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genalign11.c

#include "mltaln.h"
#include "dp.h"

#define DEBUG 0
#define DEBUG2 0
#define XXXXXXX    0
#define USE_PENALTY_EX  1

static int localstop;

#if 1
static void match_calc( float *match, char **s1, char **s2, int i1, int lgth2 ) 
{
      char tmpc = s1[0][i1];
      char *seq2 = s2[0];

      while( lgth2-- )
            *match++ = amino_dis[tmpc][*seq2++];
}
#else
static void match_calc( float *match, char **s1, char **s2, int i1, int lgth2 )
{
      int j;

      for( j=0; j<lgth2; j++ )
            match[j] = amino_dis[(*s1)[i1]][(*s2)[j]];
}
#endif

static void match_calc_bk( float *match, float **cpmx1, float **cpmx2, int i1, int lgth2, float **floatwork, int **intwork, int initialize )
{
      int j, k, l;
      float scarr[26];
      float **cpmxpd = floatwork;
      int **cpmxpdn = intwork;
      int count = 0;

      if( initialize )
      {
            for( j=0; j<lgth2; j++ )
            {
                  count = 0;
                  for( l=0; l<26; l++ )
                  {
                        if( cpmx2[l][j] )
                        {
                              cpmxpd[count][j] = cpmx2[l][j];
                              cpmxpdn[count][j] = l;
                              count++;
                        }
                  }
                  cpmxpdn[count][j] = -1;
            }
      }

      for( l=0; l<26; l++ )
      {
            scarr[l] = 0.0;
            for( k=0; k<26; k++ )
                  scarr[l] += n_dis[k][l] * cpmx1[k][i1];
      }
#if 0 /* これを使うときはfloatworkのアロケートを逆にする */
      {
            float *fpt, **fptpt, *fpt2;
            int *ipt, **iptpt;
            fpt2 = match;
            iptpt = cpmxpdn;
            fptpt = cpmxpd;
            while( lgth2-- )
            {
                  *fpt2 = 0.0;
                  ipt=*iptpt,fpt=*fptpt;
                  while( *ipt > -1 )
                        *fpt2 += scarr[*ipt++] * *fpt++;
                  fpt2++,iptpt++,fptpt++;
            } 
      }
#else
      for( j=0; j<lgth2; j++ )
      {
            match[j] = 0.0;
            for( k=0; cpmxpdn[k][j]>-1; k++ )
                  match[j] += scarr[cpmxpdn[k][j]] * cpmxpd[k][j];
      } 
#endif
}

static float gentracking( float *lasthorizontalw, float *lastverticalw, 
                                    char **seq1, char **seq2, 
                        char **mseq1, char **mseq2, 
                        float **cpmx1, float **cpmx2, 
                        short **ijpi, short **ijpj, int *off1pt, int *off2pt, int endi, int endj )
{
      int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k, limk;
      char gap[] = "-";
      lgth1 = strlen( seq1[0] );
      lgth2 = strlen( seq2[0] );

#if 0
      for( i=0; i<lgth1; i++ ) 
      {
            fprintf( stderr, "lastverticalw[%d] = %f\n", i, lastverticalw[i] );
      }
#endif
 
    for( i=0; i<lgth1+1; i++ ) 
    {
        ijpi[i][0] = localstop;
        ijpj[i][0] = localstop;
    }
    for( j=0; j<lgth2+1; j++ ) 
    {
        ijpi[0][j] = localstop;
        ijpj[0][j] = localstop;
    }

      mseq1[0] += lgth1+lgth2;
      *mseq1[0] = 0;
      mseq2[0] += lgth1+lgth2;
      *mseq2[0] = 0;
      iin = endi; jin = endj;
      limk = lgth1+lgth2;
      for( k=0; k<=limk; k++ ) 
      {

            ifi = ( ijpi[iin][jin] );
            jfi = ( ijpj[iin][jin] );
            l = iin - ifi;
//          if( ijpi[iin][jin] < 0 || ijpj[iin][jin] < 0 )
//          {
//                fprintf( stderr, "skip! %d-%d\n", ijpi[iin][jin], ijpj[iin][jin] );
//                fprintf( stderr, "1: %c-%c\n", seq1[0][iin], seq1[0][ifi] );
//                fprintf( stderr, "2: %c-%c\n", seq2[0][jin], seq2[0][jfi] );
//          }
            while( --l ) 
            {
                  *--mseq1[0] = seq1[0][ifi+l];
                  *--mseq2[0] = *gap;
                  k++;
            }
            l= jin - jfi;
            while( --l )
            {
                  *--mseq1[0] = *gap;
                  *--mseq2[0] = seq2[0][jfi+l];
                  k++;
            }

            if( iin <= 0 || jin <= 0 ) break;
            *--mseq1[0] = seq1[0][ifi];
            *--mseq2[0] = seq2[0][jfi];
            if( ijpi[ifi][jfi] == localstop ) break;
            if( ijpj[ifi][jfi] == localstop ) break; /*いらない*/
            k++;
            iin = ifi; jin = jfi;
      }
      if( ifi == -1 ) *off1pt = 0; else *off1pt = ifi;
      if( jfi == -1 ) *off2pt = 0; else *off2pt = jfi;

