Mercurial > repos > nick > duplex
view mafft/core/tbfast.c @ 18:e4d75f9efb90 draft
planemo upload commit b'4303231da9e48b2719b4429a29b72421d24310f4\n'-dirty
author | nick |
---|---|
date | Thu, 02 Feb 2017 18:44:31 -0500 |
parents | |
children |
line wrap: on
line source
#include "mltaln.h" #define DEBUG 0 #define IODEBUG 0 #define SCOREOUT 0 static int nadd; static int treein; static int topin; static int treeout; static int distout; static int noalign; static int multidist; static int subalignment; static int subalignmentoffset; #ifdef enablemultithread typedef struct _jobtable { int i; int j; } Jobtable; typedef struct _distancematrixthread_arg { int njob; int thread_no; float *selfscore; float **iscore; char **seq; int **skiptable; Jobtable *jobpospt; pthread_mutex_t *mutex; } distancematrixthread_arg_t; typedef struct _treebasethread_arg { int thread_no; int *nrunpt; int njob; int *nlen; int *jobpospt; int ***topol; Treedep *dep; char **aseq; double *effarr; int *alloclenpt; LocalHom **localhomtable; RNApair ***singlerna; double *effarr_kozo; int *fftlog; char *mergeoralign; pthread_mutex_t *mutex; pthread_cond_t *treecond; } treebasethread_arg_t; #endif void arguments( int argc, char *argv[] ) { int c; nthread = 1; outnumber = 0; scoreout = 0; spscoreout = 0; treein = 0; topin = 0; rnaprediction = 'm'; rnakozo = 0; nevermemsave = 0; inputfile = NULL; addfile = NULL; addprofile = 1; fftkeika = 0; constraint = 0; nblosum = 62; fmodel = 0; calledByXced = 0; devide = 0; use_fft = 0; // chuui force_fft = 0; fftscore = 1; fftRepeatStop = 0; fftNoAnchStop = 0; weight = 3; utree = 1; tbutree = 1; refine = 0; check = 1; cut = 0.0; disp = 0; outgap = 1; alg = 'A'; mix = 0; tbitr = 0; scmtd = 5; tbweight = 0; tbrweight = 3; checkC = 0; treemethod = 'X'; sueff_global = 0.1; contin = 0; scoremtx = 1; kobetsubunkatsu = 0; dorp = NOTSPECIFIED; ppenalty_dist = NOTSPECIFIED; ppenalty = NOTSPECIFIED; penalty_shift_factor = 1000.0; ppenalty_ex = NOTSPECIFIED; poffset = NOTSPECIFIED; kimuraR = NOTSPECIFIED; pamN = NOTSPECIFIED; geta2 = GETA2; fftWinSize = NOTSPECIFIED; fftThreshold = NOTSPECIFIED; RNAppenalty = NOTSPECIFIED; RNAppenalty_ex = NOTSPECIFIED; RNApthr = NOTSPECIFIED; TMorJTT = JTT; consweight_multi = 1.0; consweight_rna = 0.0; multidist = 0; subalignment = 0; subalignmentoffset = 0; legacygapcost = 0; specificityconsideration = 0.0; while( --argc > 0 && (*++argv)[0] == '-' ) { while ( ( c = *++argv[0] ) ) { switch( c ) { case 'i': inputfile = *++argv; fprintf( stderr, "inputfile = %s\n", inputfile ); --argc; goto nextoption; case 'I': nadd = myatoi( *++argv ); fprintf( stderr, "nadd = %d\n", nadd ); --argc; goto nextoption; case 'e': RNApthr = (int)( atof( *++argv ) * 1000 - 0.5 ); --argc; goto nextoption; case 'o': RNAppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); --argc; goto nextoption; case 'V': ppenalty_dist = (int)( atof( *++argv ) * 1000 - 0.5 ); // fprintf( stderr, "ppenalty = %d\n", ppenalty ); --argc; goto nextoption; case 'f': ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); // fprintf( stderr, "ppenalty = %d\n", ppenalty ); --argc; goto nextoption; case 'Q': penalty_shift_factor = atof( *++argv ); --argc; goto nextoption; case 'g': ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); fprintf( stderr, "ppenalty_ex = %d\n", ppenalty_ex ); --argc; goto nextoption; case 'h': poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); // fprintf( stderr, "poffset = %d\n", poffset ); --argc; goto nextoption; case 'k': kimuraR = myatoi( *++argv ); fprintf( stderr, "kappa = %d\n", kimuraR ); --argc; goto nextoption; case 'b': nblosum = myatoi( *++argv ); scoremtx = 1; fprintf( stderr, "blosum %d / kimura 200\n", nblosum ); --argc; goto nextoption; case 'j': pamN = myatoi( *++argv ); scoremtx = 0; TMorJTT = JTT; fprintf( stderr, "jtt/kimura %d\n", pamN ); --argc; goto nextoption; case 'm': pamN = myatoi( *++argv ); scoremtx = 0; TMorJTT = TM; fprintf( stderr, "tm %d\n", pamN ); --argc; goto nextoption; case 'l': fastathreshold = atof( *++argv ); constraint = 2; --argc; goto nextoption; case 'r': consweight_rna = atof( *++argv ); rnakozo = 1; --argc; goto nextoption; case 'c': consweight_multi = atof( *++argv ); --argc; goto nextoption; case 'C': nthread = myatoi( *++argv ); fprintf( stderr, "nthread = %d\n", nthread ); --argc; goto nextoption; case 's': specificityconsideration = (double)myatof( *++argv ); // fprintf( stderr, "specificityconsideration = %f\n", specificityconsideration ); --argc; goto nextoption; case 'R': rnaprediction = 'r'; #if 1 case 'a': fmodel = 1; break; #endif case 'K': addprofile = 0; break; case 'y': distout = 1; break; case 't': treeout = 1; break; case 'T': noalign = 1; break; case 'D': dorp = 'd'; break; case 'P': dorp = 'p'; break; case 'L': legacygapcost = 1; break; #if 1 case 'O': outgap = 0; break; #else case 'O': fftNoAnchStop = 1; break; #endif #if 0 case 'S' : scoreout = 1; // for checking parallel calculation break; #else case 'S' : spscoreout = 1; // 2014/Dec/30, sp score break; #endif case 'H': subalignment = 1; subalignmentoffset = myatoi( *++argv ); --argc; goto nextoption; #if 0 case 'e': fftscore = 0; break; case 'r': fmodel = -1; break; case 'R': fftRepeatStop = 1; break; case 's': treemethod = 's'; break; #endif case 'X': treemethod = 'X'; sueff_global = atof( *++argv ); fprintf( stderr, "sueff_global = %f\n", sueff_global ); --argc; goto nextoption; case 'E': treemethod = 'E'; break; case 'q': treemethod = 'q'; break; case 'n' : outnumber = 1; break; #if 0 case 'a': alg = 'a'; break; case 'H': alg = 'H'; break; case 'Q': alg = 'Q'; break; #endif case 'A': alg = 'A'; break; case 'M': alg = 'M'; break; case 'N': nevermemsave = 1; break; case 'B': // hitsuyou! memopt -M -B no tame break; case 'F': use_fft = 1; break; case 'G': force_fft = 1; use_fft = 1; break; case 'U': treein = 1; break; #if 0 case 'V': topin = 1; break; #endif case 'u': tbrweight = 0; weight = 0; break; case 'v': tbrweight = 3; break; case 'd': multidist = 1; break; #if 0 case 'd': disp = 1; break; #endif /* Modified 01/08/27, default: user tree */ case 'J': tbutree = 0; break; /* modification end. */ case 'z': fftThreshold = myatoi( *++argv ); --argc; goto nextoption; case 'w': fftWinSize = myatoi( *++argv ); --argc; goto nextoption; case 'Z': checkC = 1; break; default: fprintf( stderr, "illegal option %c\n", c ); argc = 0; break; } } nextoption: ; } if( argc == 1 ) { cut = atof( (*argv) ); argc--; } if( argc != 0 ) { fprintf( stderr, "options: Check source file !