| 1 | #define USE_XCED 0 |
|---|
| 2 | |
|---|
| 3 | #if USE_XCED |
|---|
| 4 | #include "config.h" |
|---|
| 5 | #include "share.h" |
|---|
| 6 | #else |
|---|
| 7 | #endif |
|---|
| 8 | |
|---|
| 9 | #include <stdio.h> |
|---|
| 10 | #include <stdlib.h> |
|---|
| 11 | #include <stddef.h> |
|---|
| 12 | #include <sys/types.h> |
|---|
| 13 | #include <string.h> |
|---|
| 14 | #include <unistd.h> |
|---|
| 15 | #include <math.h> |
|---|
| 16 | #include <ctype.h> |
|---|
| 17 | #include "mtxutl.h" |
|---|
| 18 | #include <float.h> |
|---|
| 19 | #ifdef enablemultithread |
|---|
| 20 | #include <pthread.h> |
|---|
| 21 | #endif |
|---|
| 22 | |
|---|
| 23 | #define VERSION "7.055b" |
|---|
| 24 | #define SHOWVERSION fprintf( stderr, "%s (%s) Version " VERSION " alg=%c, model=%s\n%d thread(s)\n", progName( argv[0] ), (dorp=='d')?"nuc":"aa", alg, modelname, nthread ) |
|---|
| 25 | |
|---|
| 26 | #define FFT_THRESHOLD 80 |
|---|
| 27 | #define FFT_WINSIZE_P 20 |
|---|
| 28 | #define FFT_WINSIZE_D 100 |
|---|
| 29 | #define DISPSEQF 60 |
|---|
| 30 | #define DISPSITEI 0 |
|---|
| 31 | #define MAXITERATION 500 |
|---|
| 32 | #define M 500000 /* njob no saidaiti */ |
|---|
| 33 | #define N 5000000 /* nlen no saidaiti */ |
|---|
| 34 | #define MAXSEG 100000 |
|---|
| 35 | #define B 256 |
|---|
| 36 | #define C 60 /* 1 gyou no mojisuu */ |
|---|
| 37 | #define D 6 |
|---|
| 38 | #define rnd() ( ( 1.0 / ( RAND_MAX + 1.0 ) ) * rand() ) |
|---|
| 39 | #define MAX(X,Y) ( ((X)>(Y))?(X):(Y) ) |
|---|
| 40 | #define MIN(X,Y) ( ((X)<(Y))?(X):(Y) ) |
|---|
| 41 | #define G(X) ( ((X)>(0))?(X):(0) ) |
|---|
| 42 | #define BEFF 1.0 /* 0.6 ni suruto zureru */ |
|---|
| 43 | #define WIN 3 |
|---|
| 44 | #define SGAPP -1000 |
|---|
| 45 | #define GETA2 0.001 |
|---|
| 46 | #define GETA3 0.001 |
|---|
| 47 | #define NOTSPECIFIED 100009 |
|---|
| 48 | #define SUEFF 0.1 /* upg/(spg+upg) -> sueff.sed */ |
|---|
| 49 | #define DIVLOCAL 0 |
|---|
| 50 | #define INTMTXSCALE 1000000.0 |
|---|
| 51 | #define JTT 201 |
|---|
| 52 | #define TM 202 |
|---|
| 53 | |
|---|
| 54 | extern char modelname[100]; |
|---|
| 55 | extern int njob, nlenmax; |
|---|
| 56 | extern int amino_n[0x80]; |
|---|
| 57 | extern char amino_grp[0x80]; |
|---|
| 58 | extern int amino_dis[0x80][0x80]; |
|---|
| 59 | extern int amino_disLN[0x80][0x80]; |
|---|
| 60 | extern double amino_dis_consweight_multi[0x80][0x80]; |
|---|
| 61 | extern int n_dis[26][26]; |
|---|
| 62 | extern int n_disFFT[26][26]; |
|---|
| 63 | extern float n_dis_consweight_multi[26][26]; |
|---|
| 64 | extern char amino[26]; |
|---|
| 65 | extern double polarity[20]; |
|---|
| 66 | extern double volume[20]; |
|---|
| 67 | extern int ribosumdis[37][37]; |
|---|
| 68 | |
|---|
| 69 | extern int ppid; |
|---|
| 70 | extern double thrinter; |
|---|
| 71 | extern double fastathreshold; |
