new mafft v 6.857 with extensions
[jabaws.git] / binaries / src / mafft / core / getlag.c
diff --git a/binaries/src/mafft/core/getlag.c b/binaries/src/mafft/core/getlag.c
new file mode 100644 (file)
index 0000000..d37c2d8
--- /dev/null
@@ -0,0 +1,461 @@
+#include "mltaln.h"
+
+#define DEBUG 0
+#define IODEBUG 0
+
+void arguments( int argc, char *argv[] )
+{
+    int c;
+
+       calledByXced = 0;
+       devide = 0;
+       use_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 = 'C';
+    mix = 0;
+       tbitr = 0;
+       scmtd = 5;
+       tbweight = 0;
+       tbrweight = 3;
+       checkC = 0;
+       treemethod = 'x';
+       contin = 0;
+       ppenalty = NOTSPECIFIED;
+       ppenalty_ex = NOTSPECIFIED;
+       poffset = NOTSPECIFIED;
+       kimuraR = NOTSPECIFIED;
+       pamN = NOTSPECIFIED;
+       geta2 = GETA2;
+       scoremtx = NOTSPECIFIED;
+
+    while( --argc > 0 && (*++argv)[0] == '-' )
+       {
+        while ( (c = *++argv[0]) )
+               {
+            switch( c )
+            {
+                               case 'f':
+                                       ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 );
+                                       fprintf( stderr, "ppenalty = %d\n", ppenalty );
+                                       --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 'D':
+                                       scoremtx = -1;
+                                       break;
+                               case 'P':
+                                       scoremtx = 0;
+                                       break;
+                               case 'i':
+                                       contin = 1;
+                                       break;
+                               case 'e':
+                                       fftscore = 0;
+                                       break;
+                               case 'O':
+                                       fftNoAnchStop = 1;
+                                       break;
+                               case 'R':
+                                       fftRepeatStop = 1;
+                                       break;
+                               case 'Q':
+                                       calledByXced = 1;
+                                       break;
+                               case 's':
+                                       treemethod = 's';
+                                       break;
+                               case 'x':
+                                       treemethod = 'x';
+                                       break;
+                               case 'p':
+                                       treemethod = 'p';
+                                       break;
+                               case 'a':
+                                       alg = 'a';
+                                       break;
+                               case 'A':
+                                       alg = 'A';
+                                       break;
+                               case 'S':
+                                       alg = 'S';
+                                       break;
+                               case 'C':
+                                       alg = 'C';
+                                       break;
+                               case 'F':
+                                       use_fft = 1;
+                                       break;
+                               case 'v':
+                                       tbrweight = 3;
+                                       break;
+                               case 'd':
+                                       disp = 1;
+                                       break;
+                               case 'o':
+                                       outgap = 0;
+                                       break;
+/* Modified 01/08/27, default: user tree */
+                               case 'J':
+                                       tbutree = 0;
+                                       break;
+/* modification end. */
+                               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 );
+       }