\n" ); exit( 1 ); } if( tbitr == 1 && outgap == 0 ) { fprintf( stderr, "conflicting options : o, m or u\n" ); exit( 1 ); } if( alg == 'C' && outgap == 0 ) { fprintf( stderr, "conflicting options : C, o\n" ); exit( 1 ); } } #if 0 static void *distancematrixthread2( void *arg ) { distancematrixthread_arg_t *targ = (distancematrixthread_arg_t *)arg; int njob = targ->njob; int thread_no = targ->thread_no; float *selfscore = targ->selfscore; float **iscore = targ->iscore; char **seq = targ->seq; Jobtable *jobpospt = targ->jobpospt; float ssi, ssj, bunbo; int i, j; while( 1 ) { pthread_mutex_lock( targ->mutex ); i = jobpospt->i; i++; if( i == njob-1 ) { pthread_mutex_unlock( targ->mutex ); return( NULL ); } jobpospt->i = i; pthread_mutex_unlock( targ->mutex ); ssi = selfscore[i]; if( i % 10 == 0 ) fprintf( stderr, "\r% 5d / %d (thread %4d)", i, njob, thread_no ); for( j=i+1; j<njob; j++ ) { ssj = selfscore[j]; bunbo = MIN( ssi, ssj ); if( bunbo == 0.0 ) iscore[i][j-i] = 1.0; else iscore[i][j-i] = 1.0 - naivepairscore11( seq[i], seq[j], penalty_dist ) / bunbo; } } } #endif #ifdef enablemultithread static void *distancematrixthread( void *arg ) // v7.2 ijou deha tsukawanaihazu { distancematrixthread_arg_t *targ = (distancematrixthread_arg_t *)arg; int njob = targ->njob; int thread_no = targ->thread_no; float *selfscore = targ->selfscore; float **iscore = targ->iscore; char **seq = targ->seq; int **skiptable = targ->skiptable; Jobtable *jobpospt = targ->jobpospt; float ssi, ssj, bunbo; int i, j; while( 1 ) { pthread_mutex_lock( targ->mutex ); j = jobpospt->j; i = jobpospt->i; j++; if( j == njob ) { i++; j = i + 1; if( i == njob-1 ) { pthread_mutex_unlock( targ->mutex ); return( NULL ); } } jobpospt->j = j; jobpospt->i = i; pthread_mutex_unlock( targ->mutex ); if( j==i+1 && i % 10 == 0 ) fprintf( stderr, "\r% 5d / %d (thread %4d)", i, njob, thread_no ); ssi = selfscore[i]; ssj = selfscore[j]; bunbo = MIN( ssi, ssj ); if( bunbo == 0.0 ) iscore[i][j-i] = 2.0; // 2013/Oct/17 else // iscore[i][j-i] = ( 1.0 - naivepairscore11( seq[i], seq[j], penalty_dist ) / bunbo ) * 2.0; // 2013/Oct/17 iscore[i][j-i] = ( 1.0 - naivepairscorefast( seq[i], seq[j], skiptable[i], skiptable[j], penalty_dist ) / bunbo ) * 2.0; // 2014/Aug/15 fast if( iscore[i][j-i] > 10 ) iscore[i][j-i] = 10.0; // 2015/Mar/17 } } static void *treebasethread( void *arg ) { treebasethread_arg_t *targ = (treebasethread_arg_t *)arg; int *nrunpt = targ->nrunpt; int thread_no = targ->thread_no; int njob = targ->njob; int *nlen = targ->nlen; int *jobpospt = targ->jobpospt; int ***topol = targ->topol; Treedep *dep = targ->dep; char **aseq = targ->aseq; double *effarr = targ->effarr; int *alloclen = targ->alloclenpt; LocalHom **localhomtable = targ->localhomtable; RNApair ***singlerna = targ->singlerna; double *effarr_kozo = targ->effarr_kozo; int *fftlog = targ->fftlog; char *mergeoralign = targ->mergeoralign; char **mseq1, **mseq2; char **localcopy; int i, j, l; int len1, len2; int clus1, clus2; float pscore; char *indication1, *indication2; double *effarr1 = NULL; double *effarr2 = NULL; double *effarr1_kozo = NULL; double *effarr2_kozo = NULL; LocalHom ***localhomshrink = NULL; int m1, m2; float dumfl = 0.0; int ffttry; RNApair ***grouprna1 = NULL, ***grouprna2 = NULL; double **dynamicmtx; mseq1 = AllocateCharMtx( njob, 0 ); mseq2 = AllocateCharMtx( njob, 0 ); localcopy = calloc( njob, sizeof( char * ) ); dynamicmtx = AllocateDoubleMtx( nalphabets, nalphabets ); if( rnakozo && rnaprediction == 'm' ) { grouprna1 = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); grouprna2 = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); } else { grouprna1 = grouprna2 = NULL; } effarr1 = AllocateDoubleVec( njob ); effarr2 = AllocateDoubleVec( njob ); indication1 = AllocateCharVec( 150 ); indication2 = AllocateCharVec( 150 ); #if 0 #else if( constraint ) { localhomshrink = (LocalHom ***)calloc( njob, sizeof( LocalHom ** ) ); for( i=0; i<njob; i++ ) localhomshrink[i] = (LocalHom **)calloc( njob, sizeof( LocalHom *) ); } #endif effarr1_kozo = AllocateDoubleVec( njob ); //tsuneni allocate sareru. effarr2_kozo = AllocateDoubleVec( njob ); //tsuneni allocate sareru. for( i=0; i<njob; i++ ) effarr1_kozo[i] = 0.0; for( i=0; i<njob; i++ ) effarr2_kozo[i] = 0.0; #if 0 #endif #if 0 for( i=0; i<njob; i++ ) fprintf( stderr, "TBFAST effarr[%d] = %f\n", i, effarr[i] ); #endif #if 0 //-> main thread if( constraint ) calcimportance( njob, effarr, aseq, localhomtable ); #endif // writePre( njob, name, nlen, aseq, 0 ); // for( l=0; l<njob-1; l++ ) while( 1 ) { pthread_mutex_lock( targ->mutex ); l = *jobpospt; if( l == njob-1 ) { pthread_mutex_unlock( targ->mutex ); if( commonIP ) FreeIntMtx( commonIP ); commonIP = NULL; Falign( NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL, 0, 0, 0, NULL, NULL, 0, NULL ); Falign_udpari_long( NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL, 0, 0, 0, NULL ); A__align( NULL, NULL, NULL, NULL, NULL, 0, 0, 0, NULL, NULL, NULL, NULL, NULL, NULL, NULL, 0, NULL, 0, 0 ); free( mseq1 ); free( mseq2 ); free( localcopy ); free( effarr1 ); free( effarr2 ); free( effarr1_kozo ); free( effarr2_kozo ); free( indication1 ); free( indication2 ); FreeDoubleMtx( dynamicmtx ); if( rnakozo && rnaprediction == 'm' ) { if( grouprna1 ) free( grouprna1 ); // nakami ha? if( grouprna2 ) free( grouprna2 ); // nakami ha? grouprna1 = grouprna2 = NULL; } if( constraint ) { if( localhomshrink ) // nen no tame { for( i=0; i<njob; i++ ) { free( localhomshrink[i] ); localhomshrink[i] = NULL; } free( localhomshrink ); localhomshrink = NULL; } } return( NULL ); } *jobpospt = l+1; if( dep[l].child0 != -1 ) { while( dep[dep[l].child0].done == 0 ) pthread_cond_wait( targ->treecond, targ->mutex ); } if( dep[l].child1 != -1 ) { while( dep[dep[l].child1].done == 0 ) pthread_cond_wait( targ->treecond, targ->mutex ); } // while( *nrunpt >= nthread ) // pthread_cond_wait( targ->treecond, targ->mutex ); (*nrunpt)++; // pthread_mutex_unlock( targ->mutex ); if( mergeoralign[l] == 'n' ) { // fprintf( stderr, "SKIP!\n" ); dep[l].done = 1; (*nrunpt)--; pthread_cond_broadcast( targ->treecond ); free( topol[l][0] ); free( topol[l][1] ); free( topol[l] ); pthread_mutex_unlock( targ->mutex ); continue; } m1 = topol[l][0][0]; m2 = topol[l][1][0]; // fprintf( stderr, "\ndistfromtip = %f\n", dep[l].distfromtip ); // makedynamicmtx( dynamicmtx, n_dis_consweight_multi, dep[l].distfromtip - 0.5 ); makedynamicmtx( dynamicmtx, n_dis_consweight_multi, dep[l].distfromtip ); // pthread_mutex_lock( targ->mutex ); len1 = strlen( aseq[m1] ); len2 = strlen( aseq[m2] ); if( *alloclen <= len1 + len2 ) { fprintf( stderr, "\nReallocating (by thread %d) ..", thread_no ); *alloclen = ( len1 + len2 ) + 1000; ReallocateCharMtx( aseq, njob, *alloclen + 10 ); fprintf( stderr, "done. *alloclen = %d\n", *alloclen ); } for( i=0; (j=topol[l][0][i])!=-1; i++ ) { localcopy[j] = calloc( *alloclen, sizeof( char ) ); strcpy( localcopy[j], aseq[j] ); } for( i=0; (j=topol[l][1][i])!