2 * Jalview - A Sequence Alignment Editor and Viewer
3 * Copyright (C) 2006 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle
5 * This program is free software; you can redistribute it and/or
6 * modify it under the terms of the GNU General Public License
7 * as published by the Free Software Foundation; either version 2
8 * of the License, or (at your option) any later version.
10 * This program is distributed in the hope that it will be useful,
11 * but WITHOUT ANY WARRANTY; without even the implied warranty of
12 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13 * GNU General Public License for more details.
15 * You should have received a copy of the GNU General Public License
16 * along with this program; if not, write to the Free Software
17 * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA
19 package jalview.analysis;
21 import jalview.datamodel.*;
23 import jalview.io.NewickFile;
25 import jalview.schemes.ResidueProperties;
27 import jalview.util.*;
43 //SequenceData is a string representation of what the user
44 //sees. The display may contain hidden columns.
45 public AlignmentView seqData=null;
55 Vector groups = new Vector();
67 boolean hasDistances = true; // normal case for jalview trees
68 boolean hasBootstrap = false; // normal case for jalview trees
70 private boolean hasRootDistance = true;
73 * Create a new NJTree object with leaves associated with sequences in seqs,
74 * and original alignment data represented by Cigar strings.
75 * @param seqs SequenceI[]
76 * @param odata Cigar[]
77 * @param treefile NewickFile
79 public NJTree(SequenceI[] seqs, AlignmentView odata, NewickFile treefile) {
84 sequenceString = new String[odata.length];
85 char gapChar = jalview.util.Comparison.GapChars.charAt(0);
86 for (int i = 0; i < odata.length; i++)
88 SequenceI oseq_aligned = odata[i].getSeq(gapChar);
89 sequenceString[i] = oseq_aligned.getSequence();
94 * Creates a new NJTree object from a tree from an external source
96 * @param seqs SequenceI which should be associated with leafs of treefile
97 * @param treefile A parsed tree
99 public NJTree(SequenceI[] seqs, NewickFile treefile)
101 this.sequence = seqs;
102 top = treefile.getTree();
105 * There is no dependent alignment to be recovered from an
108 if (sequenceString == null)
110 sequenceString = new String[seqs.length];
111 for (int i = 0; i < seqs.length; i++)
113 sequenceString[i] = seqs[i].getSequence();
118 hasDistances = treefile.HasDistances();
119 hasBootstrap = treefile.HasBootstrap();
120 hasRootDistance = treefile.HasRootDistance();
122 maxheight = findHeight(top);
124 SequenceIdMatcher algnIds = new SequenceIdMatcher(seqs);
126 Vector leaves = new Vector();
127 findLeaves(top, leaves);
130 int namesleft = seqs.length;
135 Vector one2many=new Vector();
137 while (i < leaves.size())
139 j = (SequenceNode) leaves.elementAt(i++);
140 realnam = j.getName();
145 nam = algnIds.findIdMatch(realnam);
151 if (one2many.contains(nam)) {
152 if (jalview.bin.Cache.log.isDebugEnabled())
153 jalview.bin.Cache.log.debug("One 2 many relationship for "+nam.getName());
155 one2many.addElement(nam);
161 j.setElement(new Sequence(realnam, "THISISAPLACEHLDER"));
162 j.setPlaceholder(true);
165 if (jalview.bin.Cache.log.isDebugEnabled()) {
166 jalview.bin.Cache.log.debug("There were "+one2many.size()+" alignment sequences linked to two or more leaves.");
172 * Creates a new NJTree object.
174 * @param sequence DOCUMENT ME!
175 * @param type DOCUMENT ME!
176 * @param pwtype DOCUMENT ME!
177 * @param start DOCUMENT ME!
178 * @param end DOCUMENT ME!
