X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;ds=sidebyside;f=src%2Fjalview%2Fanalysis%2FNJTree.java;h=099400e546004c7e8abd22e0e5258617b8e98878;hb=e07fc11d5aaf4d1237d83e5f7ea0909dea09902e;hp=b1141c5ff2e80ca7b862ca2eb22608e67fb6577a;hpb=abbfeb71cd52eb9f5ce500c3dd5c0d3b32d4ecb1;p=jalview.git
diff --git a/src/jalview/analysis/NJTree.java b/src/jalview/analysis/NJTree.java
old mode 100755
new mode 100644
index b1141c5..099400e
--- a/src/jalview/analysis/NJTree.java
+++ b/src/jalview/analysis/NJTree.java
@@ -1,1260 +1,1321 @@
/*
-* Jalview - A Sequence Alignment Editor and Viewer
-* Copyright (C) 2006 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle
-*
-* This program is free software; you can redistribute it and/or
-* modify it under the terms of the GNU General Public License
-* as published by the Free Software Foundation; either version 2
-* of the License, or (at your option) any later version.
-*
-* This program is distributed in the hope that it will be useful,
-* but WITHOUT ANY WARRANTY; without even the implied warranty of
-* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
-* GNU General Public License for more details.
-*
-* You should have received a copy of the GNU General Public License
-* along with this program; if not, write to the Free Software
-* Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA
-*/
+ * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2)
+ * Copyright (C) 2014 The Jalview Authors
+ *
+ * This file is part of Jalview.
+ *
+ * Jalview is free software: you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation, either version 3
+ * of the License, or (at your option) any later version.
+ *
+ * Jalview is distributed in the hope that it will be useful, but
+ * WITHOUT ANY WARRANTY; without even the implied warranty
+ * of MERCHANTABILITY or FITNESS FOR A PARTICULAR
+ * PURPOSE. See the GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License
+ * along with Jalview. If not, see .
+ * The Jalview Authors are detailed in the 'AUTHORS' file.
+ */
package jalview.analysis;
-import jalview.datamodel.*;
-
+import jalview.api.analysis.ScoreModelI;
+import jalview.datamodel.AlignmentView;
+import jalview.datamodel.BinaryNode;
+import jalview.datamodel.CigarArray;
+import jalview.datamodel.NodeTransformI;
+import jalview.datamodel.SeqCigar;
+import jalview.datamodel.Sequence;
+import jalview.datamodel.SequenceI;
+import jalview.datamodel.SequenceNode;
import jalview.io.NewickFile;
-
import jalview.schemes.ResidueProperties;
-import jalview.util.*;
-
-import java.util.*;
-
+import java.util.Enumeration;
+import java.util.List;
+import java.util.Vector;
/**
* DOCUMENT ME!
- *
+ *
* @author $author$
* @version $Revision$
*/
public class NJTree
{
- Vector cluster;
- SequenceI[] sequence;
-
- //SequenceData is a string representation of what the user
- //sees. The display may contain hidden columns.
- public AlignmentView seqData=null;
-
- int[] done;
- int noseqs;
- int noClus;
- float[][] distance;
- int mini;
- int minj;
- float ri;
- float rj;
- Vector groups = new Vector();
- SequenceNode maxdist;
- SequenceNode top;
- float maxDistValue;
- float maxheight;
- int ycount;
- Vector node;
- String type;
- String pwtype;
- Object found = null;
- Object leaves = null;
-
- boolean hasDistances = true; // normal case for jalview trees
- boolean hasBootstrap = false; // normal case for jalview trees
-
- private boolean hasRootDistance = true;
+ Vector cluster;
- /**
- * Create a new NJTree object with leaves associated with sequences in seqs,
- * and original alignment data represented by Cigar strings.
- * @param seqs SequenceI[]
- * @param odata Cigar[]
- * @param treefile NewickFile
- */
- public NJTree(SequenceI[] seqs, AlignmentView odata, NewickFile treefile) {
- this(seqs, treefile);
- if (odata!=null)
- seqData = odata;
- /*
- sequenceString = new String[odata.length];
- char gapChar = jalview.util.Comparison.GapChars.charAt(0);
- for (int i = 0; i < odata.length; i++)
- {
- SequenceI oseq_aligned = odata[i].getSeq(gapChar);
- sequenceString[i] = oseq_aligned.getSequence();
- } */
- }
+ SequenceI[] sequence;
- /**
- * Creates a new NJTree object from a tree from an external source
- *
- * @param seqs SequenceI which should be associated with leafs of treefile
- * @param treefile A parsed tree
- */
- public NJTree(SequenceI[] seqs, NewickFile treefile)
- {
- this.sequence = seqs;
- top = treefile.getTree();
-
- /**
- * There is no dependent alignment to be recovered from an
- * imported tree.
- *
- if (sequenceString == null)
- {
- sequenceString = new String[seqs.length];
- for (int i = 0; i < seqs.length; i++)
- {
- sequenceString[i] = seqs[i].getSequence();
- }
- }
- */
+ // SequenceData is a string representation of what the user
+ // sees. The display may contain hidden columns.
