++; |
---|
1892 | } |
---|
1893 | } |
---|
1894 | if( count < 1 ) avdist2 = 0.0; |
---|
1895 | else avdist2 /= (float)count; |
---|
1896 | fprintf( stderr, "docho %d (%dinori), avdist2 = %f\n", dochokoho, p_o_map[dochokoho] + 1, avdist2 ); |
---|
1897 | |
---|
1898 | if( avdist2 < avdist1 ) |
---|
1899 | { |
---|
1900 | docholist[dochokoho] = 1; |
---|
1901 | hanni[dochokoho] = avdist2; |
---|
1902 | } |
---|
1903 | else |
---|
1904 | { |
---|
1905 | docholist[dochokoho] = 0; |
---|
1906 | hanni[dochokoho] = avdist1; |
---|
1907 | } |
---|
1908 | fprintf( stderr, "avdist1=%f, avdist2=%f\n", avdist1, avdist2 ); |
---|
1909 | |
---|
1910 | } |
---|
1911 | for( i=0; i<npick; i++ ) if( docholist[i] != docholistbk[i] ) break; |
---|
1912 | if( i == npick ) break; |
---|
1913 | |
---|
1914 | fprintf( stderr, "docholist = \n" ); |
---|
1915 | for( i=0; i<npick; i++ ) fprintf( stderr, "%d ", docholist[i] ); |
---|
1916 | fprintf( stderr, "\n" ); |
---|
1917 | } |
---|
1918 | fprintf( stderr, "docholist = \n" ); |
---|
1919 | for( i=0; i<npick; i++ ) fprintf( stderr, "%d ", docholist[i] ); |
---|
1920 | fprintf( stderr, "\n" ); |
---|
1921 | |
---|
1922 | for( i=0; i<npick; i++ ) if( docholist[i] == 0 ) break; |
---|
1923 | yukos[0] = picks[i]; |
---|
1924 | for( i=0; i<npick; i++ ) if( docholist[i] == 1 ) break; |
---|
1925 | yukos[1] = picks[splinter]; |
---|
1926 | |
---|
1927 | for( i=0; i<npick; i++ ) |
---|
1928 | { |
---|
1929 | if( docholist[i] == 0 ) closeh[picks[i]] = yukos[0]; |
---|
1930 | if( docholist[i] == 1 ) closeh[picks[i]] = yukos[1]; |
---|
1931 | } |
---|
1932 | // for( i=0; i<npick; i++ ) closeh[picks[i]] = -1; // CHUUI !! iminai |
---|
1933 | nyuko = 2; |
---|
1934 | free( docholist ); |
---|
1935 | free( docholistbk ); |
---|
1936 | } |
---|
1937 | else if( npick > 1 ) |
---|
1938 | { |
---|
1939 | nyuko = 2; |
---|
1940 | yukos[0] = picks[0]; yukos[1] = picks[1]; |
---|
1941 | closeh[picks[0]] = yukos[0]; |
---|
1942 | closeh[picks[1]] = yukos[1]; |
---|
1943 | } |
---|
1944 | else |
---|
1945 | { |
---|
1946 | nyuko = 1; |
---|
1947 | yukos[0] = picks[0]; |
---|
1948 | closeh[picks[0]] = yukos[0]; |
---|
1949 | } |
---|
1950 | #elif HUKINTOTREE |
---|
1951 | if( npick > 2 ) |
---|
1952 | { |
---|
1953 | #if 0 |
---|
1954 | float avdist; |
---|
1955 | float maxavdist; |
---|
1956 | int count; |
---|
1957 | int splinter; |
---|
1958 | maxavdist = 0.0; |
---|
1959 | splinter=0; |
---|
1960 | for( i=0; i<npick; i++ ) |
---|
1961 | { |
---|
1962 | avdist = 0.0; |
---|
1963 | for( j=i+1; j<npick; j++ ) |
---|
1964 | { |
---|
1965 | avdist += pickmtx[i][j-i]; |
---|
1966 | } |
---|
1967 | for( j=0; j<i; j++ ) |
---|
1968 | { |
---|
1969 | avdist += pickmtx[j][i-j]; |
---|
1970 | } |
---|
1971 | avdist /= (npick-1); |
---|
1972 | fprintf( stderr, "avdist[%d] = %f\n", p_o_map[i] + 1, avdist ); |
---|
1973 | if( maxavdist < avdist ) |
---|
1974 | { |
---|
1975 | maxavdist = avdist; |
---|
1976 | splinter = i; |
---|
1977 | } |
---|
1978 | } |
---|
1979 | fprintf( stderr, "splinter = %d (%d inori), maxavdist = %f\n", splinter, p_o_map[splinter]+1, maxavdist ); |
---|
1980 | #endif |
---|
1981 | |
---|
1982 | |
---|
1983 | // fprintf( stderr, "check kaishi =>, npick=%d members = \n", npick ); |
---|
1984 | // for( i=0; i<npick; i++ ) fprintf( stderr, "%d (%d)", p_o_map[i]+1, picks[i] ); |
---|
1985 | // fprintf( stderr, "\n" ); |
---|
1986 | for( i=0; i<npick-1; i++ ) |
---|
1987 | { |
---|
1988 | if( tsukau[i] == 0 ) continue; |
---|
1989 | for( j=i+1; j<npick; j++ ) |
---|
1990 | { |
---|
1991 | // float kijun = maxdist * 1/(npick-2); |
---|
1992 | // float kijun = maxavdist * tokyoripara; |
---|
1993 | float kijun; |
---|
1994 | kijun = maxdist * tokyoripara; // atode kakunin |
---|
1995 | // fprintf( stderr, "%d-%d\n", i, j ); |
---|
1996 | // fprintf( stderr, "maxdist = %f\n", maxdist ); |
---|
1997 | // if( i==0 && j == 1 ) continue; // machigai!! CHUUI!! |
---|
1998 | // if( maxdist == pickmtx[i][j-i] ) continue; |
---|
1999 | if( tsukau[j] == 0 ) continue; |
---|
2000 | // fprintf( stderr, "checking %d-%d (%d-%d) %f, kijun=%f\n", p_o_map[i]+1, p_o_map[j]+1, i, j, pickmtx[i][j-i], kijun ); |
---|
2001 | if( pickmtx[i][j-i] < kijun ) |
---|
2002 | { |
---|
2003 | // fprintf( stderr, "dame!! %d => %d, because %f < %f\n", p_o_map[j]+1, p_o_map[i]+1, pickmtx[i][j-i], kijun ); |
---|
2004 | #if 0 |
---|
2005 | if( scores[picks[i]].orilen > scores[picks[j]].orilen ) |
---|
2006 | { |
---|
2007 | fprintf( stderr, "%d => %d\n", p_o_map[j]+1, p_o_map[i]+1 ); |
---|
2008 | tsukau[j] = 0; |
---|
2009 | } |
---|
2010 | else |
---|
2011 | { |
---|
2012 | fprintf( stderr, "%d => %d\n", p_o_map[i]+1, p_o_map[j]+1 ); |
---|
2013 | tsukau[i] = 0; |
---|
2014 | } |
---|
2015 | if( 0 && j == npick-1 ) tsukau[i] = 0; |
---|
2016 | else tsukau[j] = 0; |
---|
2017 | fprintf( stderr, "tsukau[%d] = %d (%d inori)\n", j, tsukau[j], p_o_map[j]+1 ); |
---|
2018 | #else |
---|
2019 | tsukau[j] = 0; |
---|
2020 | closeh[picks[j]] = closeh[picks[i]]; |
---|
2021 | // fprintf( stderr, "%d => tsukawanai\n", j ); |
---|
2022 | #endif |
---|
2023 | } |
---|
2024 | } |
---|
2025 | } |
---|
2026 | } |
---|
2027 | for( ii=0,i=0; i<npick; i++ ) |
---|
2028 | { |
---|
2029 | if( tsukau[i] ) |
---|
2030 | { |
---|
2031 | dfromc[ii] = dfromcp[i]; |
---|
2032 | ii++; |
---|
2033 | } |
---|
2034 | else |
---|
2035 | { |
---|
2036 | free( dfromcp[i] ); |
---|
2037 | dfromcp[i] = NULL; |
---|
2038 | } |
---|
2039 | } |
---|
2040 | dfromc[ii] = NULL; |
---|
2041 | |
---|
2042 | for( ii=0,i=0; i<npick; i++ ) |
---|
2043 | { |
---|
2044 | if( tsukau[i] ) |
---|
2045 | { |
---|
2046 | for( jj=ii,j=i; j<npick; j++ ) |
---|
2047 | { |
---|
2048 | if( tsukau[j] ) |
---|
2049 | { |
---|
2050 | pickmtx[ii][jj-ii] = pickmtx[i][j-i]; |
---|
2051 | jj++; |
---|
2052 | } |
---|
2053 | } |
---|
2054 | ii++; |
---|
2055 | } |
---|
2056 | } |
---|
2057 | for( ; ii<npick; ii++ ) |
---|
2058 | { |
---|
2059 | free( pickmtx[ii] ); |
---|
2060 | pickmtx[ii] = NULL; |
---|
2061 | } |
---|
2062 | |
---|
2063 | for( ii=0,i=0; i<npick; i++ ) |
---|
2064 | { |
---|
2065 | if( tsukau[i] ) |
---|
2066 | { |
---|
2067 | yukos[ii++] = picks[i]; |
---|
2068 | } |
---|
2069 | } |
---|
2070 | |
---|
2071 | |
---|
2072 | nyuko = ii; |
---|
2073 | yukomtx = pickmtx; |
---|
2074 | pickmtx = NULL; |
---|
2075 | |
---|
2076 | #endif |
---|
2077 | #if 0 |
---|
2078 | for( i=0; i<npick; i++ ) for( j=i; j<npick; j++ ) |
---|
2079 | { |
---|
