fixed some bugs in calling the optimal path; parameters adjusted (?)
git-svn-id: file:///humgen/gsa-scr1/gsa-engineering/svn_contents/trunk@169 348d0f76-0448-11de-a6fe-93d51630548a
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@ -97,7 +97,7 @@ public class SWPairwiseAlignment {
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// to that sequence
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int state = MSTATE;
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int segment_length = 1; // length of the segment (continuous matches, insertions or deletions)
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int segment_length = 0; // length of the segment (continuous matches, insertions or deletions)
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int [] scores = new int[3];
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@ -136,18 +136,25 @@ public class SWPairwiseAlignment {
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// post-process the last segment we are still keeping
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CigarOperator o=null;
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switch(state) {
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case MSTATE: o = CigarOperator.M; break;
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case ISTATE: o = CigarOperator.I; break;
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case DSTATE: o = CigarOperator.D; break;
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}
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CigarElement e = new CigarElement(segment_length-1,o);
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CigarElement e = new CigarElement(segment_length,o);
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lce.add(e);
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Collections.reverse(lce);
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alignmentCigar = new Cigar(lce);
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alignment_offset = p.first;
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}
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/** Allows for separate gap opening end extension penalties, no direct backtracking.
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*
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* @param a
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* @param b
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*/
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public void align2(String a, String b) {
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int n = a.length();
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int m = b.length();
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@ -163,7 +170,7 @@ public class SWPairwiseAlignment {
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for ( int k = 1 ; k < i ; k++ ) step_down = Math.max(step_down,sw[i-k][j]+wk(a_base,'-',k));
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double step_right = 0;
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for ( int k = 1 ; k < j ; k++ ) step_down = Math.max(step_down,sw[i][j-k]+wk('-',b_base,k));
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for ( int k = 1 ; k < j ; k++ ) step_right = Math.max(step_right,sw[i][j-k]+wk('-',b_base,k));
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sw[i][j] = Math.max(0, Math.max(step_diag,Math.max(step_down,step_right)));
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}
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@ -196,7 +203,7 @@ public class SWPairwiseAlignment {
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// to that sequence
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int state = MSTATE;
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int segment_length = 1; // length of the segment (continuous matches, insertions or deletions)
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int segment_length = 0; // length of the segment (continuous matches, insertions or deletions)
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double [] scores = new double[3];
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@ -243,7 +250,155 @@ public class SWPairwiseAlignment {
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case ISTATE: o = CigarOperator.I; break;
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case DSTATE: o = CigarOperator.D; break;
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}
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CigarElement e = new CigarElement(segment_length-1,o);
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CigarElement e = new CigarElement(segment_length,o);
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lce.add(e);
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Collections.reverse(lce);
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alignmentCigar = new Cigar(lce);
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alignment_offset = p.first;
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}
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/** Allows for separate gap opening and extension penalties, with backtracking.
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*
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* @param a
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* @param b
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*/
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public void align3(String a, String b) {
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int n = a.length();
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int m = b.length();
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double [][] sw = new double[n+1][m+1];
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int [][] btrack = new int[n+1][m+1];
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// build smith-waterman matrix and keep backtrack info:
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for ( int i = 1 ; i < n+1 ; i++ ) {
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char a_base = Character.toUpperCase(a.charAt(i-1)); // letter in a at the current pos
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for ( int j = 1 ; j < m+1 ; j++ ) {
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char b_base = Character.toUpperCase(b.charAt(j-1)); // letter in b at the current pos
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double step_diag = sw[i-1][j-1] + wd(a_base,b_base);
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double step_down = 0.0 ;
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int kd = 0;
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for ( int k = 1 ; k < i ; k++ ) {
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if ( step_down < sw[i-k][j]+wk(a_base,'-',k) ) {
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step_down=sw[i-k][j]+wk(a_base,'-',k);
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kd = k;
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}
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}
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double step_right = 0;
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int ki = 0;
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for ( int k = 1 ; k < j ; k++ ) {
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if ( step_right < sw[i][j-k]+wk('-',b_base,k) ) {
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step_right=sw[i][j-k]+wk('-',b_base,k);
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ki = k;
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}
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}
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if ( step_down > step_right ) {
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if ( step_down > step_diag ) {
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sw[i][j] = Math.max(0,step_down);
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btrack[i][j] = kd; // positive=vertical
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}
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else {
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sw[i][j] = Math.max(0,step_diag);
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btrack[i][j] = 0; // 0 = diagonal
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}
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} else {
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// step_down < step_right
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if ( step_right > step_diag ) {
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sw[i][j] = Math.max(0,step_right);
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btrack[i][j] = -ki; // negative = horizontal
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} else {
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sw[i][j] = Math.max(0,step_diag);
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btrack[i][j] = 0; // 0 = diagonal
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}
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}
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sw[i][j] = Math.max(0, Math.max(step_diag,Math.max(step_down,step_right)));
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}
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}
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print(sw,a,b);
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PrimitivePair.Int p = new PrimitivePair.Int();
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double maxscore = 0.0;
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// look for largest score. we use >= combined with the traversal direction