+       readOtherOptions( &ppid, &fftThreshold, &fftWinSize );
+}
+
+
+void treebase( char **name, int nlen[M], char **seq, char **aseq, char **mseq1, char **mseq2, double **mtx, int ***topol, double **len, double **eff, int alloclen )
+{
+       int i, j, l;
+       int clus1, clus2;
+       int s1, s2, r1, r2;
+       float pscore;
+       static char *indication1, *indication2;
+       static char **name1, **name2;
+       static double **partialmtx = NULL;
+       static int ***partialtopol = NULL;
+       static double **partiallen = NULL;
+       static double **partialeff = NULL;
+       static double *effarr = NULL;
+       static double *effarr1 = NULL;
+       static double *effarr2 = NULL;
+#if 0
+       char pair[njob][njob];
+#else
+       static char **pair;
+#endif
+       if( partialtopol == NULL ) 
+       {
+               partialmtx = AllocateDoubleMtx( njob, njob );
+               partialtopol = AllocateIntCub( njob, 2, njob );
+               partialeff = AllocateDoubleMtx( njob, njob );
+               partiallen = AllocateDoubleMtx( njob, 2 );
+               effarr = AllocateDoubleVec( njob );
+               effarr1 = AllocateDoubleVec( njob );
+               effarr2 = AllocateDoubleVec( njob );
+               indication1 = AllocateCharVec( njob*3+100 );
+               indication2 = AllocateCharVec( njob*3+100 );
+               name1 = AllocateCharMtx( njob, B+1 );
+               name2 = AllocateCharMtx( njob, B+1 );
+#if 0
+#else
+               pair = AllocateCharMtx( njob, njob );
+#endif
+       }
+
+       if( checkC )
+               for( i=0; i<njob; i++ ) fprintf( stderr, "eff in tb-%d %f\n", i, eff[i][i] );
+
+       for( i=0; i<njob; i++ ) effarr[i] = eff[i][i];
+       for( i=0; i<njob; i++ ) strcpy( aseq[i], seq[i] );
+
+       if( checkC )
+               for( i=0; i<njob; i++ ) fprintf( stderr, "effarr for aseq-%d %f\n", i, effarr[i] );
+
+       writePre( njob, name, nlen, aseq, 0 );
+
+       for( i=0; i<njob; i++ ) for( j=0; j<njob; j++ ) pair[i][j] = 0;
+       for( i=0; i<njob; i++ ) pair[i][i] = 1;
+       for( l=0; l<njob-1; l++ )
+       {
+               s1 = topol[l][0][0];
+               for( i=0; (r1=topol[l][0][i])>-1; i++ ) 
+                       if( pair[s1][r1] != 1 ) exit( 1 );
+               s2 = topol[l][1][0];
+               for( i=0; (r2=topol[l][1][i])>-1; i++ ) 
+                       if( pair[s2][r2] != 1 ) exit( 1 );
+
+               clus1 = conjuction( pair, s1, aseq, mseq1, effarr1, effarr, name, name1, indication1 );
+               clus2 = conjuction( pair, s2, aseq, mseq2, effarr2, effarr, name, name2, indication2 );
+               fprintf( trap_g, "\nSTEP-%d\n", l );
+               fprintf( trap_g, "group1 = %s\n", indication1 );
+               fprintf( trap_g, "group2 = %s\n", indication2 );
+
+               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" );
+
+               if( checkC )
+                       for( i=0; i<clus1; i++ ) fprintf( stderr, "STEP%d-eff for mseq1-%d %f\n", l+1, i, effarr1[i] );
+/*
+               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" );
+*/
+
+               pscore = Fgetlag( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen );
+
+               for( i=0; (r2=topol[l][1][i])>-1; i++ ) 
+               {
+                       pair[s1][r2] = 1;
+                       pair[s2][r2] = 0;
+               }
+
+               writePre( njob, name, nlen, aseq, 0 );
+
+               if( disp ) display( aseq, njob );
+               fprintf( stderr, "\n" );
+
+       }
+}
+
+static void WriteOptions( FILE *fp )
+{
+       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" );
+       }
+       if     ( scoremtx ==  0 ) fprintf( fp, "JTT %dPAM\n", pamN );
+       else if( scoremtx ==  1 ) fprintf( fp, "Dayhoff( machigai ga aru )\n" );
+       else if( scoremtx ==  2 ) fprintf( fp, "M-Y\n" );
+       else if( scoremtx == -1 ) fprintf( fp, "DNA\n" );
+
+    if( scoremtx == 0 || scoremtx == -1 )
+        fprintf( fp, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 );
+    else
+        fprintf( fp, "Gap Penalty = %+5.2f\n", (double)ppenalty/1000 );
+
+       if( alg == 'a' )
+               fprintf( fp, "Algorithm A\n" );