+ public AlignmentView seqData = null;
- hasDistances = treefile.HasDistances();
- hasBootstrap = treefile.HasBootstrap();
- hasRootDistance = treefile.HasRootDistance();
+ int[] done;
- maxheight = findHeight(top);
+ int noseqs;
- SequenceIdMatcher algnIds = new SequenceIdMatcher(seqs);
+ int noClus;
- Vector leaves = new Vector();
- findLeaves(top, leaves);
+ float[][] distance;
- int i = 0;
- int namesleft = seqs.length;
+ int mini;
- SequenceNode j;
- SequenceI nam;
- String realnam;
- Vector one2many=new Vector();
- int countOne2Many=0;
- while (i < leaves.size())
- {
- j = (SequenceNode) leaves.elementAt(i++);
- realnam = j.getName();
- nam = null;
-
- if (namesleft > -1)
- {
- nam = algnIds.findIdMatch(realnam);
- }
-
- if (nam != null)
- {
- j.setElement(nam);
- if (one2many.contains(nam)) {
- countOne2Many++;
- // if (jalview.bin.Cache.log.isDebugEnabled())
- // jalview.bin.Cache.log.debug("One 2 many relationship for "+nam.getName());
- } else {
- one2many.addElement(nam);
- namesleft--;
- }
- }
- else
- {
- j.setElement(new Sequence(realnam, "THISISAPLACEHLDER"));
- j.setPlaceholder(true);
- }
- }
- // if (jalview.bin.Cache.log.isDebugEnabled() && countOne2Many>0) {
- // jalview.bin.Cache.log.debug("There were "+countOne2Many+" alignment sequence ids (out of "+one2many.size()+" unique ids) linked to two or more leaves.");
- // }
- // one2many.clear();
- }
+ int minj;
- /**
- * Creates a new NJTree object.
- *
- * @param sequence DOCUMENT ME!
- * @param type DOCUMENT ME!
- * @param pwtype DOCUMENT ME!
- * @param start DOCUMENT ME!
- * @param end DOCUMENT ME!
- */
- public NJTree(SequenceI[] sequence,
- AlignmentView seqData,
- String type,
- String pwtype,
- int start, int end)
- {
- this.sequence = sequence;
- this.node = new Vector();
- this.type = type;
- this.pwtype = pwtype;
- if (seqData!=null) {
- this.seqData = seqData;
- } else {
- SeqCigar[] seqs = new SeqCigar[sequence.length];
- for(int i=0; i -1)
+ {
+ nam = algnIds.findIdMatch(realnam);
+ }
- while (i < sz)
+ if (nam != null)
+ {
+ j.setElement(nam);
+ if (one2many.contains(nam))
+ {
+ countOne2Many++;
+ // if (jalview.bin.Cache.log.isDebugEnabled())
+ // jalview.bin.Cache.log.debug("One 2 many relationship for
+ // "+nam.getName());
+ }
+ else
{
- SequenceNode leaf = (SequenceNode) leaves.elementAt(i++);
-
- if (alignment.contains(leaf.element()))
- {
- leaf.setPlaceholder(false);
- }
- else
- {
- if (seqmatcher == null)
- {
- // Only create this the first time we need it
- SequenceI[] seqs = new SequenceI[alignment.size()];
-
- for (int j = 0; j < seqs.length; j++)
- seqs[j] = (SequenceI) alignment.elementAt(j);
-
- seqmatcher = new SequenceIdMatcher(seqs);
- }
-
- SequenceI nam = seqmatcher.findIdMatch(leaf.getName());
-
- if (nam != null)
- {
- leaf.setPlaceholder(false);
- leaf.setElement(nam);
- }
- else
- {
- leaf.setPlaceholder(true);
- }
- }
+ one2many.addElement(nam);
+ namesleft--;
}
+ }
+ else
+ {
+ j.setElement(new Sequence(realnam, "THISISAPLACEHLDER"));
+ j.setPlaceholder(true);
+ }
}
+ // if (jalview.bin.Cache.log.isDebugEnabled() && countOne2Many>0) {
+ // jalview.bin.Cache.log.debug("There were "+countOne2Many+" alignment
+ // sequence ids (out of "+one2many.size()+" unique ids) linked to two or
+ // more leaves.");
+ // }
+ // one2many.clear();
+ }
- /**
- * DOCUMENT ME!
- */
- public void cluster()
+ /**
+ * Creates a new NJTree object.
+ *
+ * @param sequence
+ * DOCUMENT ME!
+ * @param type
+ * DOCUMENT ME!
+ * @param pwtype
+ * DOCUMENT ME!
+ * @param start
+ * DOCUMENT ME!
+ * @param end
+ * DOCUMENT ME!