180 public NJTree(SequenceI[] sequence,
181 AlignmentView seqData,
186 this.sequence = sequence;
187 this.node = new Vector();
189 this.pwtype = pwtype;
191 this.seqData = seqData;
193 SeqCigar[] seqs = new SeqCigar[sequence.length];
194 for(int i=0; i<sequence.length; i++)
196 seqs[i] = new SeqCigar(sequence[i], start, end);
198 CigarArray sdata = new CigarArray(seqs);
199 sdata.addOperation(CigarArray.M, end-start+1);
200 this.seqData = new AlignmentView(sdata, start);
203 if (!(type.equals("NJ")))
208 if (!(pwtype.equals("PID")))
215 done = new int[sequence.length];
217 while ((i < sequence.length) && (sequence[i] != null))
225 distance = findDistances(this.seqData.getSequenceStrings(Comparison.GapChars.charAt(0)));
229 noClus = cluster.size();
237 * @return DOCUMENT ME!
239 public String toString()
241 jalview.io.NewickFile fout = new jalview.io.NewickFile(getTopNode());
243 return fout.print(false, true); // distances only
248 * used when the alignment associated to a tree has changed.
250 * @param alignment Vector
252 public void UpdatePlaceHolders(Vector alignment)
254 Vector leaves = new Vector();
255 findLeaves(top, leaves);
257 int sz = leaves.size();
258 SequenceIdMatcher seqmatcher = null;
263 SequenceNode leaf = (SequenceNode) leaves.elementAt(i++);
265 if (alignment.contains(leaf.element()))
267 leaf.setPlaceholder(false);
271 if (seqmatcher == null)
273 // Only create this the first time we need it
274 SequenceI[] seqs = new SequenceI[alignment.size()];
276 for (int j = 0; j < seqs.length; j++)
277 seqs[j] = (SequenceI) alignment.elementAt(j);
279 seqmatcher = new SequenceIdMatcher(seqs);
282 SequenceI nam = seqmatcher.findIdMatch(leaf.getName());
286 leaf.setPlaceholder(false);
287 leaf.setElement(nam);
291 leaf.setPlaceholder(true);
300 public void cluster()
304 if (type.equals("NJ"))
313 Cluster c = joinClusters(mini, minj);
317 cluster.setElementAt(null, minj);
318 cluster.setElementAt(c, mini);
323 boolean onefound = false;
328 for (int i = 0; i < noseqs; i++)
332 if (onefound == false)
344 joinClusters(one, two);
345 top = (SequenceNode) (node.elementAt(one));
355 * @param i DOCUMENT ME!
356 * @param j DOCUMENT ME!
358 * @return DOCUMENT ME!
360 public Cluster joinClusters(int i, int j)
362 float dist = distance[i][j];
364 int noi = ((Cluster) cluster.elementAt(i)).value.length;
365 int noj = ((Cluster) cluster.elementAt(j)).value.length;
367 int[] value = new int[noi + noj];
369 for (int ii = 0; ii < noi; ii++)
371 value[ii] = ((Cluster) cluster.elementAt(i)).value[ii];
374 for (int ii = noi; ii < (noi + noj); ii++)
376 value[ii] = ((Cluster) cluster.elementAt(j)).value[ii - noi];
379 Cluster c = new Cluster(value);
384 if (type.equals("NJ"))
386 findClusterNJDistance(i, j);
390 findClusterDistance(i, j);
393 SequenceNode sn = new SequenceNode();
395 sn.setLeft((SequenceNode) (node.elementAt(i)));
396 sn.setRight((SequenceNode) (node.elementAt(j)));
398 SequenceNode tmpi = (SequenceNode) (node.elementAt(i));
399 SequenceNode tmpj = (SequenceNode) (node.elementAt(j));
401 if (type.equals("NJ"))
403 findNewNJDistances(tmpi, tmpj, dist);
407 findNewDistances(tmpi, tmpj, dist);
413 node.setElementAt(sn, i);
421 * @param tmpi DOCUMENT ME!
422 * @param tmpj DOCUMENT ME!
423 * @param dist DOCUMENT ME!
425 public void findNewNJDistances(SequenceNode tmpi, SequenceNode tmpj,
429 tmpi.dist = ((dist + ri) - rj) / 2;
430 tmpj.dist = (dist - tmpi.dist);
446 * @param tmpi DOCUMENT ME!