2080 | if( tsukau[i] == 1 && tsukau[j] == 1 ) |
---|
2081 | fprintf( stderr, "dist[%d][%d] = %f (ok)\n", p_o_map[i]+1, p_o_map[j]+1, pickmtx[i][j-i] ); |
---|
2082 | else if( tsukau[i] == 0 && tsukau[j] == 0 ) |
---|
2083 | fprintf( stderr, "dist[%d][%d] = %f (xx)\n", p_o_map[i]+1, p_o_map[j]+1, pickmtx[i][j-i] ); |
---|
2084 | else |
---|
2085 | fprintf( stderr, "%d-%d, okashii\n", p_o_map[i]+1, p_o_map[j]+1 ); |
---|
2086 | } |
---|
2087 | #endif |
---|
2088 | // FreeFloatHalfMtx( pickmtx, npick ); |
---|
2089 | |
---|
2090 | |
---|
2091 | for( i=0; i<nin; i++ ) s_y_map[i] = -1; |
---|
2092 | // fprintf( stderr, "npick = %d\n", npick ); |
---|
2093 | // fprintf( stderr, "yukos =" ); |
---|
2094 | for( i=0; i<nyuko; i++ ) |
---|
2095 | { |
---|
2096 | s_y_map[yukos[i]] = i; |
---|
2097 | y_o_map[i] = scores[yukos[i]].numinseq; |
---|
2098 | // fprintf( stderr, " %d\n", yukos[i] ); |
---|
2099 | } |
---|
2100 | // fprintf( stderr, "\n" ); |
---|
2101 | #if 0 |
---|
2102 | for( i=0; i<nyuko; i++ ) |
---|
2103 | { |
---|
2104 | fprintf( stderr, "y_o_map[%d] = %d\n", i, y_o_map[i]+1 ); |
---|
2105 | } |
---|
2106 | for( i=0; i<nyuko; i++ ) for( j=i; j<nyuko; j++ ) |
---|
2107 | { |
---|
2108 | fprintf( stderr, "yukodist[%d][%d] = %f (ok)\n", y_o_map[i]+1, y_o_map[j]+1, yukomtx[i][j-i] ); |
---|
2109 | } |
---|
2110 | #endif |
---|
2111 | |
---|
2112 | for( i=0; i<nin; i++ ) |
---|
2113 | { |
---|
2114 | if( closeh[i] != -1 ) |
---|
2115 | { |
---|
2116 | // fprintf( stderr, "closeh[%d,%dinori] = %d,%dinori\n", i, scores[i].numinseq+1, closeh[i], scores[closeh[i]].numinseq+1 ); |
---|
2117 | } |
---|
2118 | } |
---|
2119 | |
---|
2120 | #if 0 |
---|
2121 | for( i=0; i<nyuko; i++ ) |
---|
2122 | { |
---|
2123 | minscoreinpick[i] = 99.9; |
---|
2124 | for( j=i+1; j<nyuko; j++ ) |
---|
2125 | { |
---|
2126 | if( minscoreinpick[i] > yukomtx[i][j-i] ) |
---|
2127 | minscoreinpick[i] = yukomtx[i][j-i]; |
---|
2128 | } |
---|
2129 | for( j=0; j<i; j++ ) |
---|
2130 | { |
---|
2131 | if( minscoreinpick[i] > yukomtx[j][i-j] ) |
---|
2132 | minscoreinpick[i] = yukomtx[j][i-j]; |
---|
2133 | } |
---|
2134 | fprintf( stderr, "minscoreinpick[%d(%dinori)] = %f\n", i, y_o_map[i]+1, minscoreinpick[i] ); |
---|
2135 | } |
---|
2136 | #endif |
---|
2137 | |
---|
2138 | |
---|
2139 | #if TREE |
---|
2140 | if( treeout ) |
---|
2141 | { |
---|
2142 | children = calloc( nyuko+1, sizeof( char * ) ); |
---|
2143 | for( i=0; i<nyuko+1; i++ ) children[i] = NULL; |
---|
2144 | } |
---|
2145 | #endif |
---|
2146 | // fprintf( stderr, "done..\n" ); |
---|
2147 | |
---|
2148 | // fprintf( stderr, "classifying, nyuko=%d \n", nyuko ); |
---|
2149 | if( nyuko == 1 ) |
---|
2150 | { |
---|
2151 | if( npick != 1 ) |
---|
2152 | { |
---|
2153 | fprintf( stderr, "okashii, nyuko = 1, shikashi npick = %d\n", npick ); |
---|
2154 | exit( 1 ); |
---|
2155 | } |
---|
2156 | // fprintf( stderr, "### itchi suru hazu, nazenara scores[nin-1].score=%f, selfscores=%d,%d\n", scores[nin-1].score, scores[nin-1].selfscore, scores->selfscore ); |
---|
2157 | // fprintf( stderr, "seq[%d] = scores->seq = \n%s\n", scores->numinseq, seq[scores->numinseq] ); |
---|
2158 | |
---|
2159 | uniform = -1; |
---|
2160 | for( j=0; j<nin; j++ ) |
---|
2161 | { |
---|
2162 | belongto = 0; |
---|
2163 | outs[belongto] = realloc( outs[belongto], sizeof( Scores ) * ( numin[belongto] + 1 ) ); |
---|
2164 | outs[belongto][numin[belongto]] = scores[j]; |
---|
2165 | numin[belongto]++; |
---|
2166 | } |
---|
2167 | } |
---|
2168 | else |
---|
2169 | { |
---|
2170 | |
---|
2171 | #if 0 |
---|
2172 | fprintf( stderr, "yukos = \n" ); |
---|
2173 | for( i=0; i<nyuko; i++ ) fprintf( stderr, "%d ", y_o_map[i] + 1 ); |
---|
2174 | fprintf( stderr, "\n" ); |
---|
2175 | #endif |
---|
2176 | fprintf( stderr, "\n\n%dx%d distance matrix\n", nyuko, nin ); |
---|
2177 | |
---|
2178 | for( i=1; i<nyuko; i++ ) |
---|
2179 | { |
---|
2180 | fprintf( stderr, "%d / %d \r", i, nyuko ); |
---|
2181 | |
---|
2182 | if( doalign ) |
---|
2183 | { |
---|
2184 | if( doalign == 'f' ) |
---|
2185 | { |
---|
2186 | blastresults = callfasta( seq, scores, nin, NULL, yukos[i], (i==1) ); |
---|
2187 | } |
---|
2188 | else |
---|
2189 | gappick0( mseq1[0], seq[scores[yukos[i]].numinseq] ); |
---|
2190 | } |
---|
2191 | else |
---|
2192 | { |
---|
2193 | table1 = (short *)calloc( tsize, sizeof( short ) ); |
---|
2194 | if( !table1 ) ErrorExit( "Cannot allocate table1\n" ); |
---|
2195 | makecompositiontable_p( table1, scores[yukos[i]].pointt ); |
---|
2196 | } |
---|
2197 | |
---|
2198 | selfscore0 = scores[yukos[i]].selfscore; |
---|
2199 | for( j=0; j<nin; j++ ) |
---|
2200 | { |
---|
2201 | if( scores[yukos[i]].orilen > scores[j].orilen ) |
---|
2202 | { |
---|
2203 | longer = scores[yukos[i]].orilen; |
---|
2204 | shorter = scores[j].orilen; |
---|
2205 | } |
---|
2206 | else |
---|
2207 | { |
---|
2208 | shorter = scores[yukos[i]].orilen; |
---|
2209 | longer = scores[j].orilen; |
---|
2210 | } |
---|
2211 | |
---|
2212 | #if LENFAC |
---|
2213 | // lenfac = 1.0 / ( (double)LENFACA + (double)LENFACB / ( (double)longer + (double)LENFACC ) + (double)shorter / (double)longer * LENFACD ); |
---|
2214 | lenfac = 1.0 / ( shorter / longer * lenfacd + lenfacb / ( longer + lenfacc ) + lenfaca ); |
---|
2215 | // lenfac = 1.0 / ( shorter / longer * LENFACD + LENFACB / ( longer + LENFACC ) + LENFACA ); |
---|
2216 | // fprintf( stderr, "lenfac = %f, l=%d, %d\n", lenfac, scores[yukos[i]].orilen, scores[j].orilen ); |
---|
2217 | #else |
---|
2218 | lenfac = 1.0; |
---|
2219 | #endif |
---|
2220 | #if 0 // iihazu -> dame |
---|
2221 | ii = s_y_map[j]; jj=s_y_map[yukos[i]]; |
---|
2222 | if( ii != -1 && jj != -1 ) |
---|
2223 | { |
---|
2224 | if( dfromc[ii][yukos[jj]] != -0.5 ) |
---|
2225 | { |
---|
2226 | dfromc[i][j] = dfromc[ii][yukos[jj]]; |
---|
2227 | } |
---|
2228 | else |
---|
2229 | { |
---|
2230 | if( ii > jj ) |
---|
2231 | { |
---|
2232 | kk = jj; |
---|
2233 | jj = ii; |
---|
2234 | ii = kk; |
---|
2235 | } |
---|
2236 | dfromc[ii][yukos[jj]] = |
---|
2237 | dfromc[i][j] = yukomtx[ii][jj-ii]; |
---|
2238 | } |
---|
2239 | } |
---|
2240 | else |
---|
2241 | #else |
---|
2242 | if( dfromc[i][j] == -0.5 ) |
---|
2243 | #endif |
---|
2244 | { |
---|
2245 | if( doalign ) |
---|
2246 | { |
---|
2247 | if( doalign == 'f' ) |
---|
2248 | { |
---|
2249 | dfromc[i][j] = |
---|
2250 | ( 1.0 - blastresults[j] / MIN( selfscore0, scores[j].selfscore ) ) * 1; |
---|