=-1; i++ ) { localcopy[j] = calloc( *alloclen, sizeof( char ) ); strcpy( localcopy[j], aseq[j] ); } pthread_mutex_unlock( targ->mutex ); if( effarr_kozo ) { clus1 = fastconjuction_noname_kozo( topol[l][0], localcopy, mseq1, effarr1, effarr, effarr1_kozo, effarr_kozo, indication1 ); clus2 = fastconjuction_noname_kozo( topol[l][1], localcopy, mseq2, effarr2, effarr, effarr2_kozo, effarr_kozo, indication2 ); } else { clus1 = fastconjuction_noname( topol[l][0], localcopy, mseq1, effarr1, effarr, indication1, 0.0 ); clus2 = fastconjuction_noname( topol[l][1], localcopy, mseq2, effarr2, effarr, indication2, 0.0 ); } #if 1 fprintf( stderr, "\rSTEP % 5d /%d (thread %4d) ", l+1, njob-1, thread_no ); #else fprintf( stderr, "STEP %d /%d (thread %d) \n", l+1, njob-1, thread_no ); fprintf( stderr, "group1 = %.66s", indication1 ); if( strlen( indication1 ) > 66 ) fprintf( stderr, "..." ); fprintf( stderr, ", child1 = %d\n", dep[l].child0 ); fprintf( stderr, "group2 = %.66s", indication2 ); if( strlen( indication2 ) > 66 ) fprintf( stderr, "..." ); fprintf( stderr, ", child2 = %d\n", dep[l].child1 ); fprintf( stderr, "Group1's lengths = " ); for( i=0; i<clus1; i++ ) fprintf( stderr, "%d ", strlen( mseq1[i] ) ); fprintf( stderr, "\n" ); fprintf( stderr, "Group2's lengths = " ); for( i=0; i<clus2; i++ ) fprintf( stderr, "%d ", strlen( mseq2[i] ) ); fprintf( stderr, "\n" ); #endif // for( i=0; i<clus1; i++ ) fprintf( stderr, "## STEP%d-eff for mseq1-%d %f\n", l+1, i, effarr1[i] ); if( constraint ) { fastshrinklocalhom( topol[l][0], topol[l][1], localhomtable, localhomshrink ); // msfastshrinklocalhom( topol[l][0], topol[l][1], localhomtable, localhomshrink ); // fprintf( stderr, "localhomshrink =\n" ); // outlocalhompt( localhomshrink, clus1, clus2 ); // weightimportance4( clus1, clus2, effarr1, effarr2, localhomshrink ); // fprintf( stderr, "after weight =\n" ); // outlocalhompt( localhomshrink, clus1, clus2 ); } if( rnakozo && rnaprediction == 'm' ) { makegrouprna( grouprna1, singlerna, topol[l][0] ); makegrouprna( grouprna2, singlerna, topol[l][1] ); } /* fprintf( stderr, "before align all\n" ); display( localcopy, njob ); fprintf( stderr, "\n" ); fprintf( stderr, "before align 1 %s \n", indication1 ); display( mseq1, clus1 ); fprintf( stderr, "\n" ); fprintf( stderr, "before align 2 %s \n", indication2 ); display( mseq2, clus2 ); fprintf( stderr, "\n" ); */ if( !nevermemsave && ( constraint != 2 && alg != 'M' && ( len1 > 30000 || len2 > 30000 ) ) ) { fprintf( stderr, "\nlen1=%d, len2=%d, Switching to the memsave mode.\n", len1, len2 ); alg = 'M'; if( commonIP ) FreeIntMtx( commonIP ); commonIP = NULL; commonAlloc1 = 0; commonAlloc2 = 0; } // if( fftlog[m1] && fftlog[m2] ) ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 ); if( fftlog[m1] && fftlog[m2] ) ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 && clus1 < 1000 && clus2 < 1000 ); else ffttry = 0; // ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 && clus1 < 5000 && clus2 < 5000 ); // v6.708 // fprintf( stderr, "f=%d, len1/fftlog[m1]=%f, clus1=%d, len2/fftlog[m2]=%f, clus2=%d\n", ffttry, (float)len1/fftlog[m1], clus1, (float)len2/fftlog[m2], clus2 ); // fprintf( stderr, "f=%d, clus1=%d, fftlog[m1]=%d, clus2=%d, fftlog[m2]=%d\n", ffttry, clus1, fftlog[m1], clus2, fftlog[m2] ); if( constraint == 2 ) { if( alg == 'M' ) { fprintf( stderr, "\n\nMemory saving mode is not supported.\n\n" ); exit( 1 ); } fprintf( stderr, "c" ); if( alg == 'A' ) { imp_match_init_strict( NULL, clus1, clus2, strlen( mseq1[0] ), strlen( mseq2[0] ), mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); if( rnakozo ) imp_rna( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, NULL, NULL, NULL ); pscore = A__align( dynamicmtx, mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, localhomshrink, &dumfl, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); } else if( alg == 'Q' ) { fprintf( stderr, "Not supported\n" ); exit( 1 ); } } else if( force_fft || ( use_fft && ffttry ) ) { fprintf( stderr, "f" ); if( alg == 'M' ) { fprintf( stderr, "m" ); pscore = Falign_udpari_long( NULL, NULL, dynamicmtx, mseq1, mseq2, effarr1, effarr2, NULL, NULL, clus1, clus2, *alloclen, fftlog+m1 ); } else pscore = Falign( NULL, NULL, dynamicmtx, mseq1, mseq2, effarr1, effarr2, NULL, NULL, clus1, clus2, *alloclen, fftlog+m1, NULL, 0, NULL ); } else { fprintf( stderr, "d" ); fftlog[m1] = 0; switch( alg ) { case( 'a' ): pscore = Aalign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen ); break; case( 'M' ): fprintf( stderr, "m" ); pscore = MSalignmm( dynamicmtx, mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); break; case( 'A' ): pscore = A__align( dynamicmtx, mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); break; default: ErrorExit( "ERROR IN SOURCE FILE" ); } } nlen[m1] = 0.5 * ( nlen[m1] + nlen[m2] ); #if SCOREOUT fprintf( stderr, "score = %10.2f\n", pscore ); #endif /* fprintf( stderr, "after align 1 %s \n", indication1 ); display( mseq1, clus1 ); fprintf( stderr, "\n" ); fprintf( stderr, "after align 2 %s \n", indication2 ); display( mseq2, clus2 ); fprintf( stderr, "\n" ); */ // writePre( njob, name, nlen, localcopy, 0 ); if( disp ) display( localcopy, njob ); pthread_mutex_lock( targ->mutex ); dep[l].done = 1; (*nrunpt)--; pthread_cond_broadcast( targ->treecond ); // pthread_mutex_unlock( targ->mutex ); // pthread_mutex_lock( targ->mutex ); for( i=0; (j=topol[l][0][i])!=-1; i++ ) strcpy( aseq[j], localcopy[j] ); for( i=0; (j=topol[l][1][i])!=-1; i++ ) strcpy( aseq[j], localcopy[j] ); pthread_mutex_unlock( targ->mutex ); for( i=0; (j=topol[l][0][i])!=-1; i++ ) free( localcopy[j] ); for( i=0; (j=topol[l][1][i])!=-1; i++ ) free( localcopy[j] ); free( topol[l][0] ); free( topol[l][1] ); free( topol[l] ); } } #endif void treebase( int *nlen, char **aseq, int nadd, char *mergeoralign, char **mseq1, char **mseq2, int ***topol, Treedep *dep, double *effarr, int *alloclen, LocalHom **localhomtable, RNApair ***singlerna, double *effarr_kozo ) { int i, l, m; int len1nocommongap, len2nocommongap; int len1, len2; int clus1, clus2; float pscore, tscore; static char *indication1, *indication2; static double *effarr1 = NULL; static double *effarr2 = NULL; static double *effarr1_kozo = NULL; static double *effarr2_kozo = NULL; static LocalHom ***localhomshrink = NULL; static int *fftlog; int m1, m2; static int *gaplen; static int *gapmap; static int *alreadyaligned; float dumfl = 0.0; int ffttry; RNApair ***grouprna1 = NULL, ***grouprna2 = NULL; static double **dynamicmtx; if( rnakozo && rnaprediction == 'm' ) { grouprna1 = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); grouprna2 = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); } else { grouprna1 = grouprna2 = NULL; } if( effarr1 == NULL ) { fftlog = AllocateIntVec( njob ); effarr1 = AllocateDoubleVec( njob ); effarr2 = AllocateDoubleVec( njob ); indication1 = AllocateCharVec( 150 ); indication2 = AllocateCharVec( 150 ); gaplen = AllocateIntVec( *alloclen+10 ); gapmap = AllocateIntVec( *alloclen+10 ); alreadyaligned = AllocateIntVec( njob ); dynamicmtx = AllocateDoubleMtx( nalphabets, nalphabets ); #if 0 #else if( constraint ) { localhomshrink = (LocalHom ***)calloc( njob, sizeof( LocalHom ** ) ); for( i=0; i<njob; i++ ) localhomshrink[i] = (LocalHom **)calloc( njob, sizeof( LocalHom *) ); } #endif effarr1_kozo = AllocateDoubleVec( njob ); //tsuneni allocate sareru. effarr2_kozo = AllocateDoubleVec( njob ); //tsuneni allocate sareru. for( i=0; i<njob; i++ ) effarr1_kozo[i] = 0.0; for( i=0; i<njob; i++ ) effarr2_kozo[i] = 0.0; } for( i=0; i<njob-nadd; i++ ) alreadyaligned[i] = 1; for( i=njob-nadd; i<njob; i++ ) alreadyaligned[i] = 0; for( l=0; l<njob; l++ ) fftlog[l] = 1; #if 0 fprintf( stderr, "##### fftwinsize = %d, fftthreshold = %d\n", fftWinSize, fftThreshold ); #endif #if 0 for( i=0; i<njob; i++ ) fprintf( stderr, "TBFAST effarr[%d] = %f\n", i, effarr[i] ); #endif if( constraint ) calcimportance( njob, effarr, aseq, localhomtable ); // dontcalcimportance( njob, effarr, aseq, localhomtable ); // CHUUIII!!!!! // writePre( njob, name, nlen, aseq, 0 ); tscore = 0.0; for( l=0; l<njob-1; l++ ) { // fprintf( stderr, "\ndistfromtip = %f\n", dep[l].distfromtip ); makedynamicmtx( dynamicmtx, n_dis_consweight_multi, dep[l].distfromtip ); // makedynamicmtx( dynamicmtx, n_dis_consweight_multi, ( dep[l].distfromtip - 0.2 ) * 3 ); if( mergeoralign[l] == 'n' ) { // fprintf( stderr, "SKIP!\n" ); free( topol[l][0] ); free( topol[l][1] ); free( topol[l] ); continue; } m1 = topol[l][0][0]; m2 = topol[l][1][0]; len1 = strlen( aseq[m1] ); len2 = strlen( aseq[m2] ); if( *alloclen < len1 + len2 ) { fprintf( stderr, "\nReallocating.." ); *alloclen = ( len1 + len2 ) + 1000; ReallocateCharMtx( aseq, njob, *alloclen + 10 ); gaplen = realloc( gaplen, ( *alloclen + 10 ) * sizeof( int ) ); if( gaplen == NULL ) { fprintf( stderr, "Cannot realloc gaplen\n" ); exit( 1 ); } gapmap = realloc( gapmap, ( *alloclen + 10 ) * sizeof( int ) ); if( gapmap == NULL ) { fprintf( stderr, "Cannot realloc gapmap\n" ); exit( 1 ); } fprintf( stderr, "done. *alloclen = %d\n", *alloclen ); } if( effarr_kozo ) { clus1 = fastconjuction_noname_kozo( topol[l][0], aseq, mseq1, effarr1, effarr, effarr1_kozo, effarr_kozo, indication1 ); clus2 = fastconjuction_noname_kozo( topol[l][1], aseq, mseq2, effarr2, effarr, effarr2_kozo, effarr_kozo, indication2 ); } else { clus1 = fastconjuction_noname( topol[l][0], aseq, mseq1, effarr1, effarr, indication1, 0.0 ); clus2 = fastconjuction_noname( topol[l][1], aseq, mseq2, effarr2, effarr, indication2, 0.0 ); } if( mergeoralign[l] == '1' || mergeoralign[l] == '2' ) // only in serial version { newgapstr = "="; } else newgapstr = "-"; len1nocommongap = len1; len2nocommongap = len2; if( mergeoralign[l] == '1' ) // nai { findcommongaps( clus2, mseq2, gapmap ); commongappick( clus2, mseq2 ); len2nocommongap = strlen( mseq2[0] ); } else if( mergeoralign[l] == '2' ) { findcommongaps( clus1, mseq1, gapmap ); commongappick( clus1, mseq1 ); len1nocommongap = strlen( mseq1[0] ); } fprintf( trap_g, "\nSTEP-%d\n", l ); fprintf( trap_g, "group1 = %s\n", indication1 ); fprintf( trap_g, "group2 = %s\n", indication2 ); #if 1 fprintf( stderr, "\rSTEP % 5d /%d ", l+1, njob-1 ); fflush( stderr ); #else fprintf( stdout, "STEP %d /%d\n", l+1, njob-1 ); fprintf( stderr, "STEP %d /%d\n", l+1, njob-1 ); fprintf( stderr, "group1 = %.66s", indication1 ); if( strlen( indication1 ) > 66 ) fprintf( stderr, "..." ); fprintf( stderr, "\n" ); fprintf( stderr, "group2 = %.66s", indication2 ); if( strlen( indication2 ) > 66 ) fprintf( stderr, "..." ); fprintf( stderr, "\n" ); #endif // for( i=0; i<clus1; i++ ) fprintf( stderr, "## STEP%d-eff for mseq1-%d %f\n", l+1, i, effarr1[i] ); if( constraint ) { fastshrinklocalhom( topol[l][0], topol[l][1], localhomtable, localhomshrink ); // msfastshrinklocalhom( topol[l][0], topol[l][1], localhomtable, localhomshrink ); // fprintf( stderr, "localhomshrink =\n" ); // outlocalhompt( localhomshrink, clus1, clus2 ); // weightimportance4( clus1, clus2, effarr1, effarr2, localhomshrink ); // fprintf( stderr, "after weight =\n" ); // outlocalhompt( localhomshrink, clus1, clus2 ); } if( rnakozo && rnaprediction == 'm' ) { makegrouprna( grouprna1, singlerna, topol[l][0] ); makegrouprna( grouprna2, singlerna, topol[l][1] ); } /* fprintf( stderr, "before align all\n" ); display( aseq, njob ); fprintf( stderr, "\n" ); fprintf( stderr, "before align 1 %s \n", indication1 ); display( mseq1, clus1 ); fprintf( stderr, "\n" ); fprintf( stderr, "before align 2 %s \n", indication2 ); display( mseq2, clus2 ); fprintf( stderr, "\n" ); */ if( !nevermemsave && ( constraint != 2 && alg != 'M' && ( len1 > 30000 || len2 > 30000 ) ) ) { fprintf( stderr, "\nlen1=%d, len2=%d, Switching to the memsave mode.\n", len1, len2 ); alg = 'M'; if( commonIP ) FreeIntMtx( commonIP ); commonIP = NULL; commonAlloc1 = 0; commonAlloc2 = 0; } // if( fftlog[m1] && fftlog[m2] ) ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 ); if( fftlog[m1] && fftlog[m2] ) ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 && clus1 < 1000 && clus2 < 1000 ); else ffttry = 0; // ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 && clus1 < 5000 && clus2 < 5000 ); // v6.708 // fprintf( stderr, "f=%d, len1/fftlog[m1]=%f, clus1=%d, len2/fftlog[m2]=%f, clus2=%d\n", ffttry, (float)len1/fftlog[m1], clus1, (float)len2/fftlog[m2], clus2 ); // fprintf( stderr, "f=%d, clus1=%d, fftlog[m1]=%d, clus2=%d, fftlog[m2]=%d\n", ffttry, clus1, fftlog[m1], clus2, fftlog[m2] ); if( constraint == 2 ) { if( alg == 'M' ) { fprintf( stderr, "\n\nMemory saving mode is not supported.