447 * @param tmpj DOCUMENT ME!
448 * @param dist DOCUMENT ME!
450 public void findNewDistances(SequenceNode tmpi, SequenceNode tmpj,
456 SequenceNode sni = tmpi;
457 SequenceNode snj = tmpj;
462 sni = (SequenceNode) sni.left();
468 snj = (SequenceNode) snj.left();
471 tmpi.dist = ((dist / 2) - ih);
472 tmpj.dist = ((dist / 2) - jh);
478 * @param i DOCUMENT ME!
479 * @param j DOCUMENT ME!
481 public void findClusterDistance(int i, int j)
483 int noi = ((Cluster) cluster.elementAt(i)).value.length;
484 int noj = ((Cluster) cluster.elementAt(j)).value.length;
486 // New distances from cluster to others
487 float[] newdist = new float[noseqs];
489 for (int l = 0; l < noseqs; l++)
491 if ((l != i) && (l != j))
493 newdist[l] = ((distance[i][l] * noi) + (distance[j][l] * noj)) / (noi +
502 for (int ii = 0; ii < noseqs; ii++)
504 distance[i][ii] = newdist[ii];
505 distance[ii][i] = newdist[ii];
512 * @param i DOCUMENT ME!
513 * @param j DOCUMENT ME!
515 public void findClusterNJDistance(int i, int j)
518 // New distances from cluster to others
519 float[] newdist = new float[noseqs];
521 for (int l = 0; l < noseqs; l++)
523 if ((l != i) && (l != j))
525 newdist[l] = ((distance[i][l] + distance[j][l]) -
534 for (int ii = 0; ii < noseqs; ii++)
536 distance[i][ii] = newdist[ii];
537 distance[ii][i] = newdist[ii];
544 * @param i DOCUMENT ME!
545 * @param j DOCUMENT ME!
547 * @return DOCUMENT ME!
549 public float findr(int i, int j)
553 for (int k = 0; k < noseqs; k++)
555 if ((k != i) && (k != j) && (done[k] != 1))
557 tmp = tmp + distance[i][k];
563 tmp = tmp / (noClus - 2);
572 * @return DOCUMENT ME!
574 public float findMinNJDistance()
578 for (int i = 0; i < (noseqs - 1); i++)
580 for (int j = i + 1; j < noseqs; j++)
582 if ((done[i] != 1) && (done[j] != 1))
584 float tmp = distance[i][j] - (findr(i, j) + findr(j, i));
603 * @return DOCUMENT ME!
605 public float findMinDistance()
609 for (int i = 0; i < (noseqs - 1); i++)
611 for (int j = i + 1; j < noseqs; j++)
613 if ((done[i] != 1) && (done[j] != 1))
615 if (distance[i][j] < min)
620 min = distance[i][j];
632 * @return DOCUMENT ME!
634 public float[][] findDistances(String[] sequenceString)
636 float[][] distance = new float[noseqs][noseqs];
638 if (pwtype.equals("PID"))
640 for (int i = 0; i < (noseqs - 1); i++)
642 for (int j = i; j < noseqs; j++)
650 distance[i][j] = 100 -
651 Comparison.PID(sequenceString[i], sequenceString[j]);
653 distance[j][i] = distance[i][j];
658 else if (pwtype.equals("BL"))
661 int end = sequenceString[0].length();
662 for (int i = 0; i < (noseqs - 1); i++)
664 for (int j = i; j < noseqs; j++)
668 for (int k = 0; k < end; k++)
672 score += ResidueProperties.getBLOSUM62(
673 sequenceString[i].substring(k, k + 1),
674 sequenceString[j].substring(k, k + 1));
678 System.err.println("err creating BLOSUM62 tree");
679 ex.printStackTrace();
683 distance[i][j] = (float) score;
685 if (score > maxscore)
692 for (int i = 0; i < (noseqs - 1); i++)
694 for (int j = i; j < noseqs; j++)
696 distance[i][j] = (float) maxscore - distance[i][j];
697 distance[j][i] = distance[i][j];
701 /* else if (pwtype.equals("SW"))
705 for (int i = 0; i < (noseqs - 1); i++)
707 for (int j = i; j < noseqs; j++)
709 AlignSeq as = new AlignSeq(sequence[i], sequence[j], "pep");
710 as.calcScoreMatrix();
712 as.printAlignment(System.out);
713 distance[i][j] = (float) as.maxscore;
715 if (max < distance[i][j])
717 max = distance[i][j];
722 for (int i = 0; i < (noseqs - 1); i++)
724 for (int j = i; j < noseqs; j++)
726 distance[i][j] = max - distance[i][j];
727 distance[j][i] = distance[i][j];
738 public void makeLeaves()
740 cluster = new Vector();
742 for (int i = 0; i < noseqs; i++)
744 SequenceNode sn = new SequenceNode();
746 sn.setElement(sequence[i]);
747 sn.setName(sequence[i].getName());
750 int[] value = new int[1];
753 Cluster c = new Cluster(value);
754 cluster.addElement(c);
761 * @param node DOCUMENT ME!