2251 | if( dfromc[i][j] < 0.0 ) dfromc[i][j] = 0.0; |
---|
2252 | } |
---|
2253 | else |
---|
2254 | { |
---|
2255 | if( fromaln ) |
---|
2256 | { |
---|
2257 | dfromc[i][j] = ( 1.0 - (double)naivepairscore11( orialn[scores[j].numinseq], orialn[scores[yukos[i]].numinseq], penalty ) / MIN( selfscore0, scores[j].selfscore ) ) * 1; |
---|
2258 | } |
---|
2259 | else |
---|
2260 | { |
---|
2261 | gappick0( mseq2[0], seq[scores[j].numinseq] ); |
---|
2262 | dfromc[i][j] = ( 1.0 - (double)G__align11_noalign( amino_disLN, -1200, -60, mseq1, mseq2, palloclen ) / MIN( selfscore0, scores[j].selfscore ) ) * 1; |
---|
2263 | } |
---|
2264 | } |
---|
2265 | } |
---|
2266 | else |
---|
2267 | { |
---|
2268 | dfromc[i][j] = ( 1.0 - (double)commonsextet_p( table1, scores[j].pointt ) / MIN( selfscore0, scores[j].selfscore ) ) * lenfac; |
---|
2269 | if( dfromc[i][j] > MAX6DIST ) dfromc[i][j] = MAX6DIST; |
---|
2270 | } |
---|
2271 | } |
---|
2272 | // fprintf( stderr, "i,j=%d,%d (%d,%d)/ %d,%d, dfromc[][]=%f \n", i, j, scores[yukos[i]].numinseq+1, scores[j].numinseq+1, nyuko, nin, dfromc[i][j] ); |
---|
2273 | |
---|
2274 | // if( i == 1 ) |
---|
2275 | // fprintf( stdout, "&&& dfromc[%d][%d] (%d,%d) = %f\n", i, j, p_o_map[i], scores[j].numinseq, dfromc[i][j] ); |
---|
2276 | } |
---|
2277 | // fprintf( stderr, "i=%d, freeing\n", i ); |
---|
2278 | if( !doalign ) free( table1 ); |
---|
2279 | if( doalign && doalign == 'f' ) free( blastresults ); |
---|
2280 | } |
---|
2281 | fprintf( stderr, " \r" ); |
---|
2282 | |
---|
2283 | |
---|
2284 | |
---|
2285 | |
---|
2286 | for( i=0; i<nyuko; i++ ) numin[i] = 0; |
---|
2287 | // fprintf( stderr, "### itchi shinai hazu, nazenara scores[nin-1].score=%f, selfscores=%d,%d, len=%d,%d, nin=%d\n", scores[nin-1].score, scores[nin-1].selfscore, scores->selfscore, scores->orilen, scores[nin-1].orilen, nin ); |
---|
2288 | for( j=0; j<nin; j++ ) |
---|
2289 | { |
---|
2290 | #if 0 |
---|
2291 | belongto = s_y_map[j]; |
---|
2292 | { |
---|
2293 | fprintf( stderr, "belongto = %d (%dinori)\n", belongto, y_o_map[belongto]+1 ); |
---|
2294 | } |
---|
2295 | if( belongto == -1 && closeh[j] != -1 ) |
---|
2296 | #endif |
---|
2297 | #if 0 |
---|
2298 | if( closeh[j] != -1 ) |
---|
2299 | { |
---|
2300 | belongto = s_y_map[closeh[j]]; |
---|
2301 | // if( belongto != -1 ) |
---|
2302 | // fprintf( stderr, "known, %d(%dinori)->%d(%dinori)\n", j, scores[j].numinseq+1, belongto, y_o_map[belongto]+1 ); |
---|
2303 | } |
---|
2304 | else |
---|
2305 | // if( belongto == -1 ) |
---|
2306 | #else |
---|
2307 | belongto = s_y_map[j]; |
---|
2308 | if( belongto == -1 ) |
---|
2309 | #endif |
---|
2310 | { |
---|
2311 | belongto = 0; // default ha horyu |
---|
2312 | minscore = dfromc[0][j]; |
---|
2313 | for( i=0; i<nyuko; i++ ) |
---|
2314 | { |
---|
2315 | // fprintf( stderr, "checking %d/%d,%d/%d (%d-%d inori) minscore=%f, dfromc[0][j]=%f, dfromc[i][j]=%f\n", i, nyuko, j, nin, y_o_map[i], scores[j].numinseq, minscore, dfromc[0][j], dfromc[i][j] ); |
---|
2316 | if( scores[j].shimon == scores[yukos[i]].shimon && !strcmp( seq[scores[j].numinseq], seq[y_o_map[i]] ) ) |
---|
2317 | { |
---|
2318 | // fprintf( stderr, "yuko-%d (%d in ori) to score-%d (%d inori) ha kanzen itch\n", i, y_o_map[i], j, scores[j].numinseq ); |
---|
2319 | belongto = i; |
---|
2320 | break; |
---|
2321 | } |
---|
2322 | if( dfromc[i][j] < minscore ) |
---|
2323 | // if( dfromc[i][j] < minscore && minscore-dfromc[i][j] > ( minscoreinpick[yukos[i]] + minscoreinpick[j] ) * 1.0 ) |
---|
2324 | // if( rnd() < 0.5 ) // CHUUI !!!!! |
---|
2325 | { |
---|
2326 | // fprintf( stderr, "yuko-%d (%d in ori) to score-%d (%d inori) ha tikai, %f>%f\n", i, y_o_map[i]+1, j, scores[j].numinseq+1, minscore, dfromc[i][j] ); |
---|
2327 | minscore = dfromc[i][j]; |
---|
2328 | belongto = i; |
---|
2329 | } |
---|
2330 | } |
---|
2331 | } |
---|
2332 | #if 0 |
---|
2333 | if( dfromc[belongto][j] > minscoreinpick[belongto] ) |
---|
2334 | { |
---|
2335 | fprintf( stderr, "dame, %f > %f\n", dfromc[belongto][j], minscoreinpick[belongto] ); |
---|
2336 | belongto = npick; |
---|
2337 | } |
---|
2338 | else |
---|
2339 | fprintf( stderr, "ok, %f < %f\n", dfromc[belongto][j], minscoreinpick[belongto] ); |
---|
2340 | #endif |
---|
2341 | // fprintf( stderr, "j=%d (%d inori) -> %d (%d inori) d=%f\n", j, scores[j].numinseq+1, belongto, y_o_map[belongto]+1, dfromc[belongto][j] ); |
---|
2342 | // fprintf( stderr, "numin = %d\n", numin[belongto] ); |
---|
2343 | outs[belongto] = realloc( outs[belongto], sizeof( Scores ) * ( numin[belongto] + 1 ) ); |
---|
2344 | outs[belongto][numin[belongto]] = scores[j]; |
---|
2345 | numin[belongto]++; |
---|
2346 | |
---|
2347 | } |
---|
2348 | free( dfromcp ); |
---|
2349 | FreeDoubleMtx( dfromc ); |
---|
2350 | |
---|
2351 | // fprintf( stderr, "##### npick = %d\n", npick ); |
---|
2352 | // fprintf( stderr, "##### nyuko = %d\n", nyuko ); |
---|
2353 | |
---|
2354 | |
---|
2355 | if( nyuko > 2 ) |
---|
2356 | { |
---|
2357 | fprintf( stderr, "upgma " ); |
---|
2358 | // veryfastsupg_float_realloc_nobk_halfmtx( nyuko, yukomtx, topol, len ); |
---|
2359 | fixed_musclesupg_float_realloc_nobk_halfmtx( nyuko, yukomtx, topol, len, NULL, 1 ); |
---|
2360 | fprintf( stderr, "\r \r" ); |
---|
2361 | } |
---|
2362 | else |
---|
2363 | { |
---|
2364 | topol[0][0] = (int *)realloc( topol[0][0], 2 * sizeof( int ) ); |
---|
2365 | topol[0][1] = (int *)realloc( topol[0][1], 2 * sizeof( int ) ); |
---|
2366 | topol[0][0][0] = 0; |
---|
2367 | topol[0][0][1] = -1; |
---|
2368 | topol[0][1][0] = 1; |
---|
2369 | topol[0][1][1] = -1; |
---|
2370 | } |
---|
2371 | FreeFloatHalfMtx( yukomtx, npick ); |
---|
2372 | |
---|
2373 | #if 0 |
---|
2374 | ii = nyuko-1; |
---|
2375 | fprintf( stderr, "nyuko = %d, topol[][] = \n", nyuko ); |
---|
2376 | for( j=0; j<nyuko-1; j++ ) |
---|
2377 | { |
---|
2378 | fprintf( stderr, "STEP%d \n", j ); |
---|
2379 | for( i=0; ; i++ ) |
---|
2380 | { |
---|
2381 | fprintf( stderr, "%d ", ( topol[j][0][i] )+0 ); |
---|
2382 | if( topol[j][0][i] == -1 ) break; |
---|
2383 | } |
---|
2384 | fprintf( stderr, "\n" ); |
---|
2385 | for( i=0; ; i++ ) |
---|
2386 | { |
---|
2387 | fprintf( stderr, "%d ", ( topol[j][1][i] )+0 ); |
---|
2388 | if( topol[j][1][i] == -1 ) break; |
---|
2389 | } |
---|
2390 | fprintf( stderr, "\n" ); |
---|
2391 | fprintf( stderr, "\n" ); |
---|
2392 | } |
---|
2393 | exit( 1 ); |
---|
2394 | #endif |
---|
2395 | jptr = treeorder; |
---|