//    fprintf( stderr, "ifn = %d, jfn = %d\n", ifi, jfi );


      return( 0.0 );
}


float genL__align11( char **seq1, char **seq2, int alloclen, int *off1pt, int *off2pt )
/* score no keisan no sai motokaraaru gap no atukai ni mondai ga aru */
{
//    int k;
      register int i, j;
      int lasti, lastj; 
      int lgth1, lgth2;
      int resultlen;
      float wm = 0.0;   /* int ?????? */
      float g;
      float *currentw, *previousw;
#if 1
      float *wtmp;
      short *ijpipt;
      short *ijpjpt;
      float *mjpt, *Mjpt, *prept, *curpt;
      int *mpjpt, *Mpjpt;
#endif
      static float mi, *m;
      static float Mi, *largeM;
      static short **ijpi;
      static short **ijpj;
      static int mpi, *mp;
      static int Mpi, *Mp;
      static float *w1, *w2;
      static float *match;
      static float *initverticalw;    /* kufuu sureba iranai */
      static float *lastverticalw;    /* kufuu sureba iranai */
      static char **mseq1;
      static char **mseq2;
      static char **mseq;
      static float **cpmx1;
      static float **cpmx2;
      static int **intwork;
      static float **floatwork;
      static int orlgth1 = 0, orlgth2 = 0;
      float maxwm;
      float tbk;
      int tbki, tbkj;
      int endali, endalj;
//    float localthr = 0.0;
//    float localthr2 = 0.0;
      float fpenalty = (float)penalty;
      float fpenalty_OP = (float)penalty_OP;
      float fpenalty_ex = (float)penalty_ex;
      float fpenalty_EX = (float)penalty_EX;
      float foffset = (float)offset;
      float localthr = -foffset;
      float localthr2 = -foffset;


//    fprintf( stderr, "@@@@@@@@@@@@@ penalty_OP = %f, penalty_EX = %f, pelanty = %f\n", fpenalty_OP, fpenalty_EX, fpenalty );

      if( orlgth1 == 0 )
      {
            mseq1 = AllocateCharMtx( njob, 0 );
            mseq2 = AllocateCharMtx( njob, 0 );
      }


      lgth1 = strlen( seq1[0] );
      lgth2 = strlen( seq2[0] );

      if( lgth1 > orlgth1 || lgth2 > orlgth2 )
      {
            int ll1, ll2;

            if( orlgth1 > 0 && orlgth2 > 0 )
            {
                  FreeFloatVec( w1 );
                  FreeFloatVec( w2 );
                  FreeFloatVec( match );
                  FreeFloatVec( initverticalw );
                  FreeFloatVec( lastverticalw );

                  FreeFloatVec( m );
                  FreeIntVec( mp );
                  FreeFloatVec( largeM );
                  FreeIntVec( Mp );

                  FreeCharMtx( mseq );

                  FreeFloatMtx( cpmx1 );
                  FreeFloatMtx( cpmx2 );

                  FreeFloatMtx( floatwork );
                  FreeIntMtx( intwork );
            }

            ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100;
            ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100;

#if DEBUG
            fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 );
#endif

            w1 = AllocateFloatVec( ll2+2 );
            w2 = AllocateFloatVec( ll2+2 );
            match = AllocateFloatVec( ll2+2 );

            initverticalw = AllocateFloatVec( ll1+2 );
            lastverticalw = AllocateFloatVec( ll1+2 );

            m = AllocateFloatVec( ll2+2 );
            mp = AllocateIntVec( ll2+2 );
            largeM = AllocateFloatVec( ll2+2 );
            Mp = AllocateIntVec( ll2+2 );

            mseq = AllocateCharMtx( njob, ll1+ll2 );

            cpmx1 = AllocateFloatMtx( 26, ll1+2 );
            cpmx2 = AllocateFloatMtx( 26, ll2+2 );

            floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); 
            intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); 

#if DEBUG
            fprintf( stderr, "succeeded\n" );
#endif

            orlgth1 = ll1 - 100;
            orlgth2 = ll2 - 100;
      }


      mseq1[0] = mseq[0];
      mseq2[0] = mseq[1];


      if( orlgth1 > commonAlloc1 || orlgth2 > commonAlloc2 )
      {
            int ll1, ll2;

            if( commonAlloc1 && commonAlloc2 )
            {
                  FreeShortMtx( commonIP );
                  FreeShortMtx( commonJP );
            }

            ll1 = MAX( orlgth1, commonAlloc1 );
            ll2 = MAX( orlgth2, commonAlloc2 );