762 * @param leaves DOCUMENT ME!
764 * @return DOCUMENT ME!
766 public Vector findLeaves(SequenceNode node, Vector leaves)
773 if ((node.left() == null) && (node.right() == null))
775 leaves.addElement(node);
781 findLeaves((SequenceNode) node.left(), leaves);
782 findLeaves((SequenceNode) node.right(), leaves);
791 * @param node DOCUMENT ME!
792 * @param count DOCUMENT ME!
794 * @return DOCUMENT ME!
796 public Object findLeaf(SequenceNode node, int count)
798 found = _findLeaf(node, count);
806 * @param node DOCUMENT ME!
807 * @param count DOCUMENT ME!
809 * @return DOCUMENT ME!
811 public Object _findLeaf(SequenceNode node, int count)
818 if (node.ycount == count)
820 found = node.element();
826 _findLeaf((SequenceNode) node.left(), count);
827 _findLeaf((SequenceNode) node.right(), count);
834 * printNode is mainly for debugging purposes.
836 * @param node SequenceNode
838 public void printNode(SequenceNode node)
845 if ((node.left() == null) && (node.right() == null))
847 System.out.println("Leaf = " +
848 ((SequenceI) node.element()).getName());
849 System.out.println("Dist " + ((SequenceNode) node).dist);
850 System.out.println("Boot " + node.getBootstrap());
854 System.out.println("Dist " + ((SequenceNode) node).dist);
855 printNode((SequenceNode) node.left());
856 printNode((SequenceNode) node.right());
863 * @param node DOCUMENT ME!
865 public void findMaxDist(SequenceNode node)
872 if ((node.left() == null) && (node.right() == null))
874 float dist = ((SequenceNode) node).dist;
876 if (dist > maxDistValue)
878 maxdist = (SequenceNode) node;
884 findMaxDist((SequenceNode) node.left());
885 findMaxDist((SequenceNode) node.right());
892 * @return DOCUMENT ME!
894 public Vector getGroups()
902 * @return DOCUMENT ME!
904 public float getMaxHeight()
912 * @param node DOCUMENT ME!
913 * @param threshold DOCUMENT ME!
915 public void groupNodes(SequenceNode node, float threshold)
922 if ((node.height / maxheight) > threshold)
924 groups.addElement(node);
928 groupNodes((SequenceNode) node.left(), threshold);
929 groupNodes((SequenceNode) node.right(), threshold);
936 * @param node DOCUMENT ME!
938 * @return DOCUMENT ME!
940 public float findHeight(SequenceNode node)
947 if ((node.left() == null) && (node.right() == null))
949 node.height = ((SequenceNode) node.parent()).height + node.dist;
951 if (node.height > maxheight)
962 if (node.parent() != null)
964 node.height = ((SequenceNode) node.parent()).height +
970 node.height = (float) 0.0;
973 maxheight = findHeight((SequenceNode) (node.left()));
974 maxheight = findHeight((SequenceNode) (node.right()));
983 * @return DOCUMENT ME!