2396 | iptr = topol[nyuko-2][0]; while( *iptr != -1 ) *jptr++ = *iptr++; |
---|
2397 | iptr = topol[nyuko-2][1]; while( *iptr != -1 ) *jptr++ = *iptr++; |
---|
2398 | *jptr++ = -1; |
---|
2399 | for( j=0; j<nyuko; j++ ) |
---|
2400 | { |
---|
2401 | // fprintf( stderr, "treeorder[%d] = %d\n", j, treeorder[j] ); |
---|
2402 | if( treeorder[j] == -1 ) break; |
---|
2403 | } |
---|
2404 | } |
---|
2405 | |
---|
2406 | aligned = 1; |
---|
2407 | for( i=0; i<nyuko; i++ ) |
---|
2408 | { |
---|
2409 | ii = treeorder[i]; |
---|
2410 | #if 0 |
---|
2411 | if( numin[ii] > 1 ) |
---|
2412 | { |
---|
2413 | fprintf( stderr, "\ncalling a child, pick%d (%d inori): # of mem=%d\n", i, p_o_map[ii]+1, numin[ii] ); |
---|
2414 | for( j=0; j<numin[ii]; j++ ) |
---|
2415 | { |
---|
2416 | fprintf( stderr, "%d ", outs[ii][j].numinseq+1 ); |
---|
2417 | } |
---|
2418 | fprintf( stderr, "\n" ); |
---|
2419 | } |
---|
2420 | #endif |
---|
2421 | aligned *= splitseq_mq( outs[ii], numin[ii], nlen, seq, orialn, name, inputfile, uniform, children+ii, alloclen, order, whichgroup, weight, depthpt, scores->numinseq ); |
---|
2422 | } |
---|
2423 | |
---|
2424 | |
---|
2425 | for( i=0; i<nyuko; i++ ) |
---|
2426 | { |
---|
2427 | if( !numin[i] ) |
---|
2428 | { |
---|
2429 | fprintf( stderr, "i=%d/%d, ERROR!\n", i, nyuko ); |
---|
2430 | for( j=0; j<nyuko; j++ ) |
---|
2431 | fprintf( stderr, "numin[%d] = %d (rep=%d inori)\n", j, numin[j], y_o_map[j] ); |
---|
2432 | exit( 1 ); |
---|
2433 | } |
---|
2434 | } |
---|
2435 | |
---|
2436 | #if TREE |
---|
2437 | if( treeout ) |
---|
2438 | { |
---|
2439 | treelen = 0; |
---|
2440 | for( i=0; i<nyuko; i++ ) |
---|
2441 | treelen += strlen( children[i] ); |
---|
2442 | *tree = calloc( treelen + nin * 3, sizeof ( char ) ); |
---|
2443 | } |
---|
2444 | #endif |
---|
2445 | |
---|
2446 | |
---|
2447 | if( nin >= classsize || !aligned ) |
---|
2448 | val = 0; |
---|
2449 | else |
---|
2450 | val = 1; |
---|
2451 | |
---|
2452 | if( nyuko > 1 ) |
---|
2453 | { |
---|
2454 | int *mem1p, *mem2p; |
---|
2455 | int mem1size, mem2size; |
---|
2456 | int v1 = 0, v2 = 0, v3 = 0; |
---|
2457 | int nlim; |
---|
2458 | int l; |
---|
2459 | static int *mem1 = NULL; |
---|
2460 | static int *mem2 = NULL; |
---|
2461 | char **parttree = NULL; // by Mathog |
---|
2462 | |
---|
2463 | #if TREE |
---|
2464 | if( treeout ) |
---|
2465 | { |
---|
2466 | parttree = (char **)calloc( nyuko, sizeof( char * ) ); |
---|
2467 | for( i=0; i<nyuko; i++ ) |
---|
2468 | { |
---|
2469 | // fprintf( stderr, "allocating parttree, size = %d\n", treelen + nin * 5 ); |
---|
2470 | parttree[i] = calloc( treelen + nin * 5, sizeof ( char ) ); |
---|
2471 | strcpy( parttree[i], children[i] ); |
---|
2472 | free( children[i] ); |
---|
2473 | } |
---|
2474 | free( children ); |
---|
2475 | } |
---|
2476 | #endif |
---|
2477 | if( mem1 == NULL ) |
---|
2478 | { |
---|
2479 | mem1 = AllocateIntVec( njob+1 ); |
---|
2480 | mem2 = AllocateIntVec( njob+1 ); |
---|
2481 | } |
---|
2482 | |
---|
2483 | // veryfastsupg_float_realloc_nobk_halfmtx( nyuko, yukomtx, topol, len ); |
---|
2484 | |
---|
2485 | // counteff_simple_float( nyuko, topol, len, eff ); |
---|
2486 | |
---|
2487 | |
---|
2488 | nlim = nyuko-1; |
---|
2489 | for( l=0; l<nlim; l++ ) |
---|
2490 | { |
---|
2491 | mem1p = topol[l][0]; |
---|
2492 | mptr = mem1; |
---|
2493 | mem1size = 0; |
---|
2494 | while( *mem1p != -1 ) |
---|
2495 | { |
---|
2496 | // fprintf( stderr, "*mem1p = %d (%d inori), numin[]=%d\n", *mem1p, p_o_map[*mem1p], numin[*mem1p] ); |
---|
2497 | i = numin[*mem1p]; ptr = outs[*(mem1p++)]; |
---|
2498 | mem1size += i; |
---|
2499 | while( i-- ) |
---|
2500 | { |
---|
2501 | *mptr++ = (ptr++)->numinseq; |
---|
2502 | } |
---|
2503 | } |
---|
2504 | *mptr = -1; |
---|
2505 | |
---|
2506 | mem2p = topol[l][1]; |
---|
2507 | mptr = mem2; |
---|
2508 | mem2size = 0; |
---|
2509 | while( *mem2p != -1 ) |
---|
2510 | { |
---|
2511 | // fprintf( stderr, "*mem2p = %d (%d inori), numin[]=%d\n", *mem2p, p_o_map[*mem2p], numin[*mem2p] ); |
---|
2512 | i = numin[*mem2p]; ptr = outs[*(mem2p++)]; |
---|
2513 | mem2size += i; |
---|
2514 | while( i-- ) |
---|
2515 | { |
---|
2516 | *mptr++ = (ptr++)->numinseq; |
---|
2517 | } |
---|
2518 | } |
---|
2519 | *mptr = -1; |
---|
2520 | |
---|
2521 | qsort( mem1, mem1size, sizeof( int ), (int (*)())intcompare ); |
---|
2522 | qsort( mem2, mem2size, sizeof( int ), (int (*)())intcompare ); |
---|
2523 | // selhead( mem1, numin[0] ); |
---|
2524 | // selhead( mem2, numin[1] ); |
---|
2525 | |
---|
2526 | |
---|
2527 | #if 0 |
---|
2528 | fprintf( stderr, "\n" ); |
---|
2529 | fprintf( stderr, "mem1 (nin=%d) = \n", nin ); |
---|
2530 | for( i=0; ; i++ ) |
---|
2531 | { |
---|
2532 | fprintf( stderr, "%d ", mem1[i]+1 ); |
---|
2533 | if( mem1[i] == -1 ) break; |
---|
2534 | } |
---|
2535 | fprintf( stderr, "\n" ); |
---|
2536 | fprintf( stderr, "mem2 (nin=%d) = \n", nin ); |
---|
2537 | for( i=0; ; i++ ) |
---|
2538 | { |
---|
2539 | fprintf( stderr, "%d ", mem2[i]+1 ); |
---|
2540 | if( mem2[i] == -1 ) break; |
---|
2541 | } |
---|
2542 | fprintf( stderr, "\n" ); |
---|
2543 | #endif |
---|
2544 | |
---|
2545 | #if 0 |
---|
2546 | fprintf( stderr, "before pairalign, l = %d, nyuko=%d, mem1size=%d, mem2size=%d\n", l, nyuko, mem1size, mem2size ); |
---|
2547 | fprintf( stderr, "before alignment\n" ); |
---|
2548 | for( j=0; j<mem1size; j++ ) |
---|
2549 | fprintf( stderr, "%s\n", seq[mem1[j]] ); |
---|
2550 | fprintf( stderr, "----\n" ); |
---|
2551 | for( j=0; j<mem2size; j++ ) |
---|
2552 | fprintf( stderr, "%s\n", seq[mem2[j]] ); |
---|
2553 | fprintf( stderr, "----\n\n" ); |
---|
2554 | #endif |
---|
2555 | |
---|
2556 | if( val ) |
---|
2557 | { |
---|
2558 | fprintf( stderr, "\r Alignment %d-%d \r", mem1size, mem2size ); |
---|
2559 | if( *mem1 < *mem2 ) |
---|
2560 | pairalign( njob, nlen, seq, mem1, mem2, weight, alloclen ); |
---|
2561 | else |
---|
2562 | pairalign( njob, nlen, seq, mem2, mem1, weight, alloclen ); |
---|
2563 | } |
---|
2564 | |
---|
2565 | #if TREE |
---|
2566 | if( treeout ) |
---|
2567 | { |
---|
2568 | v1 = topol[l][0][0]; |
---|
2569 | v2 = topol[l][1][0]; |
---|
2570 | |
---|
2571 | // fprintf( stderr, "nyuko=%d, v1=%d, v2=%d\n", nyuko, v1, v2 ); |
---|
2572 | if( v1 > v2 ) |
---|
2573 | { |
---|
2574 | v3 = v1; |
---|
2575 | v1 = v2; |
---|
2576 | v2 = v3; |
---|
2577 | } |
---|
2578 | // fprintf( stderr, "nyuko=%d, v1=%d, v2=%d after sort\n", nyuko, v1, v2 ); |
---|