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// to ensure that if two scores are equal, the one closer to diagonal gets picked
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for ( int i = 1 ; i < n+1 ; i++ ) {
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if ( sw[i][m] >= maxscore ) { p.first = i; p.second = m ; maxscore = sw[i][m]; }
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}
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for ( int j = 1 ; j < m+1 ; j++ ) {
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if ( sw[n][j] > maxscore ||
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sw[n][j] == maxscore && Math.abs(n-j) < Math.abs(p.first-p.second)) {
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p.first = n;
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p.second = j ;
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maxscore = sw[n][j];
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}
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}
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System.out.println("\ni="+p.first+"; j="+p.second);
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// p holds the position we start backtracking from; we will be assembling a cigar in the backwards order
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// we will be placing all insertions and deletions into sequence b, so the state are named w/regard
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// to that sequence
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int state = MSTATE;
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int segment_length = 0; // length of the segment (continuous matches, insertions or deletions)
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double [] scores = new double[3];
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List<CigarElement> lce = new ArrayList<CigarElement>(5);
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do {
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int btr = btrack[p.first][p.second];
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int step_left = ( btr < 0 ? -btr : 1);
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int step_up = ( btr > 0 ? btr : 1 );
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// moving left: same base on a, prev base on b = insertion on b:
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scores[ISTATE] = sw[p.first][p.second-step_left] ;
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scores[DSTATE] = sw[p.first - step_up][p.second];
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scores[MSTATE] = sw[p.first-1][p.second-1]; // moving diagonal : match/mismatch
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// System.out.println("i = " + p.first + " ; j = " + p.second);
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// System.out.println("s(M)="+scores[MSTATE]+"; s(D)="+scores[DSTATE]+"; s(I)=" + scores[ISTATE]);
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int new_state = findMaxInd(scores,MSTATE);
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int step_length = 1;
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// move to next best location in the sw matrix:
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switch( new_state ) {
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case MSTATE: p.first--; p.second--; break;
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case ISTATE: p.second-=step_left; step_length = step_left; break;
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case DSTATE: p.first-=step_up; step_length = step_up; break;
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}
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// now let's see if the state actually changed:
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if ( new_state == state ) segment_length+=step_length;
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else {
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// state changed, lets emit previous segment, whatever it was (Insertion Deletion, or (Mis)Match).
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CigarOperator o=null;
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switch(state) {
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case MSTATE: o = CigarOperator.M; break;
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case ISTATE: o = CigarOperator.I; break;
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case DSTATE: o = CigarOperator.D; break;
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}
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CigarElement e = new CigarElement(segment_length,o);
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lce.add(e);
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segment_length = step_length;
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state = new_state;
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}
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} while ( scores[state] != 0 );
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// post-process the last segment we are still keeping
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CigarOperator o=null;
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switch(state) {
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case MSTATE: o = CigarOperator.M; break;
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case ISTATE: o = CigarOperator.I; break;
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case DSTATE: o = CigarOperator.D; break;
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}
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CigarElement e = new CigarElement(segment_length,o);
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lce.add(e);
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Collections.reverse(lce);
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alignmentCigar = new Cigar(lce);
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@ -259,11 +414,11 @@ public class SWPairwiseAlignment {
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private double wd ( char x, char y ) {
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if ( x== y ) return 2.0;
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else return -1;
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else return -1.0;
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}
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private double wk(char x, char y, int k) {
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return -2.0-k; // gap
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return -2.0-k/6; // gap
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// return -1.0 ; // no extension penalty
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// return -1.0-Math.log(k+1); // weak extension penalty
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}
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@ -355,9 +510,14 @@ public class SWPairwiseAlignment {
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// String s1 = "ACCTGGTGTATATAGGGTAAGGCTGAT";
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// String s2 = "TGTATATAGGGTAAGG";
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// String s1 = "GGTAAGGC";
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// String s2 = "GGTCTCAA";
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String s1 = "ACCTGGTGTATATAGGGTAAGGCTGAT";
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String s2 = "TGTTAGGGTCTCAAGG";
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// String s1 = "GGTGTATATAGGGT" ;
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// String s2 = "TGTTAGGG";
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testMe(s1,s2);
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}
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@ -365,11 +525,8 @@ public class SWPairwiseAlignment {
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SWPairwiseAlignment swpa = new SWPairwiseAlignment(s1,s2);
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SequencePile sp = new SequencePile(s1);
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sp.addAlignedSequence(s2,false,swpa.getCigar(),swpa.getAlignmentStart2wrt1());
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for ( int i = 0 ; i < swpa.getCigar().numCigarElements() ; i++ ) {
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System.out.print(swpa.getCigar().getCigarElement(i).getLength());
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char c=' ';
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switch ( swpa.getCigar().getCigarElement(i).getOperator() ) {
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case M : c = 'M'; break;
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@ -377,7 +534,10 @@ public class SWPairwiseAlignment {
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case I : c = 'I'; break;
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}
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System.out.print(c);
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System.out.print(swpa.getCigar().getCigarElement(i).getLength());
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}
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SequencePile sp = new SequencePile(s1);
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sp.addAlignedSequence(s2,false,swpa.getCigar(),swpa.getAlignmentStart2wrt1());
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System.out.println();
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System.out.println(sp.format());
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