\n\n" ); exit( 1 ); } fprintf( stderr, "c" ); if( alg == 'A' ) { imp_match_init_strict( NULL, clus1, clus2, strlen( mseq1[0] ), strlen( mseq2[0] ), mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); if( rnakozo ) imp_rna( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, NULL, NULL, NULL ); pscore = A__align( dynamicmtx, mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, localhomshrink, &dumfl, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); } else if( alg == 'Q' ) { fprintf( stderr, "Not supported\n" ); exit( 1 ); } } else if( force_fft || ( use_fft && ffttry ) ) { fprintf( stderr, "f" ); if( alg == 'M' ) { fprintf( stderr, "m" ); pscore = Falign_udpari_long( NULL, NULL, dynamicmtx, mseq1, mseq2, effarr1, effarr2, NULL, NULL, clus1, clus2, *alloclen, fftlog+m1 ); } else pscore = Falign( NULL, NULL, dynamicmtx, mseq1, mseq2, effarr1, effarr2, NULL, NULL, clus1, clus2, *alloclen, fftlog+m1, NULL, 0, NULL ); } else { fprintf( stderr, "d" ); fftlog[m1] = 0; switch( alg ) { case( 'a' ): pscore = Aalign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen ); break; case( 'M' ): fprintf( stderr, "m" ); pscore = MSalignmm( dynamicmtx, mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); break; case( 'A' ): pscore = A__align( dynamicmtx, mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); break; default: ErrorExit( "ERROR IN SOURCE FILE" ); } } nlen[m1] = 0.5 * ( nlen[m1] + nlen[m2] ); #if SCOREOUT fprintf( stderr, "score = %10.2f\n", pscore ); #endif tscore += pscore; /* fprintf( stderr, "after align 1 %s \n", indication1 ); display( mseq1, clus1 ); fprintf( stderr, "\n" ); fprintf( stderr, "after align 2 %s \n", indication2 ); display( mseq2, clus2 ); fprintf( stderr, "\n" ); */ // writePre( njob, name, nlen, aseq, 0 ); if( disp ) display( aseq, njob ); if( mergeoralign[l] == '1' ) // jissainiha nai. atarashii hairetsu ha saigo dakara. { adjustgapmap( strlen( mseq2[0] )-len2nocommongap+len2, gapmap, mseq2[0] ); restorecommongaps( njob, aseq, topol[l][0], topol[l][1], gapmap, *alloclen, '-' ); findnewgaps( clus2, 0, mseq2, gaplen ); insertnewgaps( njob, alreadyaligned, aseq, topol[l][1], topol[l][0], gaplen, gapmap, *alloclen, alg, '-' ); for( i=0; i<njob; i++ ) eq2dash( aseq[i] ); for( i=0; (m=topol[l][0][i])>-1; i++ ) alreadyaligned[m] = 1; } if( mergeoralign[l] == '2' ) { // fprintf( stderr, ">mseq1[0] = \n%s\n", mseq1[0] ); // fprintf( stderr, ">mseq2[0] = \n%s\n", mseq2[0] ); adjustgapmap( strlen( mseq1[0] )-len1nocommongap+len1, gapmap, mseq1[0] ); restorecommongaps( njob, aseq, topol[l][0], topol[l][1], gapmap, *alloclen, '-' ); findnewgaps( clus1, 0, mseq1, gaplen ); insertnewgaps( njob, alreadyaligned, aseq, topol[l][0], topol[l][1], gaplen, gapmap, *alloclen, alg, '-' ); #if 0 for( i=0; i<njob; i++ ) eq2dash( aseq[i] ); for( i=0; i<clus1; i++ ) eq2dash( mseq1[i] ); for( i=0; i<clus2; i++ ) eq2dash( mseq2[i] ); #else eq2dashmatometehayaku( mseq1, clus1 ); eq2dashmatometehayaku( mseq2, clus2 ); #endif for( i=0; (m=topol[l][1][i])>-1; i++ ) alreadyaligned[m] = 1; } free( topol[l][0] ); free( topol[l][1] ); free( topol[l] ); } #if SCOREOUT fprintf( stderr, "totalscore = %10.2f\n\n", tscore ); #endif if( rnakozo && rnaprediction == 'm' ) { if( grouprna1 ) free( grouprna1 ); // nakami ha? if( grouprna2 ) free( grouprna2 ); // nakami ha? grouprna1 = grouprna2 = NULL; } if( constraint ) { if( localhomshrink ) // nen no tame { for( i=0; i<njob; i++ ) { free( localhomshrink[i] ); localhomshrink[i] = NULL; } free( localhomshrink ); localhomshrink = NULL; } } } static void WriteOptions( FILE *fp ) { if( dorp == 'd' ) fprintf( fp, "DNA\n" ); else { if ( scoremtx == 0 ) fprintf( fp, "JTT %dPAM\n", pamN ); else if( scoremtx == 1 ) fprintf( fp, "BLOSUM %d\n", nblosum ); else if( scoremtx == 2 ) fprintf( fp, "M-Y\n" ); } fprintf( stderr, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); if( use_fft ) fprintf( fp, "FFT on\n" ); fprintf( fp, "tree-base method\n" ); if( tbrweight == 0 ) fprintf( fp, "unweighted\n" ); else if( tbrweight == 3 ) fprintf( fp, "clustalw-like weighting\n" ); if( tbitr || tbweight ) { fprintf( fp, "iterate at each step\n" ); if( tbitr && tbrweight == 0 ) fprintf( fp, " unweighted\n" ); if( tbitr && tbrweight == 3 ) fprintf( fp, " reversely weighted\n" ); if( tbweight ) fprintf( fp, " weighted\n" ); fprintf( fp, "\n" ); } fprintf( fp, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); if( alg == 'a' ) fprintf( fp, "Algorithm A\n" ); else if( alg == 'A' ) fprintf( fp, "Algorithm A+\n" ); else if( alg == 'C' ) fprintf( fp, "Apgorithm A+/C\n" ); else fprintf( fp, "Unknown algorithm\n" ); if( treemethod == 'X' ) fprintf( fp, "Tree = UPGMA (mix).\n" ); else if( treemethod == 'E' ) fprintf( fp, "Tree = UPGMA (average).\n" ); else if( treemethod == 'q' ) fprintf( fp, "Tree = Minimum linkage.\n" ); else fprintf( fp, "Unknown tree.\n" ); if( use_fft ) { fprintf( fp, "FFT on\n" ); if( dorp == 'd' ) fprintf( fp, "Basis : 4 nucleotides\n" ); else { if( fftscore ) fprintf( fp, "Basis : Polarity and Volume\n" ); else fprintf( fp, "Basis : 20 amino acids\n" ); } fprintf( fp, "Threshold of anchors = %d%%\n", fftThreshold ); fprintf( fp, "window size of anchors = %dsites\n", fftWinSize ); } else fprintf( fp, "FFT off\n" ); fflush( fp ); } int main( int argc, char *argv[] ) { static int *nlen; static float *selfscore; int nogaplen; static char **name, **seq; static char **mseq1, **mseq2; static char **bseq; static float **iscore, **iscore_kozo; int **skiptable; static double *eff, *eff_kozo, *eff_kozo_mapped = NULL; int i, j, ien, ik, jk; static int ***topol, ***topol_kozo; static int *addmem; static Treedep *dep; static float **len, **len_kozo; FILE *prep; FILE *infp; FILE *orderfp; FILE *hat2p; double unweightedspscore; int alignmentlength; char *mergeoralign; int foundthebranch; int nsubalignments, maxmem; int **subtable; int *insubtable; int *preservegaps; char ***subalnpt; char c; int alloclen; LocalHom **localhomtable = NULL; RNApair ***singlerna = NULL; float ssi, ssj, bunbo; static char *kozoarivec; int nkozo; arguments( argc, argv ); #ifndef enablemultithread nthread = 0; #endif if( fastathreshold < 0.0001 ) constraint = 0; if( inputfile ) { infp = fopen( inputfile, "r" ); if( !infp ) { fprintf( stderr, "Cannot open %s\n", inputfile ); exit( 1 ); } } else infp = stdin; getnumlen( infp ); rewind( infp ); nkozo = 0; if( njob < 2 ) { fprintf( stderr, "At least 2 sequences should be input!\n" "Only %d sequence found.\n", njob ); exit( 1 ); } if( subalignment ) { readsubalignmentstable( njob, NULL, NULL, &nsubalignments, &maxmem ); fprintf( stderr, "nsubalignments = %d\n", nsubalignments ); fprintf( stderr, "maxmem = %d\n", maxmem ); subtable = AllocateIntMtx( nsubalignments, maxmem+1 ); insubtable = AllocateIntVec( njob ); for( i=0; i<njob; i++ ) insubtable[i] = 0; preservegaps = AllocateIntVec( njob ); for( i=0; i<njob; i++ ) preservegaps[i] = 0; subalnpt = AllocateCharCub( nsubalignments, maxmem, 0 ); readsubalignmentstable( njob, subtable, preservegaps, NULL, NULL ); } seq = AllocateCharMtx( njob, nlenmax+1 ); mseq1 = AllocateCharMtx( njob, 0 ); mseq2 = AllocateCharMtx( njob, 0 ); name = AllocateCharMtx( njob, B+1 ); nlen = AllocateIntVec( njob ); selfscore = AllocateFloatVec( njob ); topol = AllocateIntCub( njob, 2, 0 ); len = AllocateFloatMtx( njob, 2 ); iscore = AllocateFloatHalfMtx( njob ); eff = AllocateDoubleVec( njob ); kozoarivec = AllocateCharVec( njob ); mergeoralign = AllocateCharVec( njob ); dep = (Treedep *)calloc( njob, sizeof( Treedep ) ); if( nadd ) addmem = AllocateIntVec( nadd+1 ); if( constraint ) { localhomtable = (LocalHom **)calloc( njob, sizeof( LocalHom *) ); for( i=0; i<njob; i++ ) { localhomtable[i] = (LocalHom *)calloc( njob, sizeof( LocalHom ) ); for( j=0; j<njob; j++ ) { localhomtable[i][j].start1 = -1; localhomtable[i][j].end1 = -1; localhomtable[i][j].start2 = -1; localhomtable[i][j].end2 = -1; localhomtable[i][j].overlapaa = -1.0; localhomtable[i][j].opt = -1.0; localhomtable[i][j].importance = -1.0; localhomtable[i][j].next = NULL; localhomtable[i][j].korh = 'h'; } } fprintf( stderr, "Loading 'hat3' ... " ); prep = fopen( "hat3", "r" ); if( prep == NULL ) ErrorExit( "Make hat3." ); readlocalhomtable( prep, njob, localhomtable, kozoarivec ); fclose( prep ); fprintf( stderr, "\ndone.