2579 | // fprintf( stderr, "nyuko=%d, v1=%d, v2=%d\n", nyuko, v1, v2 ); |
---|
2580 | // fprintf( stderr, "v1=%d, v2=%d, parttree[v1]=%s, parttree[v2]=%s\n", v1, v2, parttree[v1], parttree[v2] ); |
---|
2581 | sprintf( *tree, "(%s,%s)", parttree[v1], parttree[v2] ); |
---|
2582 | strcpy( parttree[v1], *tree ); |
---|
2583 | // fprintf( stderr, "parttree[%d] = %s\n", v1, parttree[v1] ); |
---|
2584 | // fprintf( stderr, "*tree = %s\n", *tree ); |
---|
2585 | free( parttree[v2] ); parttree[v2] = NULL; |
---|
2586 | } |
---|
2587 | #endif |
---|
2588 | |
---|
2589 | #if 0 |
---|
2590 | fprintf( stderr, "after alignment\n" ); |
---|
2591 | for( j=0; j<mem1size; j++ ) |
---|
2592 | fprintf( stderr, "%s\n", seq[mem1[j]] ); |
---|
2593 | fprintf( stderr, "----\n" ); |
---|
2594 | for( j=0; j<mem2size; j++ ) |
---|
2595 | fprintf( stderr, "%s\n", seq[mem2[j]] ); |
---|
2596 | fprintf( stderr, "----\n\n" ); |
---|
2597 | #endif |
---|
2598 | } |
---|
2599 | #if TREE |
---|
2600 | if( treeout ) |
---|
2601 | { |
---|
2602 | free( parttree[v1] ); parttree[v1] = NULL; |
---|
2603 | // fprintf( stderr, "*tree = %s\n", *tree ); |
---|
2604 | // FreeCharMtx( parttree ); |
---|
2605 | free( parttree ); parttree = NULL; |
---|
2606 | } |
---|
2607 | #endif |
---|
2608 | |
---|
2609 | #if 0 |
---|
2610 | fprintf( stderr, "after alignment\n" ); |
---|
2611 | for( i=0; i<nyuko; i++ ) |
---|
2612 | { |
---|
2613 | for( j=0; j<numin[i]; j++ ) |
---|
2614 | fprintf( stderr, "%s\n", seq[outs[i][j].numinseq] ); |
---|
2615 | } |
---|
2616 | #endif |
---|
2617 | |
---|
2618 | if( val ) |
---|
2619 | { |
---|
2620 | groupid++; |
---|
2621 | mptr = mem1; while( *mptr != -1 ) |
---|
2622 | { |
---|
2623 | #if 0 |
---|
2624 | fprintf( stdout, "==g1-%d \n", *mptr+1 ); |
---|
2625 | fprintf( stdout, "%s \n", seq[*mptr] ); |
---|
2626 | #endif |
---|
2627 | whichgroup[*mptr] = groupid; |
---|
2628 | weight[*mptr++] *= 0.5; |
---|
2629 | } |
---|
2630 | |
---|
2631 | mptr = mem2; while( *mptr != -1 ) |
---|
2632 | { |
---|
2633 | #if 0 |
---|
2634 | fprintf( stdout, "=g2-%d ", *mptr+1 ); |
---|
2635 | fprintf( stdout, "%s \n", seq[*mptr] ); |
---|
2636 | #endif |
---|
2637 | whichgroup[*mptr] = groupid; |
---|
2638 | weight[*mptr++] *= 0.5; |
---|
2639 | } |
---|
2640 | |
---|
2641 | if( numin[1] == 0 ) |
---|
2642 | { |
---|
2643 | mptr = mem1; while( *mptr != -1 ) |
---|
2644 | { |
---|
2645 | whichgroup[*mptr] = groupid; |
---|
2646 | weight[*mptr++] *= (double)2.0/numin[0]; |
---|
2647 | } |
---|
2648 | } |
---|
2649 | } |
---|
2650 | { |
---|
2651 | if( *depthpt > maxdepth ) maxdepth = *depthpt; |
---|
2652 | (*depthpt)++; |
---|
2653 | } |
---|
2654 | } |
---|
2655 | else |
---|
2656 | { |
---|
2657 | #if TREE |
---|
2658 | if( treeout ) |
---|
2659 | { |
---|
2660 | sprintf( *tree, "%s", children[0] ); |
---|
2661 | free( children[0] ); |
---|
2662 | free( children ); |
---|
2663 | } |
---|
2664 | #endif |
---|
2665 | } |
---|
2666 | for( i=0; i<npick; i++ ) free( (void *)outs[i] ); |
---|
2667 | // FreeFloatHalfMtx( pickmtx, npick ); |
---|
2668 | // FreeFloatHalfMtx( yukomtx, npick ); |
---|
2669 | FreeFloatMtx( len ); |
---|
2670 | FreeIntCub( topol ); |
---|
2671 | FreeIntVec( treeorder ); |
---|
2672 | free( outs ); |
---|
2673 | free( numin ); |
---|
2674 | free( picks ); |
---|
2675 | free( yukos ); |
---|
2676 | free( s_p_map ); |
---|
2677 | free( s_y_map ); |
---|
2678 | free( p_o_map ); |
---|
2679 | free( y_o_map ); |
---|
2680 | free( hanni ); |
---|
2681 | free( closeh ); |
---|
2682 | free( pickkouho ); |
---|
2683 | free( tsukau ); |
---|
2684 | // free( minscoreinpick ); |
---|
2685 | return val; |
---|
2686 | } |
---|
2687 | #endif |
---|
2688 | |
---|
2689 | static void alignparaphiles( int nseq, int *nlen, double *weight, char **seq, int nmem, int *members, int *alloclen ) |
---|
2690 | { |
---|
2691 | int i, ilim; |
---|
2692 | int *mem1 = AllocateIntVec( nmem ); |
---|
2693 | int *mem2 = AllocateIntVec( 2 ); |
---|
2694 | |
---|
2695 | mem2[1] = -1; |
---|
2696 | ilim = nmem-1; |
---|
2697 | for( i=0; i<ilim; i++ ) |
---|
2698 | { |
---|
2699 | mem1[i] = members[i]; |
---|
2700 | mem1[i+1] = -1; |
---|
2701 | mem2[0] = members[i+1]; |
---|
2702 | pairalign( nseq, nlen, seq, mem1, mem2, weight, alloclen ); |
---|
2703 | } |
---|
2704 | free( mem1 ); |
---|
2705 | free( mem2 ); |
---|
2706 | } |
---|
2707 | |
---|
2708 | |
---|
2709 | |
---|
2710 | |
---|
2711 | |
---|
2712 | |
---|
2713 | |
---|
2714 | |
---|
2715 | |
---|
2716 | |
---|
2717 | |
---|
2718 | int main( int argc, char *argv[] ) |
---|
2719 | { |
---|
2720 | static char **name, **seq, **orialn; |
---|
2721 | static int *grpseq; |
---|
2722 | static char *tmpseq; |
---|
2723 | static int **pointt; |
---|
2724 | static int *nlen; |
---|
2725 | int i, st, en; |
---|
2726 | FILE *infp; |
---|
2727 | FILE *treefp; |
---|
2728 | char *treefile = NULL; //by Mathog |
---|
2729 | char c; |
---|
2730 | int alloclen; |
---|
2731 | static int *order; |
---|
2732 | static int *whichgroup; |
---|
2733 | static double *weight; |
---|
2734 | static char tmpname[B+100]; |
---|
2735 | int groupnum; |
---|
2736 | int groupid; |
---|
2737 | int pos; |
---|
2738 | int *paramem; |
---|
2739 | int npara; |
---|
2740 | int completed; |
---|
2741 | int orilen; |
---|
2742 | int pscore; |
---|
2743 | char *pt; |
---|
2744 | int **tmpaminodis; |
---|
2745 | static char com[1000]; |
---|
2746 | int depth; |
---|
2747 | int aan; |
---|
2748 | |
---|
2749 | static Scores *scores; |
---|
2750 | static short *table1; |
---|
2751 | static char **tree; |
---|
2752 | |
---|
2753 | |
---|
2754 | |
---|
2755 | arguments( argc, argv ); |
---|
2756 | |
---|
2757 | if( inputfile ) |
---|
2758 | { |
---|
2759 | infp = fopen( inputfile, "r" ); |
---|
2760 | if( !infp ) |
---|
2761 | { |
---|
2762 | fprintf( stderr, "Cannot open %s\n", inputfile ); |
---|
2763 | exit( 1 ); |
---|
2764 | } |
---|
2765 | } |
---|
2766 | else |
---|
2767 | infp = stdin; |
---|
2768 | |
---|
2769 | getnumlen( infp ); |
---|
2770 | rewind( infp ); |
---|
2771 | |
---|
2772 | if( njob < 2 ) |
---|
2773 | { |
---|
2774 | fprintf( stderr, "At least 2 sequences should be input!\n" |
---|
2775 | "Only %d sequence found.\n", njob ); |
---|
2776 | exit( 1 ); |
---|
2777 | } |
---|
2778 | |
---|
2779 | |
---|
2780 | if( picksize == NOTSPECIFIED || picksize < 2 ) |
---|
2781 | picksize = PICKSIZE; |
---|
2782 | |
---|
2783 | if( classsize == NOTSPECIFIED || classsize < 0 ) |
---|
2784 | { |
---|
2785 | classsize = njob + 1; |