+ */
+ public NJTree(SequenceI[] sequence, AlignmentView seqData, String type,
+ String pwtype, ScoreModelI sm, int start, int end)
+ {
+ this.sequence = sequence;
+ this.node = new Vector();
+ this.type = type;
+ this.pwtype = pwtype;
+ if (seqData != null)
{
- while (noClus > 2)
- {
- if (type.equals("NJ"))
- {
- findMinNJDistance();
- }
- else
- {
- findMinDistance();
- }
+ this.seqData = seqData;
+ }
+ else
+ {
+ SeqCigar[] seqs = new SeqCigar[sequence.length];
+ for (int i = 0; i < sequence.length; i++)
+ {
+ seqs[i] = new SeqCigar(sequence[i], start, end);
+ }
+ CigarArray sdata = new CigarArray(seqs);
+ sdata.addOperation(CigarArray.M, end - start + 1);
+ this.seqData = new AlignmentView(sdata, start);
+ }
+ // System.err.println("Made seqData");// dbg
+ if (!(type.equals("NJ")))
+ {
+ type = "AV";
+ }
- Cluster c = joinClusters(mini, minj);
+ if (sm == null && !(pwtype.equals("PID")))
+ {
+ if (ResidueProperties.getScoreMatrix(pwtype) == null)
+ {
+ pwtype = "BLOSUM62";
+ }
+ }
- done[minj] = 1;
+ int i = 0;
- cluster.setElementAt(null, minj);
- cluster.setElementAt(c, mini);
+ done = new int[sequence.length];
- noClus--;
- }
+ while ((i < sequence.length) && (sequence[i] != null))
+ {
+ done[i] = 0;
+ i++;
+ }
- boolean onefound = false;
+ noseqs = i++;
- int one = -1;
- int two = -1;
+ distance = findDistances(sm);
+ // System.err.println("Made distances");// dbg
+ makeLeaves();
+ // System.err.println("Made leaves");// dbg
- for (int i = 0; i < noseqs; i++)
- {
- if (done[i] != 1)
- {
- if (onefound == false)
- {
- two = i;
- onefound = true;
- }
- else
- {
- one = i;
- }
- }
- }
+ noClus = cluster.size();
- joinClusters(one, two);
- top = (SequenceNode) (node.elementAt(one));
+ cluster();
+ // System.err.println("Made clusters");// dbg
- reCount(top);
- findHeight(top);
- findMaxDist(top);
- }
+ }
- /**
- * DOCUMENT ME!
- *
- * @param i DOCUMENT ME!
- * @param j DOCUMENT ME!
- *
- * @return DOCUMENT ME!
- */
- public Cluster joinClusters(int i, int j)
- {
- float dist = distance[i][j];
+ /**
+ * Generate a string representation of the Tree
+ *
+ * @return Newick File with all tree data available
+ */
+ public String toString()
+ {
+ jalview.io.NewickFile fout = new jalview.io.NewickFile(getTopNode());
- int noi = ((Cluster) cluster.elementAt(i)).value.length;
- int noj = ((Cluster) cluster.elementAt(j)).value.length;
+ return fout.print(isHasBootstrap(), isHasDistances(),
+ isHasRootDistance()); // output all data available for tree
+ }
- int[] value = new int[noi + noj];
+ /**
+ *
+ * used when the alignment associated to a tree has changed.
+ *
+ * @param list
+ * Sequence set to be associated with tree nodes
+ */
+ public void UpdatePlaceHolders(List list)
+ {
+ Vector leaves = new Vector();
+ findLeaves(top, leaves);
- for (int ii = 0; ii < noi; ii++)
- {
- value[ii] = ((Cluster) cluster.elementAt(i)).value[ii];
- }
+ int sz = leaves.size();
+ SequenceIdMatcher seqmatcher = null;
+ int i = 0;
- for (int ii = noi; ii < (noi + noj); ii++)
+ while (i < sz)
+ {
+ SequenceNode leaf = (SequenceNode) leaves.elementAt(i++);
+
+ if (list.contains(leaf.element()))
+ {
+ leaf.setPlaceholder(false);
+ }
+ else
+ {
+ if (seqmatcher == null)
{
- value[ii] = ((Cluster) cluster.elementAt(j)).value[ii - noi];
- }
+ // Only create this the first time we need it
+ SequenceI[] seqs = new SequenceI[list.size()];
+
+ for (int j = 0; j < seqs.length; j++)
+ {
+ seqs[j] = list.get(j);
+ }
- Cluster c = new Cluster(value);
+ seqmatcher = new SequenceIdMatcher(seqs);
+ }
- ri = findr(i, j);
- rj = findr(j, i);
+ SequenceI nam = seqmatcher.findIdMatch(leaf.getName());
- if (type.equals("NJ"))
+ if (nam != null)
{
- findClusterNJDistance(i, j);
+ if (!leaf.isPlaceholder())
+ {
+ // remapping the node to a new sequenceI - should remove any refs to
+ // old one.
+ // TODO - make many sequenceI to one leaf mappings possible!