\n" ); nkozo = 0; for( i=0; i<njob; i++ ) { // fprintf( stderr, "kozoarivec[%d] = %d\n", i, kozoarivec[i] ); if( kozoarivec[i] ) nkozo++; } if( nkozo ) { topol_kozo = AllocateIntCub( nkozo, 2, 0 ); len_kozo = AllocateFloatMtx( nkozo, 2 ); iscore_kozo = AllocateFloatHalfMtx( nkozo ); eff_kozo = AllocateDoubleVec( nkozo ); eff_kozo_mapped = AllocateDoubleVec( njob ); } // outlocalhom( localhomtable, njob ); #if 0 fprintf( stderr, "Extending localhom ... " ); extendlocalhom2( njob, localhomtable ); fprintf( stderr, "done.\n" ); #endif } #if 0 readData( infp, name, nlen, seq ); #else readData_pointer( infp, name, nlen, seq ); fclose( infp ); #endif constants( njob, seq ); #if 0 fprintf( stderr, "params = %d, %d, %d\n", penalty, penalty_ex, offset ); #endif initSignalSM(); initFiles(); WriteOptions( trap_g ); c = seqcheck( seq ); if( c ) { fprintf( stderr, "Illegal character %c\n", c ); exit( 1 ); } // writePre( njob, name, nlen, seq, 0 ); if( treein ) { #if 0 if( nkozo ) { fprintf( stderr, "Both structure and user tree have been given. Not yet supported!\n" ); exit( 1 ); } #endif fprintf( stderr, "Loading a tree ... " ); loadtree( njob, topol, len, name, nlen, dep ); // loadtop( njob, topol, len, name, NULL, dep ); // 2015/Jan/13, not yet checked fprintf( stderr, "\ndone.\n\n" ); } else { if( tbutree == 0 ) { for( i=1; i<njob; i++ ) { if( nlen[i] != nlen[0] ) { fprintf( stderr, "Input pre-aligned seqences or make hat2.\n" ); exit( 1 ); } } fprintf( stderr, "Making a distance matrix .. (Should not be used in versions >7.2) \n" ); fflush( stderr ); skiptable = AllocateIntMtx( njob, 0 ); makeskiptable( njob, skiptable, seq ); // allocate suru. ien = njob-1; for( i=0; i<njob; i++ ) { // selfscore[i] = naivepairscore11( seq[i], seq[i], penalty_dist ); selfscore[i] = naivepairscorefast( seq[i], seq[i], skiptable[i], skiptable[i], penalty_dist ); // fprintf( stderr, "penalty = %d\n", penalty ); // fprintf( stderr, "penalty_dist = %d\n", penalty_dist ); } #ifdef enablemultithread if( nthread > 0 ) { distancematrixthread_arg_t *targ; Jobtable jobpos; pthread_t *handle; pthread_mutex_t mutex; jobpos.i = 0; jobpos.j = 0; targ = calloc( nthread, sizeof( distancematrixthread_arg_t ) ); handle = calloc( nthread, sizeof( pthread_t ) ); pthread_mutex_init( &mutex, NULL ); for( i=0; i<nthread; i++ ) { targ[i].thread_no = i; targ[i].njob = njob; targ[i].selfscore = selfscore; targ[i].iscore = iscore; targ[i].seq = seq; targ[i].skiptable = skiptable; targ[i].jobpospt = &jobpos; targ[i].mutex = &mutex; pthread_create( handle+i, NULL, distancematrixthread, (void *)(targ+i) ); } for( i=0; i<nthread; i++ ) { pthread_join( handle[i], NULL ); } pthread_mutex_destroy( &mutex ); free( handle ); free( targ ); } else #endif { for( i=0; i<ien; i++ ) { if( i % 10 == 0 ) { fprintf( stderr, "\r% 5d / %d", i, ien ); fflush( stderr ); } ssi = selfscore[i]; for( j=i+1; j<njob; j++ ) { ssj = selfscore[j]; bunbo = MIN( ssi, ssj ); if( bunbo == 0.0 ) iscore[i][j-i] = 2.0; // 2013/Oct/17 2bai else // iscore[i][j-i] = 1.0 - naivepairscore11( seq[i], seq[j], penalty_dist ) / MIN( selfscore[i], selfscore[j] ); // iscore[i][j-i] = ( 1.0 - naivepairscore11( seq[i], seq[j], penalty_dist ) / bunbo ) * 2.0; // 2013/Oct/17 2bai iscore[i][j-i] = ( 1.0 - naivepairscorefast( seq[i], seq[j], skiptable[i], skiptable[j], penalty_dist ) / bunbo ) * 2.0; // 2014/Aug/15 fast if( iscore[i][j-i] > 10 ) iscore[i][j-i] = 10.0; // 2015/Mar/17 //exit( 1 ); #if 0 fprintf( stderr, "### ssj = %f\n", ssj ); fprintf( stderr, "### selfscore[i] = %f\n", selfscore[i] ); fprintf( stderr, "### selfscore[j] = %f\n", selfscore[j] ); fprintf( stderr, "### rawscore = %f\n", naivepairscore11( seq[i], seq[j], penalty_dist ) ); #endif } } } fprintf( stderr, "\ndone.\n\n" ); FreeIntMtx( skiptable ); fflush( stderr ); } else { if( multidist ) { fprintf( stderr, "Loading 'hat2n' (aligned sequences - new sequences) ... " ); prep = fopen( "hat2n", "r" ); if( prep == NULL ) ErrorExit( "Make hat2." ); readhat2_floathalf_pointer( prep, njob, name, iscore ); fclose( prep ); fprintf( stderr, "done.\n" ); fprintf( stderr, "Loading 'hat2i' (aligned sequences) ... " ); prep = fopen( "hat2i", "r" ); if( prep == NULL ) ErrorExit( "Make hat2i." ); readhat2_floathalf_pointer( prep, njob-nadd, name, iscore ); fclose( prep ); fprintf( stderr, "done.\n" ); } else { fprintf( stderr, "Loading 'hat2' ... " ); prep = fopen( "hat2", "r" ); if( prep == NULL ) ErrorExit( "Make hat2." ); readhat2_floathalf_pointer( prep, njob, name, iscore ); fclose( prep ); fprintf( stderr, "done.\n" ); } } #if 1 if( distout ) { hat2p = fopen( "hat2", "w" ); WriteFloatHat2_pointer_halfmtx( hat2p, njob, name, iscore ); fclose( hat2p ); } #endif if( nkozo ) { ien = njob-1; ik = 0; for( i=0; i<ien; i++ ) { jk = ik+1; for( j=i+1; j<njob; j++ ) { if( kozoarivec[i] && kozoarivec[j] ) { iscore_kozo[ik][jk-ik] = iscore[i][j-i]; } if( kozoarivec[j] ) jk++; } if( kozoarivec[i] ) ik++; } } fprintf( stderr, "Constructing a UPGMA tree ... " ); fflush( stderr ); if( topin ) { fprintf( stderr, "--topin has been disabled\n" ); exit( 1 ); // fprintf( stderr, "Loading a topology ... " ); // loadtop( njob, iscore, topol, len ); // fprintf( stderr, "\ndone.\n\n" ); } else if( subalignment ) // merge error no tame { fixed_supg_float_realloc_nobk_halfmtx_treeout_constrained( njob, iscore, topol, len, name, nlen, dep, nsubalignments, subtable, 1 ); } else if( treeout ) // merge error no tame { fixed_musclesupg_float_realloc_nobk_halfmtx_treeout( njob, iscore, topol, len, name, nlen, dep, 1 ); } else { fixed_musclesupg_float_realloc_nobk_halfmtx( njob, iscore, topol, len, dep, 1, 1 ); } // else // ErrorExit( "Incorrect tree\n" ); if( nkozo ) { // for( i=0; i<nkozo-1; i++ ) // for( j=i+1; j<nkozo; j++ ) // fprintf( stderr, "iscore_kozo[%d][%d] =~ %f\n", i, j, iscore_kozo[i][j-i] ); fixed_musclesupg_float_realloc_nobk_halfmtx( nkozo, iscore_kozo, topol_kozo, len_kozo, NULL, 1, 1 ); } fprintf( stderr, "\ndone.