|---|
| 72 | extern int pslocal, ppslocal; |
|---|
| 73 | extern int constraint; |
|---|
| 74 | extern int divpairscore; |
|---|
| 75 | extern int fmodel; // 1-> fmodel 0->default -1->raw |
|---|
| 76 | extern int nblosum; // 45, 50, 62, 80 |
|---|
| 77 | extern int kobetsubunkatsu; |
|---|
| 78 | extern int bunkatsu; |
|---|
| 79 | extern int dorp; |
|---|
| 80 | extern int niter; |
|---|
| 81 | extern int contin; |
|---|
| 82 | extern int calledByXced; |
|---|
| 83 | extern int devide; |
|---|
| 84 | extern int scmtd; |
|---|
| 85 | extern int weight; |
|---|
| 86 | extern int utree; |
|---|
| 87 | extern int tbutree; |
|---|
| 88 | extern int refine; |
|---|
| 89 | extern int check; |
|---|
| 90 | extern double cut; |
|---|
| 91 | extern int cooling; |
|---|
| 92 | extern int penalty, ppenalty, penaltyLN; |
|---|
| 93 | extern int RNApenalty, RNAppenalty; |
|---|
| 94 | extern int RNApenalty_ex, RNAppenalty_ex; |
|---|
| 95 | extern int penalty_ex, ppenalty_ex, penalty_exLN; |
|---|
| 96 | extern int penalty_EX, ppenalty_EX; |
|---|
| 97 | extern int penalty_OP, ppenalty_OP; |
|---|
| 98 | extern int offset, poffset, offsetLN, offsetFFT; |
|---|
| 99 | extern int RNAthr, RNApthr; |
|---|
| 100 | extern int scoremtx; |
|---|
| 101 | extern int TMorJTT; |
|---|
| 102 | extern char use_fft; |
|---|
| 103 | extern char force_fft; |
|---|
| 104 | extern int nevermemsave; |
|---|
| 105 | extern int fftscore; |
|---|
| 106 | extern int fftWinSize; |
|---|
| 107 | extern int fftThreshold; |
|---|
| 108 | extern int fftRepeatStop; |
|---|
| 109 | extern int fftNoAnchStop; |
|---|
| 110 | extern int divWinSize; |
|---|
| 111 | extern int divThreshold; |
|---|
| 112 | extern int disp; |
|---|
| 113 | extern int outgap; |
|---|
| 114 | extern char alg; |
|---|
| 115 | extern int cnst; |
|---|
| 116 | extern int mix; |
|---|
| 117 | extern int tbitr; |
|---|
| 118 | extern int tbweight; |
|---|
| 119 | extern int tbrweight; |
|---|
| 120 | extern int disopt; |
|---|
| 121 | extern int pamN; |
|---|
| 122 | extern int checkC; |
|---|
| 123 | extern float geta2; |
|---|
| 124 | extern int treemethod; |
|---|
| 125 | extern int kimuraR; |
|---|
| 126 | extern char *swopt; |
|---|
| 127 | extern int fftkeika; |
|---|
| 128 | extern int score_check; |
|---|
| 129 | extern char *inputfile; |
|---|
| 130 | extern char *addfile; |
|---|
| 131 | extern int addprofile; |
|---|
| 132 | extern float consweight_multi; |
|---|
| 133 | extern float consweight_rna; |
|---|
| 134 | extern char RNAscoremtx; |
|---|
| 135 | |
|---|
| 136 | extern char *signalSM; |
|---|
| 137 | extern FILE *prep_g; |
|---|
| 138 | extern FILE *trap_g; |
|---|
| 139 | extern char **seq_g; |
|---|
| 140 | extern char **res_g; |
|---|
| 141 | extern int rnakozo; |
|---|
| 142 | extern char rnaprediction; |
|---|
| 143 | |