+ // (JBPNote)
+ }
+ leaf.setPlaceholder(false);
+ leaf.setElement(nam);
}
else
{
- findClusterDistance(i, j);
- }
-
- SequenceNode sn = new SequenceNode();
+ if (!leaf.isPlaceholder())
+ {
+ // Construct a new placeholder sequence object for this leaf
+ leaf.setElement(new Sequence(leaf.getName(),
+ "THISISAPLACEHLDER"));
+ }
+ leaf.setPlaceholder(true);
- sn.setLeft((SequenceNode) (node.elementAt(i)));
- sn.setRight((SequenceNode) (node.elementAt(j)));
+ }
+ }
+ }
+ }
- SequenceNode tmpi = (SequenceNode) (node.elementAt(i));
- SequenceNode tmpj = (SequenceNode) (node.elementAt(j));
+ /**
+ * rename any nodes according to their associated sequence. This will modify
+ * the tree's metadata! (ie the original NewickFile or newly generated
+ * BinaryTree's label data)
+ */
+ public void renameAssociatedNodes()
+ {
+ applyToNodes(new NodeTransformI()
+ {
- if (type.equals("NJ"))
- {
- findNewNJDistances(tmpi, tmpj, dist);
- }
- else
+ @Override
+ public void transform(BinaryNode node)
+ {
+ Object el = node.element();
+ if (el != null && el instanceof SequenceI)
{
- findNewDistances(tmpi, tmpj, dist);
+ node.setName(((SequenceI) el).getName());
}
+ }
+ });
+ }
+
+ /**
+ * DOCUMENT ME!
+ */
+ public void cluster()
+ {
+ while (noClus > 2)
+ {
+ if (type.equals("NJ"))
+ {
+ findMinNJDistance();
+ }
+ else
+ {
+ findMinDistance();
+ }
- tmpi.setParent(sn);
- tmpj.setParent(sn);
+ Cluster c = joinClusters(mini, minj);
- node.setElementAt(sn, i);
+ done[minj] = 1;
- return c;
+ cluster.setElementAt(null, minj);
+ cluster.setElementAt(c, mini);
+
+ noClus--;
}
- /**
- * DOCUMENT ME!
- *
- * @param tmpi DOCUMENT ME!
- * @param tmpj DOCUMENT ME!
- * @param dist DOCUMENT ME!
- */
- public void findNewNJDistances(SequenceNode tmpi, SequenceNode tmpj,
- float dist)
- {
+ boolean onefound = false;
- tmpi.dist = ((dist + ri) - rj) / 2;
- tmpj.dist = (dist - tmpi.dist);
+ int one = -1;
+ int two = -1;
- if (tmpi.dist < 0)
+ for (int i = 0; i < noseqs; i++)
+ {
+ if (done[i] != 1)
+ {
+ if (onefound == false)
{
- tmpi.dist = 0;
+ two = i;
+ onefound = true;
}
-
- if (tmpj.dist < 0)
+ else
{
- tmpj.dist = 0;
+ one = i;
}
+ }
}
- /**
- * DOCUMENT ME!
- *
- * @param tmpi DOCUMENT ME!
- * @param tmpj DOCUMENT ME!
- * @param dist DOCUMENT ME!
- */
- public void findNewDistances(SequenceNode tmpi, SequenceNode tmpj,
- float dist)
- {
- float ih = 0;
- float jh = 0;
+ joinClusters(one, two);
+ top = (SequenceNode) (node.elementAt(one));
- SequenceNode sni = tmpi;
- SequenceNode snj = tmpj;
+ reCount(top);
+ findHeight(top);
+ findMaxDist(top);
+ }
- while (sni != null)
- {
- ih = ih + sni.dist;
- sni = (SequenceNode) sni.left();
- }
+ /**
+ * DOCUMENT ME!
+ *
+ * @param i
+ * DOCUMENT ME!
+ * @param j
+ * DOCUMENT ME!
+ *
+ * @return DOCUMENT ME!
+ */
+ public Cluster joinClusters(int i, int j)
+ {
+ float dist = distance[i][j];
- while (snj != null)
- {
- jh = jh + snj.dist;
- snj = (SequenceNode) snj.left();
- }
+ int noi = ((Cluster) cluster.elementAt(i)).value.length;
+ int noj = ((Cluster) cluster.elementAt(j)).value.length;
- tmpi.dist = ((dist / 2) - ih);
- tmpj.dist = ((dist / 2) - jh);
+ int[] value = new int[noi + noj];
+
+ for (int ii = 0; ii < noi; ii++)
+ {
+ value[ii] = ((Cluster) cluster.elementAt(i)).value[ii];
}
- /**
- * DOCUMENT ME!
- *
- * @param i DOCUMENT ME!
- * @param j DOCUMENT ME!
- */
- public void findClusterDistance(int i, int j)
+ for (int ii = noi; ii < (noi + noj); ii++)
{
- int noi = ((Cluster) cluster.elementAt(i)).value.length;
- int noj = ((Cluster) cluster.elementAt(j)).value.length;
+ value[ii] = ((Cluster) cluster.elementAt(j)).value[ii - noi];
+ }
- // New distances from cluster to others
- float[] newdist = new float[noseqs];
+ Cluster c = new Cluster(value);
- for (int l = 0; l < noseqs; l++)
- {
- if ((l != i) && (l != j))
- {
- newdist[l] = ((distance[i][l] * noi) + (distance[j][l] * noj)) / (noi +
- noj);
- }
- else
- {
- newdist[l] = 0;
- }
- }
+ ri = findr(i, j);
+ rj = findr(j, i);
- for (int ii = 0; ii < noseqs; ii++)
- {
- distance[i][ii] = newdist[ii];
- distance[ii][i] = newdist[ii];
- }
+ if (type.equals("NJ"))
+ {
+ findClusterNJDistance(i, j);
+ }
+ else
+ {
+ findClusterDistance(i, j);
}
- /**
- * DOCUMENT ME!