---|
2786 | } |
---|
2787 | else |
---|
2788 | { |
---|
2789 | // picksize = MIN( picksize, (int)sqrt( classsize ) + 1); |
---|
2790 | } |
---|
2791 | |
---|
2792 | if( tokyoripara == NOTSPECIFIED ) |
---|
2793 | { |
---|
2794 | if( doalign ) tokyoripara = TOKYORIPARA_A; |
---|
2795 | else tokyoripara = TOKYORIPARA; |
---|
2796 | } |
---|
2797 | if( picksize > njob ) |
---|
2798 | tokyoripara = 0.0; |
---|
2799 | |
---|
2800 | |
---|
2801 | alloclen = nlenmax * 2; |
---|
2802 | name = AllocateCharMtx( njob, B+1 ); |
---|
2803 | |
---|
2804 | if( classsize == 1 ) |
---|
2805 | seq = AllocateCharMtx( njob, 0 ); |
---|
2806 | else |
---|
2807 | seq = AllocateCharMtx( njob, alloclen+1 ); |
---|
2808 | |
---|
2809 | |
---|
2810 | nlen = AllocateIntVec( njob ); |
---|
2811 | tmpseq = calloc( nlenmax+1, sizeof( char ) ); |
---|
2812 | pointt = AllocateIntMtx( njob, 0 ); |
---|
2813 | grpseq = AllocateIntVec( nlenmax + 1 ); |
---|
2814 | order = (int *)calloc( njob + 1, sizeof( int ) ); |
---|
2815 | whichgroup = (int *)calloc( njob, sizeof( int ) ); |
---|
2816 | weight = (double *)calloc( njob, sizeof( double ) ); |
---|
2817 | |
---|
2818 | fprintf( stderr, "alloclen = %d in main\n", alloclen ); |
---|
2819 | |
---|
2820 | for( i=0; i<njob; i++ ) whichgroup[i] = 0; |
---|
2821 | for( i=0; i<njob; i++ ) weight[i] = 1.0; |
---|
2822 | for( i=0; i<njob; i++ ) order[i] = -1; |
---|
2823 | |
---|
2824 | if( classsize == 1 ) |
---|
2825 | readData_varlen( infp, name, nlen, seq ); |
---|
2826 | else |
---|
2827 | readData_pointer( infp, name, nlen, seq ); |
---|
2828 | |
---|
2829 | fclose( infp ); |
---|
2830 | |
---|
2831 | if( fromaln ) doalign = 1; |
---|
2832 | |
---|
2833 | if( fromaln ) |
---|
2834 | { |
---|
2835 | orialn = AllocateCharMtx( njob, alloclen+1 ); |
---|
2836 | for( i=0; i<njob; i++ ) |
---|
2837 | { |
---|
2838 | if( strlen( seq[i] ) != nlenmax ) |
---|
2839 | { |
---|
2840 | fprintf( stderr, "Input sequences must be aligned\n" ); |
---|
2841 | exit( 1 ); |
---|
2842 | } |
---|
2843 | strcpy( orialn[i], seq[i] ); |
---|
2844 | } |
---|
2845 | } |
---|
2846 | |
---|
2847 | constants( njob, seq ); |
---|
2848 | |
---|
2849 | if( dorp == 'd' ) tsize = (int)pow( 4, 6 ); |
---|
2850 | else tsize = (int)pow( 6, 6 ); |
---|
2851 | |
---|
2852 | if( dorp == 'd' ) |
---|
2853 | { |
---|
2854 | lenfaca = DLENFACA; |
---|
2855 | lenfacb = DLENFACB; |
---|
2856 | lenfacc = DLENFACC; |
---|
2857 | lenfacd = DLENFACD; |
---|
2858 | } |
---|
2859 | else |
---|
2860 | { |
---|
2861 | lenfaca = PLENFACA; |
---|
2862 | lenfacb = PLENFACB; |
---|
2863 | lenfacc = PLENFACC; |
---|
2864 | lenfacd = PLENFACD; |
---|
2865 | } |
---|
2866 | |
---|
2867 | maxl = 0; |
---|
2868 | for( i=0; i<njob; i++ ) |
---|
2869 | { |
---|
2870 | gappick0( tmpseq, seq[i] ); |
---|
2871 | nlen[i] = strlen( tmpseq ); |
---|
2872 | strcpy( seq[i], tmpseq ); |
---|
2873 | pointt[i] = AllocateIntVec( nlen[i]+1 ); // ?? |
---|
2874 | |
---|
2875 | if( nlen[i] < 6 ) |
---|
2876 | { |
---|
2877 | fprintf( stderr, "Seq %d, too short, %d characters\n", i+1, nlen[i] ); |
---|
2878 | fprintf( stderr, "name = %s\n", name[i] ); |
---|
2879 | fprintf( stderr, "seq = %s\n", seq[i] ); |
---|
2880 | exit( 1 ); |
---|
2881 | // continue; |
---|
2882 | } |
---|
2883 | if( nlen[i] > maxl ) maxl = nlen[i]; |
---|
2884 | if( dorp == 'd' ) /* nuc */ |
---|
2885 | { |
---|
2886 | if( seq_grp_nuc( grpseq, tmpseq ) < 6 ) |
---|
2887 | { |
---|
2888 | fprintf( stderr, "Seq %d, too short.\n", i+1 ); |
---|
2889 | fprintf( stderr, "name = %s\n", name[i] ); |
---|
2890 | fprintf( stderr, "seq = %s\n", seq[i] ); |
---|
2891 | exit( 1 ); |
---|
2892 | // continue; |
---|
2893 | } |
---|
2894 | makepointtable_nuc( pointt[i], grpseq ); |
---|
2895 | } |
---|
2896 | else /* amino */ |
---|
2897 | { |
---|
2898 | if( seq_grp( grpseq, tmpseq ) < 6 ) |
---|
2899 | { |
---|
2900 | fprintf( stderr, "Seq %d, too short.\n", i+1 ); |
---|
2901 | fprintf( stderr, "name = %s\n", name[i] ); |
---|
2902 | fprintf( stderr, "seq = %s\n", seq[i] ); |
---|
2903 | exit( 1 ); |
---|
2904 | // continue; |
---|
2905 | } |
---|
2906 | makepointtable( pointt[i], grpseq ); |
---|
2907 | } |
---|
2908 | // fprintf( stdout, ">%s\n", name[i] ); |
---|
2909 | // fprintf( stdout, "%s\n", seq[i] ); |
---|
2910 | } |
---|
2911 | if( nunknown ) fprintf( stderr, "\nWARNING : %d unknown characters\n", nunknown ); |
---|
2912 | // exit( 1 ); |
---|
2913 | |
---|
2914 | #if 0 |
---|
2915 | fprintf( stderr, "params = %d, %d, %d\n", penalty, penalty_ex, offset ); |
---|
2916 | #endif |
---|
2917 | |
---|
2918 | initSignalSM(); |
---|
2919 | |
---|
2920 | initFiles(); |
---|
2921 | |
---|
2922 | WriteOptions( trap_g ); |
---|
2923 | |
---|
2924 | c = seqcheck( seq ); |
---|
2925 | if( c ) |
---|
2926 | { |
---|
2927 | fprintf( stderr, "Illeagal character %c\n", c ); |
---|
2928 | exit( 1 ); |
---|
2929 | } |
---|
2930 | |
---|
2931 | pid = (int)getpid(); |
---|
2932 | sprintf( datafile, "/tmp/data-%d", pid ); |
---|
2933 | sprintf( queryfile, "/tmp/query-%d", pid ); |
---|
2934 | sprintf( resultfile, "/tmp/fasta-%d", pid ); |
---|
2935 | |
---|
2936 | scores = (Scores *)calloc( njob, sizeof( Scores ) ); |
---|
2937 | |
---|
2938 | // fprintf( stderr, "\nCalculating i-i scores ... \n" ); |
---|
2939 | for( i=0; i<njob; i++ ) |
---|
2940 | { |
---|
2941 | orilen = strlen( seq[i] ); |
---|
2942 | scores[i].numinseq = i; // irimasu |
---|
2943 | scores[i].orilen = orilen; |
---|
2944 | } |
---|
2945 | |
---|
2946 | if( doalign == 'f' ) |
---|
2947 | { |
---|
2948 | fastapath = getenv( "FASTA_4_MAFFT" ); |
---|
2949 | if( !fastapath ) fastapath = "fasta34"; |
---|
2950 | fprintf( stderr, "fastapath=%s\n", fastapath ); |
---|
2951 | tmpaminodis = AllocateIntMtx( 0x80, 0x80 ); |
---|
2952 | getfastascoremtx( tmpaminodis ); |
---|
2953 | } |
---|
2954 | else |
---|
2955 | tmpaminodis = NULL; |
---|
2956 | |
---|
2957 | for( i=0; i<njob; i++ ) |
---|
2958 | { |
---|
2959 | scores[i].pointt = pointt[i]; |
---|
2960 | scores[i].shimon = (int)pointt[i][0] + (int)pointt[i][1] + (int)pointt[i][scores[i].orilen-6]; |
---|
2961 | scores[i].name = name[i]; |
---|
2962 | if( doalign ) |
---|
2963 | { |
---|
2964 | fprintf( stderr, "\r %05d/%05d ", i, njob ); |
---|
2965 | free( scores[i].pointt ); |
---|
2966 | if( doalign == 'f' ) |
---|
2967 | { |
---|
2968 | #if 0 |
---|
2969 | #define KIZAMI 100 |
---|
2970 | int ipos = (int)( i / KIZAMI ) * KIZAMI; |
---|