+       else if( alg == 'A' ) 
+               fprintf( fp, "Apgorithm A+\n" );
+       else if( alg == 'S' ) 
+               fprintf( fp, "Apgorithm S\n" );
+       else if( alg == 'C' ) 
+               fprintf( fp, "Apgorithm A+/C\n" );
+       else
+               fprintf( fp, "Unknown algorithm\n" );
+
+       if( treemethod == 'x' )
+               fprintf( fp, "Tree = UPGMA (3).\n" );
+       else if( treemethod == 's' )
+               fprintf( fp, "Tree = UPGMA (2).\n" );
+       else if( treemethod == 'p' )
+               fprintf( fp, "Tree = UPGMA (1).\n" );
+       else
+               fprintf( fp, "Unknown tree.\n" );
+
+    if( use_fft )
+    {
+        fprintf( fp, "FFT on\n" );
+        if( scoremtx == -1 )
+            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[M];    
+       static char **name, **seq;
+       static char **mseq1, **mseq2;
+       static char **aseq;
+       static char **bseq;
+       static double **pscore;
+       static double **eff;
+       static double **node0, **node1;
+       int i, j;
+       static int ***topol;
+       static double **len;
+       FILE *prep;
+       char c;
+       int alloclen;
+
+       arguments( argc, argv );
+       getnumlen( stdin );
+       rewind( stdin );
+
+       name = AllocateCharMtx( njob, B+1 );
+       seq = AllocateCharMtx( njob, nlenmax*5+1 );
+       aseq = AllocateCharMtx( njob, nlenmax*5+1 );
+       bseq = AllocateCharMtx( njob, nlenmax*5+1 );
+       mseq1 = AllocateCharMtx( njob, 0 );
+       mseq2 = AllocateCharMtx( njob, 0 );
+       alloclen = nlenmax*5;
+
+       topol = AllocateIntCub( njob, 2, njob );
+       len = AllocateDoubleMtx( njob, 2 );
+       pscore = AllocateDoubleMtx( njob, njob );
+       eff = AllocateDoubleMtx( njob, njob );
+       node0 = AllocateDoubleMtx( njob, njob );
+       node1 = AllocateDoubleMtx( njob, njob );
+
+#if 0
+       Read( name, nlen, seq );
+#else
+       readData_pointer( stdin, name, nlen, seq );
+#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, "Illeagal character %c\n", c );
+               exit( 1 );
+       }
+
+       writePre( njob, name, nlen, seq, 0 );
+
+       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 );
+                       }
+               }
+               for( i=0; i<njob-1; i++ ) for( j=i+1; j<njob; j++ ) 
+               {
+               /*
+                       pscore[i][j] = (double)score_calc1( seq[i], seq[j] );
+               */
+                       pscore[i][j] = (double)substitution_hosei( seq[i], seq[j] );
+               }
+       }
+       else
+       {
+               fprintf( stderr, "Loading 'hat2' ... " );
+               prep = fopen( "hat2", "r" );
+               if( prep == NULL ) ErrorExit( "Make hat2." );
+               readhat2_pointer( prep, njob, name, pscore );
+               fclose( prep );
+               fprintf( stderr, "done.\n" );
+
+#if 0
+               prep = fopen( "hat2_check", "w" );
+               WriteHat2( prep, njob, name, pscore );
+               fclose( prep );
+#endif
+
+       }
+
+       fprintf( stderr, "Constructing dendrogram ... " );
+       if( treemethod == 'x' )
+               supg( njob, pscore, topol, len );
+       else if( treemethod == 's' )
+               spg( njob, pscore, topol, len );
+       else if( treemethod == 'p' )
+               upg2( njob, pscore, topol, len );
+       else 
+               ErrorExit( "Incorrect tree\n" );
+       fprintf( stderr, "done.\n" );
+
+       countnode( njob, topol, node0 );
+       if( tbrweight )
+       {
+               weight = 3; 
+               utree = 0; counteff( njob, topol, len, eff ); utree = 1;
+       }
+       else
+       {
+               for( i=0; i<njob; i++ ) eff[i][i] = 1.0;
+       }
+
+
+       for( i=0; i<njob; i++ ) gappick0( bseq[i], seq[i] );
+
+       treebase( name, nlen, bseq, aseq, mseq1, mseq2, pscore, topol, len, eff, alloclen );
+
+       fprintf( trap_g, "done\n" );
+       fclose( trap_g );
+
+       writePre( njob, name, nlen, aseq, !contin );
+       writeData_pointer( stdout, njob, name, nlen, aseq );
+#if IODEBUG
+       fprintf( stderr, "OSHIMAI\n" );
+#endif
+       SHOWVERSION;
+       return( 0 );
+}