|---|
| 144 | /* sengen no ichi ha koko dake de ha nai */ |
|---|
| 145 | extern void constants(); |
|---|
| 146 | extern char **Calignm1(); |
|---|
| 147 | extern char **Dalignm1(); |
|---|
| 148 | extern char **align0(); |
|---|
| 149 | extern double Cscore_m_1( char **, int, int, double ** ); |
|---|
| 150 | extern double score_m_1( char **, int, int, double ** ); |
|---|
| 151 | extern double score_calc0( char **, int, double **, int ); |
|---|
| 152 | extern char seqcheck( char ** ); |
|---|
| 153 | extern float substitution( char *, char * ); |
|---|
| 154 | extern float substitution_score( char *, char * ); |
|---|
| 155 | extern float substitution_nid( char *, char * ); |
|---|
| 156 | extern float substitution_hosei( char *, char * ); |
|---|
| 157 | extern double ipower( double, int ); |
|---|
| 158 | extern float translate_and_Calign(); |
|---|
| 159 | extern float A__align(); |
|---|
| 160 | extern float A__align11(); |
|---|
| 161 | extern float A__align_gapmap(); |
|---|
| 162 | extern float partA__align(); |
|---|
| 163 | extern float L__align11(); |
|---|
| 164 | extern float G__align11(); |
|---|
| 165 | extern float Falign(); |
|---|
| 166 | extern float Falign_localhom(); |
|---|
| 167 | extern float Conalign(); |
|---|
| 168 | extern float Aalign(); |
|---|
| 169 | extern float imp_match_out_sc( int, int ); |
|---|
| 170 | extern float part_imp_match_out_sc( int, int ); |
|---|
| 171 | extern void ErrorExit(); |
|---|
| 172 | extern void cpmx_calc(); |
|---|
| 173 | extern void intergroup_score( char **, char **, double *, double *, int, int, int, double * ); |
|---|
| 174 | extern int conjuctionfortbfast(); |
|---|
| 175 | extern int fastconjuction(); |
|---|
| 176 | extern char seqcheck( char ** ); |
|---|
| 177 | |
|---|
| 178 | typedef struct _LocalHom |
|---|
| 179 | { |
|---|
| 180 | int nokori; |
|---|
| 181 | struct _LocalHom *next; |
|---|
| 182 | struct _LocalHom *last; |
|---|
| 183 | int start1; |
|---|
| 184 | int end1; |
|---|
| 185 | int start2; |
|---|
| 186 | int end2; |
|---|
| 187 | double opt; |
|---|
| 188 | int overlapaa; |
|---|
| 189 | int extended; |
|---|
| 190 | double importance; |
|---|
| 191 | float fimportance; |
|---|
| 192 | double wimportance; |
|---|
| 193 | char korh; |
|---|
| 194 | } LocalHom; |
|---|
| 195 | |
|---|
| 196 | typedef struct _NodeInCub |
|---|
| 197 | { |
|---|
| 198 | int step; |
|---|
| 199 | int LorR; |
|---|
| 200 | } NodeInCub; |
|---|
| 201 | |
|---|
| 202 | typedef struct _Node |
|---|
| 203 | { |
|---|
| 204 | struct _Node *children[3]; |
|---|
| 205 | int tmpChildren[3]; |
|---|
| 206 | double length[3]; |
|---|
| 207 | double *weightptr[3]; |
|---|
| 208 | int top[3]; |
|---|
| 209 | int *members[3]; |
|---|
| 210 | } Node; |
|---|
| 211 | |
|---|
| 212 | typedef struct _Segment |
|---|
| 213 | { |
|---|