- *
- * @param i DOCUMENT ME!
- * @param j DOCUMENT ME!
- */
- public void findClusterNJDistance(int i, int j)
+ SequenceNode sn = new SequenceNode();
+
+ sn.setLeft((SequenceNode) (node.elementAt(i)));
+ sn.setRight((SequenceNode) (node.elementAt(j)));
+
+ SequenceNode tmpi = (SequenceNode) (node.elementAt(i));
+ SequenceNode tmpj = (SequenceNode) (node.elementAt(j));
+
+ if (type.equals("NJ"))
+ {
+ findNewNJDistances(tmpi, tmpj, dist);
+ }
+ else
{
+ findNewDistances(tmpi, tmpj, dist);
+ }
- // New distances from cluster to others
- float[] newdist = new float[noseqs];
+ tmpi.setParent(sn);
+ tmpj.setParent(sn);
- for (int l = 0; l < noseqs; l++)
- {
- if ((l != i) && (l != j))
- {
- newdist[l] = ((distance[i][l] + distance[j][l]) -
- distance[i][j]) / 2;
- }
- else
- {
- newdist[l] = 0;
- }
- }
+ node.setElementAt(sn, i);
- for (int ii = 0; ii < noseqs; ii++)
- {
- distance[i][ii] = newdist[ii];
- distance[ii][i] = newdist[ii];
- }
+ return c;
+ }
+
+ /**
+ * DOCUMENT ME!
+ *
+ * @param tmpi
+ * DOCUMENT ME!
+ * @param tmpj
+ * DOCUMENT ME!
+ * @param dist
+ * DOCUMENT ME!
+ */
+ public void findNewNJDistances(SequenceNode tmpi, SequenceNode tmpj,
+ float dist)
+ {
+
+ tmpi.dist = ((dist + ri) - rj) / 2;
+ tmpj.dist = (dist - tmpi.dist);
+
+ if (tmpi.dist < 0)
+ {
+ tmpi.dist = 0;
}
- /**
- * DOCUMENT ME!
- *
- * @param i DOCUMENT ME!
- * @param j DOCUMENT ME!
- *
- * @return DOCUMENT ME!
- */
- public float findr(int i, int j)
+ if (tmpj.dist < 0)
{
- float tmp = 1;
+ tmpj.dist = 0;
+ }
+ }
- for (int k = 0; k < noseqs; k++)
- {
- if ((k != i) && (k != j) && (done[k] != 1))
- {
- tmp = tmp + distance[i][k];
- }
- }
+ /**
+ * DOCUMENT ME!
+ *
+ * @param tmpi
+ * DOCUMENT ME!
+ * @param tmpj
+ * DOCUMENT ME!
+ * @param dist
+ * DOCUMENT ME!
+ */
+ public void findNewDistances(SequenceNode tmpi, SequenceNode tmpj,
+ float dist)
+ {
+ float ih = 0;
+ float jh = 0;
- if (noClus > 2)
- {
- tmp = tmp / (noClus - 2);
- }
+ SequenceNode sni = tmpi;
+ SequenceNode snj = tmpj;
- return tmp;
+ while (sni != null)
+ {
+ ih = ih + sni.dist;
+ sni = (SequenceNode) sni.left();
}
- /**
- * DOCUMENT ME!
- *
- * @return DOCUMENT ME!
- */
- public float findMinNJDistance()
+ while (snj != null)
{
- float min = 100000;
+ jh = jh + snj.dist;
+ snj = (SequenceNode) snj.left();
+ }
- for (int i = 0; i < (noseqs - 1); i++)
- {
- for (int j = i + 1; j < noseqs; j++)
- {
- if ((done[i] != 1) && (done[j] != 1))
- {
- float tmp = distance[i][j] - (findr(i, j) + findr(j, i));
-
- if (tmp < min)
- {
- mini = i;
- minj = j;
-
- min = tmp;
- }
- }
- }
- }
+ tmpi.dist = ((dist / 2) - ih);
+ tmpj.dist = ((dist / 2) - jh);
+ }
+
+ /**
+ * DOCUMENT ME!
+ *
+ * @param i
+ * DOCUMENT ME!
+ * @param j
+ * DOCUMENT ME!
+ */
+ public void findClusterDistance(int i, int j)
+ {
+ int noi = ((Cluster) cluster.elementAt(i)).value.length;
+ int noj = ((Cluster) cluster.elementAt(j)).value.length;
+
+ // New distances from cluster to others
+ float[] newdist = new float[noseqs];
- return min;
+ for (int l = 0; l < noseqs; l++)
+ {
+ if ((l != i) && (l != j))
+ {
+ newdist[l] = ((distance[i][l] * noi) + (distance[j][l] * noj))
+ / (noi + noj);
+ }
+ else
+ {
+ newdist[l] = 0;
+ }
}
- /**
- * DOCUMENT ME!
- *
- * @return DOCUMENT ME!