#if DEBUG
            fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 );
#endif

            commonIP = AllocateShortMtx( ll1+10, ll2+10 );
            commonJP = AllocateShortMtx( ll1+10, ll2+10 );

#if DEBUG
            fprintf( stderr, "succeeded\n\n" );
#endif

            commonAlloc1 = ll1;
            commonAlloc2 = ll2;
      }
      ijpi = commonIP;
      ijpj = commonJP;


#if 0
      for( i=0; i<lgth1; i++ ) 
            fprintf( stderr, "ogcp1[%d]=%f\n", i, ogcp1[i] );
#endif

      currentw = w1;
      previousw = w2;

      match_calc( initverticalw, seq2, seq1, 0, lgth1 );

      match_calc( currentw, seq1, seq2, 0, lgth2 );


      lasti = lgth2+1;
      for( j=1; j<lasti; ++j ) 
      {
            m[j] = currentw[j-1]; mp[j] = 0;
            largeM[j] = currentw[j-1]; Mp[j] = 0;
      }

      lastverticalw[0] = currentw[lgth2-1];


#if 0
fprintf( stderr, "currentw = \n" );
for( i=0; i<lgth1+1; i++ )
{
      fprintf( stderr, "%5.2f ", currentw[i] );
}
fprintf( stderr, "\n" );
fprintf( stderr, "initverticalw = \n" );
for( i=0; i<lgth2+1; i++ )
{
      fprintf( stderr, "%5.2f ", initverticalw[i] );
}
fprintf( stderr, "\n" );
#endif
#if DEBUG2
      fprintf( stderr, "\n" );
      fprintf( stderr, "       " );
      for( j=0; j<lgth2+1; j++ )
            fprintf( stderr, "%c     ", seq2[0][j] );
      fprintf( stderr, "\n" );
#endif

      localstop = lgth1+lgth2+1;
      maxwm = -999999999.9;
      endali = endalj = 0;
#if DEBUG2
      fprintf( stderr, "\n" );
      fprintf( stderr, "%c   ", seq1[0][0] );

      for( j=0; j<lgth2+1; j++ )
            fprintf( stderr, "%5.0f ", currentw[j] );
      fprintf( stderr, "\n" );
#endif

      lasti = lgth1+1;
      for( i=1; i<lasti; i++ )
      {
            wtmp = previousw; 
            previousw = currentw;
            currentw = wtmp;

            previousw[0] = initverticalw[i-1];

            match_calc( currentw, seq1, seq2, i, lgth2 );
#if DEBUG2
            fprintf( stderr, "%c   ", seq1[0][i] );
            fprintf( stderr, "%5.0f ", currentw[0] );
#endif

#if XXXXXXX
fprintf( stderr, "\n" );
fprintf( stderr, "i=%d\n", i );
fprintf( stderr, "currentw = \n" );
for( j=0; j<lgth2; j++ )
{
      fprintf( stderr, "%5.2f ", currentw[j] );
}
fprintf( stderr, "\n" );
#endif
#if XXXXXXX
fprintf( stderr, "\n" );
fprintf( stderr, "i=%d\n", i );
fprintf( stderr, "currentw = \n" );
for( j=0; j<lgth2; j++ )
{
      fprintf( stderr, "%5.2f ", currentw[j] );
}
fprintf( stderr, "\n" );
#endif
            currentw[0] = initverticalw[i];

            mi = previousw[0]; mpi = 0;
            Mi = previousw[0]; Mpi = 0;

#if 0
            if( mi < localthr ) mi = localthr2;
#endif

            ijpipt = ijpi[i] + 1;
            ijpjpt = ijpj[i] + 1;
            mjpt = m + 1;
            Mjpt = largeM + 1;
            prept = previousw;
            curpt = currentw + 1;
            mpjpt = mp + 1;
            Mpjpt = Mp + 1;
            tbk = -999999.9;
            tbki = 0;
            tbkj = 0;
            lastj = lgth2+1;
            for( j=1; j<lastj; j++ )
            {
                  wm = *prept;
                  *ijpipt = i-1;
                  *ijpjpt = j-1;


//                fprintf( stderr, "i,j=%d,%d %c-%c\n", i, j, seq1[0][i], seq2[0][j] );
//                fprintf( stderr, "wm=%f\n", wm );
#if 0
                  fprintf( stderr, "%5.0f->", wm );
#endif
                  g = mi + fpenalty;
#if 0
                  fprintf( stderr, "%5.0f?", g );
#endif
                  if( g > wm )
                  {
                        wm = g;
//                      *ijpipt = i - 1; /*いらない*/
                        *ijpjpt = mpi;
                  }
                  g = *prept;
                  if( g > mi )
                  {
                        mi = g;
                        mpi = j-1;
                  }