2971 | int iposamari = i % KIZAMI; |
---|
2972 | |
---|
2973 | fprintf( stderr, "%d / %d\r", i, njob ); |
---|
2974 | // fprintf( stderr, "ipos = %d\n", ipos ); |
---|
2975 | // fprintf( stderr, "iposamari = %d\n", iposamari ); |
---|
2976 | |
---|
2977 | // fprintf( stderr, " calling blast, i=%d\n", i ); |
---|
2978 | // blastresults = callfasta( seq, scores+i, 1, 0, 1 ); |
---|
2979 | blastresults = callfasta( seq, scores+ipos, MIN(KIZAMI,njob-ipos), NULL, iposamari, (iposamari==0) ); |
---|
2980 | // fprintf( stderr, "done., i=%d\n\n", i ); |
---|
2981 | scores[i].selfscore = (int)blastresults[iposamari]; |
---|
2982 | #if 0 |
---|
2983 | for( j=0; j<100; j++ ) |
---|
2984 | { |
---|
2985 | fprintf( stderr, "res[%d] = %f\n", j, blastresults[j] ); |
---|
2986 | } |
---|
2987 | #endif |
---|
2988 | // fprintf( stderr, "%d->selfscore = %d\n", i, scores[i].selfscore ); |
---|
2989 | free( blastresults ); |
---|
2990 | #else |
---|
2991 | pscore = 0; |
---|
2992 | if( scoremtx == -1 ) |
---|
2993 | { |
---|
2994 | st = 1; |
---|
2995 | en = 0; |
---|
2996 | for( pt=seq[i]; *pt; pt++ ) |
---|
2997 | { |
---|
2998 | if( *pt == 'u' ) *pt = 't'; |
---|
2999 | aan = amino_n[(int)*pt]; |
---|
3000 | if( aan<0 || aan >= 4 ) *pt = 'n'; |
---|
3001 | |
---|
3002 | if( *pt == 'n' ) |
---|
3003 | { |
---|
3004 | en++; |
---|
3005 | if( st ) continue; |
---|
3006 | else pscore += tmpaminodis[(int)*pt][(int)*pt]; |
---|
3007 | } |
---|
3008 | else |
---|
3009 | { |
---|
3010 | st = 0; |
---|
3011 | en = 0; |
---|
3012 | pscore += tmpaminodis[(int)*pt][(int)*pt]; |
---|
3013 | } |
---|
3014 | } |
---|
3015 | scores[i].selfscore = pscore - en * tmpaminodis['n']['n']; |
---|
3016 | } |
---|
3017 | else |
---|
3018 | { |
---|
3019 | st = 1; |
---|
3020 | en = 0; |
---|
3021 | for( pt=seq[i]; *pt; pt++ ) |
---|
3022 | { |
---|
3023 | aan = amino_n[(int)*pt]; |
---|
3024 | if( aan<0 || aan >= 20 ) *pt = 'X'; |
---|
3025 | if( *pt == 'X' ) |
---|
3026 | { |
---|
3027 | en++; |
---|
3028 | if( st ) continue; |
---|
3029 | else pscore += tmpaminodis[(int)*pt][(int)*pt]; |
---|
3030 | } |
---|
3031 | else |
---|
3032 | { |
---|
3033 | st = 0; |
---|
3034 | en = 0; |
---|
3035 | pscore += tmpaminodis[(int)*pt][(int)*pt]; |
---|
3036 | } |
---|
3037 | } |
---|
3038 | scores[i].selfscore = pscore - en * tmpaminodis['X']['X']; |
---|
3039 | } |
---|
3040 | #endif |
---|
3041 | } |
---|
3042 | else |
---|
3043 | { |
---|
3044 | pscore = 0; |
---|
3045 | for( pt=seq[i]; *pt; pt++ ) |
---|
3046 | { |
---|
3047 | pscore += amino_dis[(int)*pt][(int)*pt]; |
---|
3048 | } |
---|
3049 | scores[i].selfscore = pscore; |
---|
3050 | } |
---|
3051 | // fprintf( stderr, "selfscore[%d] = %d\n", i+1, scores[i].selfscore ); |
---|
3052 | } |
---|
3053 | else |
---|
3054 | { |
---|
3055 | table1 = (short *)calloc( tsize, sizeof( short ) ); |
---|
3056 | if( !table1 ) ErrorExit( "Cannot allocate table1\n" ); |
---|
3057 | makecompositiontable_p( table1, pointt[i] ); |
---|
3058 | scores[i].selfscore = commonsextet_p( table1, pointt[i] ); |
---|
3059 | free( table1 ); |
---|
3060 | } |
---|
3061 | } |
---|
3062 | if( tmpaminodis ) FreeIntMtx( tmpaminodis ); |
---|
3063 | |
---|
3064 | depth = 0; |
---|
3065 | #if TREE |
---|
3066 | if( treeout ) |
---|
3067 | { |
---|
3068 | tree = (char **)calloc( 1, sizeof( char *) ); |
---|
3069 | *tree = NULL; |
---|
3070 | // splitseq_bin( scores, njob, nlen, seq, name, inputfile, 0, tree, &alloclen, order, whichgroup, weight ); |
---|
3071 | completed = splitseq_mq( scores, njob, nlen, seq, orialn, name, inputfile, 0, tree, &alloclen, order, whichgroup, weight, &depth, -1 ); |
---|
3072 | treefile = (char *)calloc( strlen( inputfile ) + 10, sizeof( char ) ); |
---|
3073 | if( inputfile ) |
---|
3074 | sprintf( treefile, "%s.tree", inputfile ); |
---|
3075 | else |
---|
3076 | sprintf( treefile, "splittbfast.tree" ); |
---|
3077 | treefp = fopen( treefile, "w" ); |
---|
3078 | fprintf( treefp, "%s\n", *tree ); |
---|
3079 | fclose( treefp ); |
---|
3080 | } |
---|
3081 | else |
---|
3082 | completed = splitseq_mq( scores, njob, nlen, seq, orialn, name, inputfile, 0, tree, &alloclen, order, whichgroup, weight, &depth, -1 ); |
---|
3083 | #else |
---|
3084 | completed = splitseq_mq( scores, njob, nlen, seq, orialn, name, inputfile, 0, tree, &alloclen, order, whichgroup, weight, &depth, -1 ); |
---|
3085 | #endif |
---|
3086 | |
---|
3087 | fprintf( stderr, "\nDone.\n\n" ); |
---|
3088 | |
---|
3089 | #if 1 |
---|
3090 | groupnum = 0; |
---|
3091 | groupid = -1; |
---|
3092 | paramem = NULL; |
---|
3093 | npara = 0; |
---|
3094 | for( i=0; i<njob; i++ ) |
---|
3095 | { |
---|
3096 | pos = order[i]; |
---|
3097 | if( whichgroup[pos] != groupid ) |
---|
3098 | { |
---|
3099 | groupnum++; |
---|
3100 | groupid = whichgroup[pos]; |
---|
3101 | } |
---|
3102 | if( whichgroup[pos] ) |
---|
3103 | { |
---|
3104 | if( paramem ) |
---|
3105 | { |
---|
3106 | paramem[npara] = -1; |
---|
3107 | if( npara > 1 && classsize > 2 ) |
---|
3108 | { |
---|
3109 | qsort( paramem, npara, sizeof( int ), (int (*)(const void *, const void*))intcompare ); |
---|
3110 | // selhead( paramem, npara ); |
---|
3111 | alignparaphiles( njob, nlen, weight, seq, npara, paramem, &alloclen ); |
---|
3112 | } |
---|
3113 | free( paramem ); paramem = NULL; npara = 0; |
---|
3114 | } |
---|
3115 | sprintf( tmpname, "Group-%d %s", groupnum, name[pos]+1 ); |
---|
3116 | } |
---|
3117 | else |
---|
3118 | { |
---|
3119 | paramem = realloc( paramem, sizeof( int) * ( npara + 2 ) ); |
---|
3120 | paramem[npara++] = pos; |
---|
3121 | sprintf( tmpname, "Group-para %s", name[pos]+1 ); |
---|
3122 | } |
---|
3123 | tmpname[B-1] = 0; |
---|
3124 | if( classsize > 1 && classsize <= njob ) |
---|
3125 | strcpy( name[pos]+1, tmpname ); |
---|
3126 | } |
---|
3127 | if( paramem ) |
---|
3128 | { |
---|
3129 | paramem[npara] = -1; |
---|
3130 | if( npara > 1 && classsize > 2 ) |
---|
3131 | { |
---|
3132 | qsort( paramem, npara, sizeof( int ), (int (*)(const void *, const void*))intcompare ); |
---|
3133 | // selhead( paramem, npara ); |
---|
3134 | alignparaphiles( njob, nlen, weight, seq, npara, paramem, &alloclen ); |
---|
3135 | } |
---|
3136 | free( paramem ); paramem = NULL; npara = 0; |
---|
3137 | } |
---|
3138 | #else |
---|
3139 | for( i=0; i<njob; i++ ) |
---|
3140 | { |
---|
3141 | sprintf( tmpname, "Group-%d %s", whichgroup[i], name[i]+1 ); |
---|
3142 | strcpy( name[i]+1, tmpname ); |
---|
3143 | } |
---|
3144 | #endif |
---|