- */
- public float findMinDistance()
+ for (int ii = 0; ii < noseqs; ii++)
{
- float min = 100000;
+ distance[i][ii] = newdist[ii];
+ distance[ii][i] = newdist[ii];
+ }
+ }
- for (int i = 0; i < (noseqs - 1); i++)
- {
- for (int j = i + 1; j < noseqs; j++)
- {
- if ((done[i] != 1) && (done[j] != 1))
- {
- if (distance[i][j] < min)
- {
- mini = i;
- minj = j;
-
- min = distance[i][j];
- }
- }
- }
- }
+ /**
+ * DOCUMENT ME!
+ *
+ * @param i
+ * DOCUMENT ME!
+ * @param j
+ * DOCUMENT ME!
+ */
+ public void findClusterNJDistance(int i, int j)
+ {
- return min;
+ // New distances from cluster to others
+ float[] newdist = new float[noseqs];
+
+ for (int l = 0; l < noseqs; l++)
+ {
+ if ((l != i) && (l != j))
+ {
+ newdist[l] = ((distance[i][l] + distance[j][l]) - distance[i][j]) / 2;
+ }
+ else
+ {
+ newdist[l] = 0;
+ }
}
- /**
- * DOCUMENT ME!
- *
- * @return DOCUMENT ME!
- */
- public float[][] findDistances(String[] sequenceString)
+ for (int ii = 0; ii < noseqs; ii++)
{
- float[][] distance = new float[noseqs][noseqs];
+ distance[i][ii] = newdist[ii];
+ distance[ii][i] = newdist[ii];
+ }
+ }
- if (pwtype.equals("PID"))
- {
- for (int i = 0; i < (noseqs - 1); i++)
- {
- for (int j = i; j < noseqs; j++)
- {
- if (j == i)
- {
- distance[i][i] = 0;
- }
- else
- {
- distance[i][j] = 100 -
- Comparison.PID(sequenceString[i], sequenceString[j]);
-
- distance[j][i] = distance[i][j];
- }
- }
- }
- }
- else if (pwtype.equals("BL"))
- {
- int maxscore = 0;
- int end = sequenceString[0].length();
- for (int i = 0; i < (noseqs - 1); i++)
- {
- for (int j = i; j < noseqs; j++)
- {
- int score = 0;
-
- for (int k = 0; k < end; k++)
- {
- try
- {
- score += ResidueProperties.getBLOSUM62(
- sequenceString[i].substring(k, k + 1),
- sequenceString[j].substring(k, k + 1));
- }
- catch (Exception ex)
- {
- System.err.println("err creating BLOSUM62 tree");
- ex.printStackTrace();
- }
- }
-
- distance[i][j] = (float) score;
-
- if (score > maxscore)
- {
- maxscore = score;
- }
- }
- }
-
- for (int i = 0; i < (noseqs - 1); i++)
- {
- for (int j = i; j < noseqs; j++)
- {
- distance[i][j] = (float) maxscore - distance[i][j];
- distance[j][i] = distance[i][j];
- }
- }
- }
- /* else if (pwtype.equals("SW"))
- {
- float max = -1;
-
- for (int i = 0; i < (noseqs - 1); i++)
- {
- for (int j = i; j < noseqs; j++)
- {
- AlignSeq as = new AlignSeq(sequence[i], sequence[j], "pep");
- as.calcScoreMatrix();
- as.traceAlignment();
- as.printAlignment(System.out);
- distance[i][j] = (float) as.maxscore;
-
- if (max < distance[i][j])
- {
- max = distance[i][j];
- }
- }
- }
-
- for (int i = 0; i < (noseqs - 1); i++)
- {
- for (int j = i; j < noseqs; j++)
- {
- distance[i][j] = max - distance[i][j];
- distance[j][i] = distance[i][j];
- }
- }
- }/*/
-
- return distance;
+ /**
+ * DOCUMENT ME!
+ *
+ * @param i
+ * DOCUMENT ME!
+ * @param j
+ * DOCUMENT ME!
+ *
+ * @return DOCUMENT ME!
+ */
+ public float findr(int i, int j)
+ {
+ float tmp = 1;
+
+ for (int k = 0; k < noseqs; k++)
+ {
+ if ((k != i) && (k != j) && (done[k] != 1))
+ {
+ tmp = tmp + distance[i][k];
+ }
}
- /**
- * DOCUMENT ME!
- */
- public void makeLeaves()
+ if (noClus > 2)
{
- cluster = new Vector();
+ tmp = tmp / (noClus - 2);
+ }
- for (int i = 0; i < noseqs; i++)
- {
- SequenceNode sn = new SequenceNode();
+ return tmp;
+ }
+
+ /**
+ * DOCUMENT ME!
+ *
+ * @return DOCUMENT ME!
+ */
+ public float findMinNJDistance()
+ {
+ float min = 100000;
- sn.setElement(sequence[i]);
- sn.setName(sequence[i].getName());
- node.addElement(sn);
+ for (int i = 0; i < (noseqs - 1); i++)
+ {
+ for (int j = i + 1; j < noseqs; j++)
+ {
+ if ((done[i] != 1) && (done[j] != 1))
+ {
+ float tmp = distance[i][j] - (findr(i, j) + findr(j, i));
- int[] value = new int[1];
- value[0] = i;
+ if (tmp < min)
+ {
+ mini = i;
+ minj = j;
- Cluster c = new Cluster(value);
- cluster.addElement(c);
+ min = tmp;
+ }
}
+ }
}
- /**
- * DOCUMENT ME!