\n\n" ); fflush( stderr ); } orderfp = fopen( "order", "w" ); if( !orderfp ) { fprintf( stderr, "Cannot open 'order'\n" ); exit( 1 ); } for( i=0; (j=topol[njob-2][0][i])!=-1; i++ ) { fprintf( orderfp, "%d\n", j ); } for( i=0; (j=topol[njob-2][1][i])!=-1; i++ ) { fprintf( orderfp, "%d\n", j ); } fclose( orderfp ); if( treeout && noalign ) { writeData_pointer( prep_g, njob, name, nlen, seq ); fprintf( stderr, "\n" ); SHOWVERSION; return( 0 ); } // countnode( njob, topol, node0 ); if( tbrweight ) { weight = 3; #if 0 utree = 0; counteff( njob, topol, len, eff ); utree = 1; #else counteff_simple_float_nostatic( njob, topol, len, eff ); for( i=njob-nadd; i<njob; i++ ) eff[i] /= (double)100; #if 0 fprintf( stderr, "###### WEIGHT = \n" ); for( i=0; i<njob; i++ ) { fprintf( stderr, "w[%d] = %f\n", i, eff[i] ); } exit( 1 ); #endif if( nkozo ) { // counteff_simple_float( nkozo, topol_kozo, len_kozo, eff_kozo ); // single weight nanode iranai for( i=0,j=0; i<njob; i++ ) { if( kozoarivec[i] ) { // eff_kozo_mapped[i] = eff_kozo[j]; // eff_kozo_mapped[i] = eff[i]; // single weight j++; } else eff_kozo_mapped[i] = 0.0; // fprintf( stderr, "eff_kozo_mapped[%d] = %f\n", i, eff_kozo_mapped[i] ); // fprintf( stderr, " eff[%d] = %f\n", i, eff[i] ); } } #endif } else { for( i=0; i<njob; i++ ) eff[i] = 1.0; if( nkozo ) { for( i=0; i<njob; i++ ) { if( kozoarivec[i] ) eff_kozo_mapped[i] = 1.0; else eff_kozo_mapped[i] = 0.0; } } } FreeFloatHalfMtx( iscore, njob ); FreeFloatMtx( len ); alloclen = nlenmax*2+1; //chuui! bseq = AllocateCharMtx( njob, alloclen ); if( nadd ) { alignmentlength = strlen( seq[0] ); for( i=0; i<njob-nadd; i++ ) { if( alignmentlength != strlen( seq[i] ) ) { fprintf( stderr, "#################################################################################\n" ); fprintf( stderr, "# ERROR! #\n" ); fprintf( stderr, "# The original%4d sequences must be aligned #\n", njob-nadd ); fprintf( stderr, "#################################################################################\n" ); exit( 1 ); } } if( addprofile ) { alignmentlength = strlen( seq[njob-nadd] ); for( i=njob-nadd; i<njob; i++ ) { if( alignmentlength != strlen( seq[i] ) ) { fprintf( stderr, "###############################################################################\n" ); fprintf( stderr, "# ERROR! #\n" ); fprintf( stderr, "# The%4d additional sequences must be aligned #\n", nadd ); fprintf( stderr, "# Otherwise, try the '--add' option, instead of '--addprofile' option. #\n" ); fprintf( stderr, "###############################################################################\n" ); exit( 1 ); } } for( i=0; i<nadd; i++ ) addmem[i] = njob-nadd+i; addmem[nadd] = -1; foundthebranch = 0; for( i=0; i<njob-1; i++ ) { if( samemember( topol[i][0], addmem ) ) // jissainiha nai { mergeoralign[i] = '1'; foundthebranch = 1; } else if( samemember( topol[i][1], addmem ) ) // samemembern ni henkou kanou { mergeoralign[i] = '2'; foundthebranch = 1; } else { mergeoralign[i] = 'n'; } } if( !foundthebranch ) { fprintf( stderr, "###############################################################################\n" ); fprintf( stderr, "# ERROR! #\n" ); fprintf( stderr, "# There is no appropriate position to add the%4d sequences in the guide tree.#\n", nadd ); fprintf( stderr, "# Check whether the%4d sequences form a monophyletic cluster. #\n", nadd ); fprintf( stderr, "# If not, try the '--add' option, instead of the '--addprofile' option. #\n" ); fprintf( stderr, "############################################################################### \n" ); exit( 1 ); } commongappick( nadd, seq+njob-nadd ); for( i=njob-nadd; i<njob; i++ ) strcpy( bseq[i], seq[i] ); } else { for( i=0; i<njob-1; i++ ) mergeoralign[i] = 'n'; for( j=njob-nadd; j<njob; j++ ) { addmem[0] = j; addmem[1] = -1; for( i=0; i<njob-1; i++ ) { if( samemembern( topol[i][0], addmem, 1 ) ) // arieru { // fprintf( stderr, "HIT!\n" ); if( mergeoralign[i] != 'n' ) mergeoralign[i] = 'w'; else mergeoralign[i] = '1'; } else if( samemembern( topol[i][1], addmem, 1 ) ) { // fprintf( stderr, "HIT!\n" ); if( mergeoralign[i] != 'n' ) mergeoralign[i] = 'w'; else mergeoralign[i] = '2'; } } } for( i=0; i<nadd; i++ ) addmem[i] = njob-nadd+i; addmem[nadd] = -1; for( i=0; i<njob-1; i++ ) { if( includemember( topol[i][0], addmem ) && includemember( topol[i][1], addmem ) ) { mergeoralign[i] = 'w'; } else if( includemember( topol[i][0], addmem ) ) { mergeoralign[i] = '1'; } else if( includemember( topol[i][1], addmem ) ) { mergeoralign[i] = '2'; } } #if 0 for( i=0; i<njob-1; i++ ) { fprintf( stderr, "mem0 = " ); for( j=0; topol[i][0][j]>-1; j++ ) fprintf( stderr, "%d ", topol[i][0][j] ); fprintf( stderr, "\n" ); fprintf( stderr, "mem1 = " ); for( j=0; topol[i][1][j]>-1; j++ ) fprintf( stderr, "%d ", topol[i][1][j] ); fprintf( stderr, "\n" ); fprintf( stderr, "i=%d, mergeoralign[] = %c\n", i, mergeoralign[i] ); } #endif for( i=njob-nadd; i<njob; i++ ) gappick0( bseq[i], seq[i] ); } commongappick( njob-nadd, seq ); for( i=0; i<njob-nadd; i++ ) strcpy( bseq[i], seq[i] ); } //--------------- kokokara ---- else if( subalignment ) { for( i=0; i<njob-1; i++ ) mergeoralign[i] = 'a'; for( i=0; i<nsubalignments; i++ ) { fprintf( stderr, "Checking subalignment %d:\n", i+1 ); alignmentlength = strlen( seq[subtable[i][0]] ); // for( j=0; subtable[i][j]!=-1; j++ ) // fprintf( stderr, " %d. %-30.30s\n", subtable[i][j]+1, name[subtable[i][j]]+1 ); for( j=0; subtable[i][j]!=-1; j++ ) { if( subtable[i][j] >= njob ) { fprintf( stderr, "No such sequence, %d.\n", subtable[i][j]+1 ); exit( 1 ); } if( alignmentlength != strlen( seq[subtable[i][j]] ) ) { fprintf( stderr, "\n" ); fprintf( stderr, "###############################################################################\n" ); fprintf( stderr, "# ERROR!\n" ); fprintf( stderr, "# Subalignment %d must be aligned.\n", i+1 ); fprintf( stderr, "# Please check the alignment lengths of following sequences.\n" ); fprintf( stderr, "#\n" ); fprintf( stderr, "# %d. %-10.10s -> %d letters (including gaps)\n", subtable[i][0]+1, name[subtable[i][0]]+1, alignmentlength ); fprintf( stderr, "# %d. %-10.10s -> %d letters (including gaps)\n", subtable[i][j]+1, name[subtable[i][j]]+1, (int)strlen( seq[subtable[i][j]] ) ); fprintf( stderr, "#\n" ); fprintf( stderr, "# See http://mafft.cbrc.jp/alignment/software/merge.html for details.\n" ); if( subalignmentoffset ) { fprintf( stderr, "#\n" ); fprintf( stderr, "# You specified seed alignment(s) consisting of %d sequences.