3145 | |
---|
3146 | |
---|
3147 | // maketanni( name, seq, njob, nlenmax, nlen ); |
---|
3148 | |
---|
3149 | fclose( trap_g ); |
---|
3150 | |
---|
3151 | #if DEBUG |
---|
3152 | fprintf( stderr, "writing alignment to stdout\n" ); |
---|
3153 | #endif |
---|
3154 | if( reorder ) |
---|
3155 | writeData_reorder_pointer( stdout, njob, name, nlen, seq, order ); |
---|
3156 | else |
---|
3157 | writeData_pointer( stdout, njob, name, nlen, seq ); |
---|
3158 | #if IODEBUG |
---|
3159 | fprintf( stderr, "OSHIMAI\n" ); |
---|
3160 | #endif |
---|
3161 | if( classsize == 1 ) |
---|
3162 | { |
---|
3163 | fprintf( stderr, "\n\n" ); |
---|
3164 | fprintf( stderr, "----------------------------------------------------------------------------\n" ); |
---|
3165 | fprintf( stderr, "\n" ); |
---|
3166 | fprintf( stderr, "nseq = %d\n", njob ); |
---|
3167 | fprintf( stderr, "groupsize = %d, picksize=%d\n", classsize, picksize ); |
---|
3168 | fprintf( stderr, "The input sequences have been sorted so that similar sequences are close.\n" ); |
---|
3169 | if( reorder ) |
---|
3170 | fprintf( stderr, "The order of sequences has been changed according to estimated similarity.\n" ); |
---|
3171 | #if TREE |
---|
3172 | if( treeout ) |
---|
3173 | { |
---|
3174 | fprintf( stderr, "\n" ); |
---|
3175 | fprintf( stderr, "A guide tree is in the '%s' file.\n", treefile ); |
---|
3176 | } |
---|
3177 | // else |
---|
3178 | // { |
---|
3179 | // fprintf( stderr, "To output guide tree,\n" ); |
---|
3180 | // fprintf( stderr, "%% %s -t -i %s\n", progName( argv[0] ), "inputfile" ); |
---|
3181 | // } |
---|
3182 | #endif |
---|
3183 | if( !doalign ) |
---|
3184 | { |
---|
3185 | fprintf( stderr, "\n" ); |
---|
3186 | fprintf( stderr, "mafft --dpparttree might give a better result, although slow.\n" ); |
---|
3187 | fprintf( stderr, "mafft --fastaparttree is also available if you have fasta34.\n" ); |
---|
3188 | } |
---|
3189 | fprintf( stderr, "\n" ); |
---|
3190 | fprintf( stderr, "----------------------------------------------------------------------------\n" ); |
---|
3191 | } |
---|
3192 | else if( groupnum > 1 ) |
---|
3193 | { |
---|
3194 | fprintf( stderr, "\n\n" ); |
---|
3195 | fprintf( stderr, "----------------------------------------------------------------------------\n" ); |
---|
3196 | fprintf( stderr, "\n" ); |
---|
3197 | fprintf( stderr, "groupsize = %d, picksize=%d\n", classsize, picksize ); |
---|
3198 | fprintf( stderr, "The input sequences have been classified into %d groups + some paraphyletic groups\n", groupnum ); |
---|
3199 | fprintf( stderr, "Note that the alignment is not completed.\n" ); |
---|
3200 | if( reorder ) |
---|
3201 | fprintf( stderr, "The order of sequences has been changed according to estimated similarity.\n" ); |
---|
3202 | #if TREE |
---|
3203 | if( treeout ) |
---|
3204 | { |
---|
3205 | fprintf( stderr, "\n" ); |
---|
3206 | fprintf( stderr, "A guide tree is in the '%s' file.\n", treefile ); |
---|
3207 | } |
---|
3208 | // else |
---|
3209 | // { |
---|
3210 | // fprintf( stderr, "To output guide tree,\n" ); |
---|
3211 | // fprintf( stderr, "%% %s -t -i %s\n", progName( argv[0] ), "inputfile" ); |
---|
3212 | // } |
---|
3213 | #endif |
---|
3214 | if( !doalign ) |
---|
3215 | { |
---|
3216 | fprintf( stderr, "\n" ); |
---|
3217 | fprintf( stderr, "mafft --dpparttree might give a better result, although slow.\n" ); |
---|
3218 | fprintf( stderr, "mafft --fastaparttree is also available if you have fasta34.\n" ); |
---|
3219 | } |
---|
3220 | fprintf( stderr, "\n" ); |
---|
3221 | fprintf( stderr, "----------------------------------------------------------------------------\n" ); |
---|
3222 | } |
---|
3223 | else |
---|
3224 | { |
---|
3225 | fprintf( stderr, "\n\n" ); |
---|
3226 | fprintf( stderr, "----------------------------------------------------------------------------\n" ); |
---|
3227 | fprintf( stderr, "\n" ); |
---|
3228 | fprintf( stderr, "nseq = %d\n", njob ); |
---|
3229 | fprintf( stderr, "groupsize = %d, partsize=%d\n", classsize, picksize ); |
---|
3230 | // fprintf( stderr, "A single alignment containing all the input sequences has been computed.\n" ); |
---|
3231 | // fprintf( stderr, "If the sequences are highly diverged and you feel there are too many gaps,\n" ); |
---|
3232 | // fprintf( stderr, "please try \n" ); |
---|
3233 | // fprintf( stderr, "%% mafft --parttree --groupsize 100 inputfile\n" ); |
---|
3234 | // fprintf( stderr, "which classifies the sequences into several groups with <~ 100 sequences\n" ); |
---|
3235 | // fprintf( stderr, "and performs only intra-group alignments.\n" ); |
---|
3236 | if( reorder ) |
---|
3237 | fprintf( stderr, "The order of sequences has been changed according to estimated similarity.\n" ); |
---|
3238 | #if TREE |
---|
3239 | if( treeout ) |
---|
3240 | { |
---|
3241 | fprintf( stderr, "\n" ); |
---|
3242 | fprintf( stderr, "A guide tree is in the '%s' file.\n", treefile ); |
---|
3243 | } |
---|
3244 | // else |
---|
3245 | // { |
---|
3246 | // fprintf( stderr, "To output guide tree,\n" ); |
---|
3247 | // fprintf( stderr, "%% %s -t -i %s\n", progName( argv[0] ), "inputfile" ); |
---|
3248 | // } |
---|
3249 | #endif |
---|
3250 | if( !doalign || fromaln ) |
---|
3251 | { |
---|
3252 | fprintf( stderr, "\n" ); |
---|
3253 | fprintf( stderr, "mafft --dpparttree might give a better result, although slow.\n" ); |
---|
3254 | fprintf( stderr, "mafft --fastaparttree is also available if you have fasta34.\n" ); |
---|
3255 | } |
---|
3256 | fprintf( stderr, "\n" ); |
---|
3257 | fprintf( stderr, "----------------------------------------------------------------------------\n" ); |
---|
3258 | } |
---|
3259 | #if TREE |
---|
3260 | if( treeout ) free( treefile ); |
---|
3261 | #endif |
---|
3262 | |
---|
3263 | #if 0 |
---|
3264 | fprintf( stdout, "weight =\n" ); |
---|
3265 | for( i=0; i<njob; i++ ) |
---|
3266 | fprintf( stdout, "%d: %f\n", i+1, weight[i] ); |
---|
3267 | #endif |
---|
3268 | |
---|
3269 | if( doalign == 'f' ) |
---|
3270 | { |
---|
3271 | strcpy( com, "rm -f" ); |
---|
3272 | strcat( com, " " ); |
---|
3273 | strcat( com, datafile ); |
---|
3274 | strcat( com, "* " ); |
---|
3275 | strcat( com, queryfile ); |
---|
3276 | strcat( com, " " ); |
---|
3277 | strcat( com, resultfile ); |
---|
3278 | fprintf( stderr, "%s\n", com ); |
---|
3279 | system( com ); |
---|
3280 | } |
---|
3281 | |
---|
3282 | SHOWVERSION; |
---|
3283 | |
---|
3284 | return( 0 ); |
---|
3285 | } |
---|