- *
- * @param node DOCUMENT ME!
- * @param leaves DOCUMENT ME!
- *
- * @return DOCUMENT ME!
- */
- public Vector findLeaves(SequenceNode node, Vector leaves)
+ return min;
+ }
+
+ /**
+ * DOCUMENT ME!
+ *
+ * @return DOCUMENT ME!
+ */
+ public float findMinDistance()
+ {
+ float min = 100000;
+
+ for (int i = 0; i < (noseqs - 1); i++)
{
- if (node == null)
+ for (int j = i + 1; j < noseqs; j++)
+ {
+ if ((done[i] != 1) && (done[j] != 1))
{
- return leaves;
+ if (distance[i][j] < min)
+ {
+ mini = i;
+ minj = j;
+
+ min = distance[i][j];
+ }
}
+ }
+ }
- if ((node.left() == null) && (node.right() == null))
- {
- leaves.addElement(node);
+ return min;
+ }
- return leaves;
- }
- else
- {
- findLeaves((SequenceNode) node.left(), leaves);
- findLeaves((SequenceNode) node.right(), leaves);
- }
+ /**
+ * Calculate a distance matrix given the sequence input data and score model
+ *
+ * @return similarity matrix used to compute tree
+ */
+ public float[][] findDistances(ScoreModelI _pwmatrix)
+ {
- return leaves;
+ float[][] distance = new float[noseqs][noseqs];
+ if (_pwmatrix == null)
+ {
+ // Resolve substitution model
+ _pwmatrix = ResidueProperties.getScoreModel(pwtype);
+ if (_pwmatrix == null)
+ {
+ _pwmatrix = ResidueProperties.getScoreMatrix("BLOSUM62");
+ }
}
+ distance = _pwmatrix.findDistances(seqData);
+ return distance;
- /**
- * DOCUMENT ME!
- *
- * @param node DOCUMENT ME!
- * @param count DOCUMENT ME!
- *
- * @return DOCUMENT ME!
- */
- public Object findLeaf(SequenceNode node, int count)
+ }
+
+ /**
+ * DOCUMENT ME!
+ */
+ public void makeLeaves()
+ {
+ cluster = new Vector();
+
+ for (int i = 0; i < noseqs; i++)
{
- found = _findLeaf(node, count);
+ SequenceNode sn = new SequenceNode();
+
+ sn.setElement(sequence[i]);
+ sn.setName(sequence[i].getName());
+ node.addElement(sn);
- return found;
+ int[] value = new int[1];
+ value[0] = i;
+
+ Cluster c = new Cluster(value);
+ cluster.addElement(c);
}
+ }
- /**
- * DOCUMENT ME!
- *
- * @param node DOCUMENT ME!
- * @param count DOCUMENT ME!
- *
- * @return DOCUMENT ME!
- */
- public Object _findLeaf(SequenceNode node, int count)
+ /**
+ * Search for leaf nodes.
+ *
+ * @param node
+ * root node to search from
+ * @param leaves
+ * Vector of leaves to add leaf node objects too.
+ *
+ * @return Vector of leaf nodes on binary tree
+ */
+ public Vector findLeaves(SequenceNode node, Vector leaves)
+ {
+ if (node == null)
{
- if (node == null)
- {
- return null;
- }
+ return leaves;
+ }
- if (node.ycount == count)
- {
- found = node.element();
+ if ((node.left() == null) && (node.right() == null)) // Interior node
+ // detection
+ {
+ leaves.addElement(node);
- return found;
- }
- else
- {
- _findLeaf((SequenceNode) node.left(), count);
- _findLeaf((SequenceNode) node.right(), count);
- }
+ return leaves;
+ }
+ else
+ {
+ /*
+ * TODO: Identify internal nodes... if (node.isSequenceLabel()) {
+ * leaves.addElement(node); }
+ */
+ findLeaves((SequenceNode) node.left(), leaves);
+ findLeaves((SequenceNode) node.right(), leaves);
+ }
+
+ return leaves;
+ }
+
+ /**
+ * Find the leaf node with a particular ycount
+ *
+ * @param node
+ * initial point on tree to search from
+ * @param count
+ * value to search for
+ *
+ * @return null or the node with ycound=count
+ */
+ public Object findLeaf(SequenceNode node, int count)
+ {
+ found = _findLeaf(node, count);
+
+ return found;
+ }
- return found;
+ /*
+ * #see findLeaf(SequenceNode node, count)
+ */
+ public Object _findLeaf(SequenceNode node, int count)
+ {
+ if (node == null)
+ {
+ return null;
}
- /**
- * printNode is mainly for debugging purposes.