#if USE_PENALTY_EX
                  mi += fpenalty_ex;
#endif

#if 0
                  fprintf( stderr, "%5.0f->", wm );
#endif
                  g = *mjpt + fpenalty;
#if 0
                  fprintf( stderr, "m%5.0f?", g );
#endif
                  if( g > wm )
                  {
                        wm = g;
                        *ijpipt = *mpjpt;
                        *ijpjpt = j - 1; /*いらない*/ // IRIMASU!!!
                  }
                  g = *prept;
                  if( g > *mjpt )
                  {
                        *mjpt = g;
                        *mpjpt = i-1;
                  }
#if USE_PENALTY_EX
                  *mjpt += fpenalty_ex;
#endif


                  g =  tbk + fpenalty_OP; /*別の方がいいかも*/
//                g =  tbk; /*別の方がいいかも*/
                  if( g > wm )
                  {
                        wm = g;
                        *ijpipt = tbki;
                        *ijpjpt = tbkj;
//                      fprintf( stderr, "hit! i%d, j%d, ijpi = %d, ijpj = %d\n", i, j, *ijpipt, *ijpjpt );
                  }
//                g = Mi;
                  if( Mi > tbk )
                  {
                        tbk = Mi; //error desu.
                        tbki = i-1;
                        tbkj = Mpi;
                  }
//                g = *Mjpt;
                  if( *Mjpt > tbk )
                  {
                        tbk = *Mjpt;
                        tbki = *Mpjpt;
                        tbkj = j-1;
                  }
//                tbk += fpenalty_EX;// + foffset;

//                g = *prept;
                  if( *prept > *Mjpt )
                  {
                        *Mjpt = *prept;
                        *Mpjpt = i-1;
                  }
//                *Mjpt += fpenalty_EX;// + foffset;

//                g = *prept;
                  if( *prept > Mi )
                  {
                        Mi = *prept;
                        Mpi = j-1;
                  }
//                Mi += fpenalty_EX;// + foffset;


//                fprintf( stderr, "wm=%f, tbk=%f(%c-%c), mi=%f, *mjpt=%f\n", wm, tbk, seq1[0][tbki], seq2[0][tbkj], mi, *mjpt );
//                fprintf( stderr, "ijp = %c,%c\n", seq1[0][abs(*ijpipt)], seq2[0][abs(*ijpjpt)] );


                  if( maxwm < wm )
                  {
                        maxwm = wm;
                        endali = i;
                        endalj = j;
                  }
#if 1
                  if( wm < localthr )
                  {
//                      fprintf( stderr, "stop i=%d, j=%d, curpt=%f\n", i, j, *curpt );
                        *ijpipt = localstop;
//                      *ijpjpt = localstop; /*いらない*/
                        wm = localthr2;
                  }
#endif
#if 0
                  fprintf( stderr, "%5.0f ", *curpt );
#endif
#if DEBUG2
                  fprintf( stderr, "%5.0f ", wm );
//                fprintf( stderr, "%c-%c *ijppt = %d, localstop = %d\n", seq1[0][i], seq2[0][j], *ijppt, localstop );
#endif

                  *curpt += wm;
                  ijpipt++;
                  ijpjpt++;
                  mjpt++;
                  Mjpt++;
                  prept++;
                  mpjpt++;
                  Mpjpt++;
                  curpt++;
            }
#if DEBUG2
            fprintf( stderr, "\n" );
#endif

            lastverticalw[i] = currentw[lgth2-1];
      }


#if DEBUG2
      fprintf( stderr, "maxwm = %f\n", maxwm );
      fprintf( stderr, "endali = %d\n", endali );
      fprintf( stderr, "endalj = %d\n", endalj );
#endif
            
      gentracking( currentw, lastverticalw, seq1, seq2, mseq1, mseq2, cpmx1, cpmx2, ijpi, ijpj, off1pt, off2pt, endali, endalj );

//    fprintf( stderr, "### impmatch = %f\n", *impmatch );

      resultlen = strlen( mseq1[0] );
      if( alloclen < resultlen || resultlen > N )
      {
            fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N );
            ErrorExit( "LENGTH OVER!\n" );
      }


      strcpy( seq1[0], mseq1[0] );
      strcpy( seq2[0], mseq2[0] );

#if 0
      fprintf( stderr, "\n" );
      fprintf( stderr, ">\n%s\n", mseq1[0] );
      fprintf( stderr, ">\n%s\n", mseq2[0] );
#endif


      return( wm );
}


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