| 214 | int start; |
|---|
| 215 | int end; |
|---|
| 216 | int center; |
|---|
| 217 | double score; |
|---|
| 218 | int skipForeward; |
|---|
| 219 | int skipBackward; |
|---|
| 220 | struct _Segment *pair; |
|---|
| 221 | int number; |
|---|
| 222 | } Segment; |
|---|
| 223 | |
|---|
| 224 | typedef struct _Segments |
|---|
| 225 | { |
|---|
| 226 | Segment group1; |
|---|
| 227 | Segment group2; |
|---|
| 228 | int number1; |
|---|
| 229 | int number2; |
|---|
| 230 | } Segments; |
|---|
| 231 | |
|---|
| 232 | typedef struct _Bchain |
|---|
| 233 | { |
|---|
| 234 | struct _Bchain *next; |
|---|
| 235 | struct _Bchain *prev; |
|---|
| 236 | int pos; |
|---|
| 237 | } Bchain; |
|---|
| 238 | |
|---|
| 239 | typedef struct _Achain |
|---|
| 240 | { |
|---|
| 241 | int next; |
|---|
| 242 | int prev; |
|---|
| 243 | // int curr; |
|---|
| 244 | } Achain; |
|---|
| 245 | |
|---|
| 246 | |
|---|
| 247 | typedef struct _Fukusosuu |
|---|
| 248 | { |
|---|
| 249 | double R; |
|---|
| 250 | double I; |
|---|
| 251 | } Fukusosuu; |
|---|
| 252 | |
|---|
| 253 | typedef struct _Gappattern |
|---|
| 254 | { |
|---|
| 255 | int len; |
|---|
| 256 | float freq; |
|---|
| 257 | } Gappat; |
|---|
| 258 | |
|---|
| 259 | typedef struct _RNApair |
|---|
| 260 | { |
|---|
| 261 | int uppos; |
|---|
| 262 | float upscore; |
|---|
| 263 | int downpos; |
|---|
| 264 | float downscore; |
|---|
| 265 | int bestpos; |
|---|
| 266 | float bestscore; |
|---|
| 267 | } RNApair; |
|---|
| 268 | |
|---|
| 269 | typedef struct _Treedep |
|---|
| 270 | { |
|---|
| 271 | int child0; |
|---|
| 272 | int child1; |
|---|
| 273 | int done; |
|---|
| 274 | float distfromtip; |
|---|
| 275 | } Treedep; |
|---|
| 276 | |
|---|
| 277 | typedef struct _Addtree |
|---|
| 278 | { |
|---|
| 279 | int nearest; |
|---|
| 280 | float dist1; |
|---|
| 281 | char *neighbors; |
|---|
| 282 | float dist2; |
|---|
| 283 | } Addtree; |
|---|
| 284 | |
|---|
| 285 | |
|---|
| 286 | #include "fft.h" |
|---|
| 287 | #include "dp.h" |
|---|
| 288 | #include "functions.h" |
|---|
| 289 | |
|---|
| 290 | #ifdef enablemultithread |
|---|
| 291 | #define TLS __thread |
|---|
| 292 | #else |
|---|
| 293 | #define TLS |
|---|
| 294 | #endif |
|---|
| 295 | |
|---|
| 296 | extern TLS int commonAlloc1; |
|---|
| 297 | extern TLS int commonAlloc2; |
|---|
| 298 | extern TLS int **commonIP; |
|---|
| 299 | extern TLS int **commonJP; |
|---|
| 300 | extern int nthread; |
|---|
| 301 | extern int randomseed; |
|---|
| 302 | extern int parallelizationstrategy; |
|---|
| 303 | #define BESTFIRST 0 |
|---|
| 304 | #define BAATARI0 1 |
|---|
| 305 | #define BAATARI1 2 |
|---|
| 306 | #define BAATARI2 3 |
|---|
| 307 | |
|---|
| 308 | extern int scoreout; |
|---|
| 309 | extern int outnumber; |
|---|
| 310 | |
|---|
| 311 | extern TLS char *newgapstr; |
|---|