\n", subalignmentoffset ); fprintf( stderr, "# In this case, the rule of numbering is:\n" ); fprintf( stderr, "# The aligned seed sequences are numbered as 1 .. %d\n", subalignmentoffset ); fprintf( stderr, "# The input sequences to be aligned are numbered as %d .. %d\n", subalignmentoffset+1, subalignmentoffset+njob ); } fprintf( stderr, "###############################################################################\n" ); fprintf( stderr, "\n" ); exit( 1 ); } insubtable[subtable[i][j]] = 1; } for( j=0; j<njob-1; j++ ) { if( includemember( topol[j][0], subtable[i] ) && includemember( topol[j][1], subtable[i] ) ) { mergeoralign[j] = 'n'; } } foundthebranch = 0; for( j=0; j<njob-1; j++ ) { if( samemember( topol[j][0], subtable[i] ) || samemember( topol[j][1], subtable[i] ) ) { foundthebranch = 1; fprintf( stderr, " -> OK\n" ); break; } } if( !foundthebranch ) { system( "cp infile.tree GuideTree" ); // tekitou fprintf( stderr, "\n" ); fprintf( stderr, "###############################################################################\n" ); fprintf( stderr, "# ERROR!\n" ); fprintf( stderr, "# Subalignment %d does not form a monophyletic cluster\n", i+1 ); fprintf( stderr, "# in the guide tree ('GuideTree' in this directory) internally computed.\n" ); fprintf( stderr, "# If you really want to use this subalignment, pelase give a tree with --treein \n" ); fprintf( stderr, "# http://mafft.cbrc.jp/alignment/software/treein.html\n" ); fprintf( stderr, "# http://mafft.cbrc.jp/alignment/software/merge.html\n" ); if( subalignmentoffset ) { fprintf( stderr, "#\n" ); fprintf( stderr, "# You specified seed alignment(s) consisting of %d sequences.\n", subalignmentoffset ); fprintf( stderr, "# In this case, the rule of numbering is:\n" ); fprintf( stderr, "# The aligned seed sequences are numbered as 1 .. %d\n", subalignmentoffset ); fprintf( stderr, "# The input sequences to be aligned are numbered as %d .. %d\n", subalignmentoffset+1, subalignmentoffset+njob ); } fprintf( stderr, "############################################################################### \n" ); fprintf( stderr, "\n" ); exit( 1 ); } // commongappick( seq[subtable[i]], subalignment[i] ); // irukamo } #if 0 for( i=0; i<njob-1; i++ ) { fprintf( stderr, "STEP %d\n", i+1 ); fprintf( stderr, "group1 = " ); for( j=0; topol[i][0][j] != -1; j++ ) fprintf( stderr, "%d ", topol[i][0][j]+1 ); fprintf( stderr, "\n" ); fprintf( stderr, "group2 = " ); for( j=0; topol[i][1][j] != -1; j++ ) fprintf( stderr, "%d ", topol[i][1][j]+1 ); fprintf( stderr, "\n" ); fprintf( stderr, "%d -> %c\n\n", i, mergeoralign[i] ); } #endif for( i=0; i<njob; i++ ) { if( insubtable[i] ) strcpy( bseq[i], seq[i] ); else gappick0( bseq[i], seq[i] ); } for( i=0; i<nsubalignments; i++ ) { for( j=0; subtable[i][j]!=-1; j++ ) subalnpt[i][j] = bseq[subtable[i][j]]; if( !preservegaps[i] ) commongappick( j, subalnpt[i] ); } FreeIntMtx( subtable ); free( insubtable ); for( i=0; i<nsubalignments; i++ ) free( subalnpt[i] ); free( subalnpt ); free( preservegaps ); } //--------------- kokomade ---- else { for( i=0; i<njob; i++ ) gappick0( bseq[i], seq[i] ); for( i=0; i<njob-1; i++ ) mergeoralign[i] = 'a'; } if( rnakozo && rnaprediction == 'm' ) { singlerna = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); prep = fopen( "hat4", "r" ); if( prep == NULL ) ErrorExit( "Make hat4 using mccaskill." ); fprintf( stderr, "Loading 'hat4' ... " ); for( i=0; i<njob; i++ ) { nogaplen = strlen( bseq[i] ); singlerna[i] = (RNApair **)calloc( nogaplen+1, sizeof( RNApair * ) ); for( j=0; j<nogaplen; j++ ) { singlerna[i][j] = (RNApair *)calloc( 1, sizeof( RNApair ) ); singlerna[i][j][0].bestpos = -1; singlerna[i][j][0].bestscore = -1.0; } singlerna[i][nogaplen] = NULL; // fprintf( stderr, "### reading bpp %d ...\n", i ); readmccaskill( prep, singlerna[i], nogaplen ); } fclose( prep ); fprintf( stderr, "\ndone.\n" ); } else singlerna = NULL; fprintf( stderr, "Progressive alignment ... \n" ); #ifdef enablemultithread if( nthread > 0 && nadd == 0 ) { treebasethread_arg_t *targ; int jobpos; pthread_t *handle; pthread_mutex_t mutex; pthread_cond_t treecond; int *fftlog; int nrun; int nthread_yoyu; nthread_yoyu = nthread * 1; nrun = 0; jobpos = 0; targ = calloc( nthread_yoyu, sizeof( treebasethread_arg_t ) ); fftlog = AllocateIntVec( njob ); handle = calloc( nthread_yoyu, sizeof( pthread_t ) ); pthread_mutex_init( &mutex, NULL ); pthread_cond_init( &treecond, NULL ); for( i=0; i<njob; i++ ) dep[i].done = 0; for( i=0; i<njob; i++ ) fftlog[i] = 1; if( constraint ) calcimportance( njob, eff, bseq, localhomtable ); // dontcalcimportance( njob, eff, bseq, localhomtable ); // CHUUUUIIII!!! for( i=0; i<nthread_yoyu; i++ ) { targ[i].thread_no = i; targ[i].nrunpt = &nrun; targ[i].njob = njob; targ[i].nlen = nlen; targ[i].jobpospt = &jobpos; targ[i].topol = topol; targ[i].dep = dep; targ[i].aseq = bseq; targ[i].effarr = eff; targ[i].alloclenpt = &alloclen; targ[i].localhomtable = localhomtable; targ[i].singlerna = singlerna; targ[i].effarr_kozo = eff_kozo_mapped; targ[i].fftlog = fftlog; targ[i].mergeoralign = mergeoralign; targ[i].mutex = &mutex; targ[i].treecond = &treecond; pthread_create( handle+i, NULL, treebasethread, (void *)(targ+i) ); } for( i=0; i<nthread_yoyu; i++ ) { pthread_join( handle[i], NULL ); } pthread_mutex_destroy( &mutex ); pthread_cond_destroy( &treecond ); free( handle ); free( targ ); free( fftlog ); } else #endif treebase( nlen, bseq, nadd, mergeoralign, mseq1, mseq2, topol, dep, eff, &alloclen, localhomtable, singlerna, eff_kozo_mapped ); fprintf( stderr, "\ndone.\n" ); if( scoreout ) { unweightedspscore = plainscore( njob, bseq ); fprintf( stderr, "\nSCORE %s = %.0f, ", "(treebase)", unweightedspscore ); fprintf( stderr, "SCORE / residue = %f", unweightedspscore / ( njob * strlen( bseq[0] ) ) ); fprintf( stderr, "\n\n" ); } #if 0 if( constraint ) { LocalHom *tmppt1, *tmppt2; for( i=0; i<njob; i++ ) { for( j=0; j<njob; j++ ) { tmppt1 = localhomtable[i]+j; while( tmppt2 = tmppt1->next ) { free( (void *)tmppt1 ); tmppt1 = tmppt2; } free( (void *)tmppt1 ); } free( (void *)(localhomtable[i]+j) ); } free( (void *)localhomtable ); } #endif fprintf( trap_g, "done.\n" ); fclose( trap_g ); free( mergeoralign ); if( rnakozo && rnaprediction == 'm' ) { if( singlerna ) // nen no tame { for( i=0; i<njob; i++ ) { for( j=0; singlerna[i][j]!=NULL; j++ ) { if( singlerna[i][j] ) free( singlerna[i][j] ); } if( singlerna[i] ) free( singlerna[i] ); } free( singlerna ); singlerna = NULL; } } writeData_pointer( prep_g, njob, name, nlen, bseq ); #if 0 writeData( stdout, njob, name, nlen, bseq ); writePre( njob, name, nlen, bseq, !contin ); writeData_pointer( prep_g, njob, name, nlen, aseq ); #endif #if IODEBUG fprintf( stderr, "OSHIMAI\n" ); #endif if( constraint ) FreeLocalHomTable( localhomtable, njob ); if( spscoreout ) reporterr( "Unweighted sum-of-pairs score = %10.5f\n", sumofpairsscore( njob, bseq ) ); SHOWVERSION; return( 0 ); }