985 public SequenceNode reRoot()
991 float tmpdist = maxdist.dist;
994 SequenceNode sn = new SequenceNode();
997 // New right hand of top
998 SequenceNode snr = (SequenceNode) maxdist.parent();
999 changeDirection(snr, maxdist);
1000 System.out.println("Printing reversed tree");
1002 snr.dist = tmpdist / 2;
1003 maxdist.dist = tmpdist / 2;
1006 maxdist.setParent(sn);
1009 sn.setLeft(maxdist);
1022 * @return true if original sequence data can be recovered
1024 public boolean hasOriginalSequenceData() {
1025 return seqData!=null;
1028 * Returns original alignment data used for calculation - or null where
1031 * @return null or cut'n'pasteable alignment
1033 public String printOriginalSequenceData(char gapChar)
1038 StringBuffer sb = new StringBuffer();
1039 String[] seqdatas = seqData.getSequenceStrings(gapChar);
1040 for(int i=0; i<seqdatas.length; i++)
1042 sb.append(new jalview.util.Format("%-" + 15 + "s").form(
1043 sequence[i].getName()));
1044 sb.append(" "+seqdatas[i]+"\n");
1046 return sb.toString();
1051 * @param node DOCUMENT ME!
1053 public void printN(SequenceNode node)
1060 if ((node.left() != null) && (node.right() != null))
1062 printN((SequenceNode) node.left());
1063 printN((SequenceNode) node.right());
1067 System.out.println(" name = " +
1068 ((SequenceI) node.element()).getName());
1071 System.out.println(" dist = " + ((SequenceNode) node).dist + " " +
1072 ((SequenceNode) node).count + " " + ((SequenceNode) node).height);
1078 * @param node DOCUMENT ME!
1080 public void reCount(SequenceNode node)
1089 * @param node DOCUMENT ME!
1091 public void _reCount(SequenceNode node)
1098 if ((node.left() != null) && (node.right() != null))
1100 _reCount((SequenceNode) node.left());
1101 _reCount((SequenceNode) node.right());
1103 SequenceNode l = (SequenceNode) node.left();
1104 SequenceNode r = (SequenceNode) node.right();
1106 ((SequenceNode) node).count = l.count + r.count;
1107 ((SequenceNode) node).ycount = (l.ycount + r.ycount) / 2;
1111 ((SequenceNode) node).count = 1;
1112 ((SequenceNode) node).ycount = ycount++;
1119 * @param node DOCUMENT ME!
1121 public void swapNodes(SequenceNode node)
1128 SequenceNode tmp = (SequenceNode) node.left();
1130 node.setLeft(node.right());
1137 * @param node DOCUMENT ME!
1138 * @param dir DOCUMENT ME!
1140 public void changeDirection(SequenceNode node, SequenceNode dir)
1147 if (node.parent() != top)
1149 changeDirection((SequenceNode) node.parent(), node);
1151 SequenceNode tmp = (SequenceNode) node.parent();
1153 if (dir == node.left())
1155 node.setParent(dir);
1158 else if (dir == node.right())
1160 node.setParent(dir);
1166 if (dir == node.left())
1168 node.setParent(node.left());
1170 if (top.left() == node)
1172 node.setRight(top.right());
1176 node.setRight(top.left());
1181 node.setParent(node.right());
1183 if (top.left() == node)
1185 node.setLeft(top.right());
1189 node.setLeft(top.left());
1199 * @return DOCUMENT ME!
1201 public SequenceNode getMaxDist()
1209 * @return DOCUMENT ME!
1211 public SequenceNode getTopNode()
1217 * @return true if tree has real distances
1219 public boolean isHasDistances() {
1220 return hasDistances;
1225 * @return true if tree has real bootstrap values
1227 public boolean isHasBootstrap() {
1228 return hasBootstrap;
1231 public boolean isHasRootDistance()
1233 return hasRootDistance;
1243 * @version $Revision$
1250 * Creates a new Cluster object.
1252 * @param value DOCUMENT ME!
1254 public Cluster(int[] value)