- *
- * @param node SequenceNode
- */
- public void printNode(SequenceNode node)
+ if (node.ycount == count)
{
- if (node == null)
- {
- return;
- }
+ found = node.element();
- if ((node.left() == null) && (node.right() == null))
- {
- System.out.println("Leaf = " +
- ((SequenceI) node.element()).getName());
- System.out.println("Dist " + ((SequenceNode) node).dist);
- System.out.println("Boot " + node.getBootstrap());
- }
- else
- {
- System.out.println("Dist " + ((SequenceNode) node).dist);
- printNode((SequenceNode) node.left());
- printNode((SequenceNode) node.right());
- }
+ return found;
}
-
- /**
- * DOCUMENT ME!
- *
- * @param node DOCUMENT ME!
- */
- public void findMaxDist(SequenceNode node)
+ else
{
- if (node == null)
- {
- return;
- }
+ _findLeaf((SequenceNode) node.left(), count);
+ _findLeaf((SequenceNode) node.right(), count);
+ }
- if ((node.left() == null) && (node.right() == null))
- {
- float dist = ((SequenceNode) node).dist;
+ return found;
+ }
- if (dist > maxDistValue)
- {
- maxdist = (SequenceNode) node;
- maxDistValue = dist;
- }
- }
- else
- {
- findMaxDist((SequenceNode) node.left());
- findMaxDist((SequenceNode) node.right());
- }
+ /**
+ * printNode is mainly for debugging purposes.
+ *
+ * @param node
+ * SequenceNode
+ */
+ public void printNode(SequenceNode node)
+ {
+ if (node == null)
+ {
+ return;
}
- /**
- * DOCUMENT ME!
- *
- * @return DOCUMENT ME!
- */
- public Vector getGroups()
+ if ((node.left() == null) && (node.right() == null))
{
- return groups;
+ System.out
+ .println("Leaf = " + ((SequenceI) node.element()).getName());
+ System.out.println("Dist " + node.dist);
+ System.out.println("Boot " + node.getBootstrap());
}
+ else
+ {
+ System.out.println("Dist " + node.dist);
+ printNode((SequenceNode) node.left());
+ printNode((SequenceNode) node.right());
+ }
+ }
- /**
- * DOCUMENT ME!
- *
- * @return DOCUMENT ME!
- */
- public float getMaxHeight()
+ /**
+ * DOCUMENT ME!
+ *
+ * @param node
+ * DOCUMENT ME!
+ */
+ public void findMaxDist(SequenceNode node)
+ {
+ if (node == null)
{
- return maxheight;
+ return;
}
- /**
- * DOCUMENT ME!
- *
- * @param node DOCUMENT ME!
- * @param threshold DOCUMENT ME!
- */
- public void groupNodes(SequenceNode node, float threshold)
+ if ((node.left() == null) && (node.right() == null))
{
- if (node == null)
- {
- return;
- }
+ float dist = node.dist;
- if ((node.height / maxheight) > threshold)
- {
- groups.addElement(node);
- }
- else
- {
- groupNodes((SequenceNode) node.left(), threshold);
- groupNodes((SequenceNode) node.right(), threshold);
- }
+ if (dist > maxDistValue)
+ {
+ maxdist = node;
+ maxDistValue = dist;
+ }
+ }
+ else
+ {
+ findMaxDist((SequenceNode) node.left());
+ findMaxDist((SequenceNode) node.right());
}
+ }
- /**
- * DOCUMENT ME!
- *
- * @param node DOCUMENT ME!
- *
- * @return DOCUMENT ME!
- */
- public float findHeight(SequenceNode node)
+ /**
+ * DOCUMENT ME!
+ *
+ * @return DOCUMENT ME!
+ */
+ public Vector getGroups()
+ {
+ return groups;
+ }
+
+ /**
+ * DOCUMENT ME!
+ *
+ * @return DOCUMENT ME!
+ */
+ public float getMaxHeight()
+ {
+ return maxheight;
+ }
+
+ /**
+ * DOCUMENT ME!
+ *
+ * @param node
+ * DOCUMENT ME!
+ * @param threshold
+ * DOCUMENT ME!
+ */
+ public void groupNodes(SequenceNode node, float threshold)
+ {
+ if (node == null)
{
- if (node == null)
- {
- return maxheight;
- }
+ return;
+ }
- if ((node.left() == null) && (node.right() == null))
- {
- node.height = ((SequenceNode) node.parent()).height + node.dist;
-
- if (node.height > maxheight)
- {
- return node.height;
- }
- else
- {
- return maxheight;
- }
- }
- else
- {
- if (node.parent() != null)
- {
- node.height = ((SequenceNode) node.parent()).height +
- node.dist;
- }
- else
- {
- maxheight = 0;
- node.height = (float) 0.0;
- }
-
- maxheight = findHeight((SequenceNode) (node.left()));
- maxheight = findHeight((SequenceNode) (node.right()));
- }
+ if ((node.height / maxheight) > threshold)
+ {
+ groups.addElement(node);
+ }
+ else
+ {
+ groupNodes((SequenceNode) node.left(), threshold);
+ groupNodes((SequenceNode) node.right(), threshold);
+ }
+ }
+ /**
+ * DOCUMENT ME!
+ *
+ * @param node
+ * DOCUMENT ME!
+ *
+ * @return DOCUMENT ME!
+ */
+ public float findHeight(SequenceNode node)
+ {
+ if (node == null)
+ {
+ return maxheight;
+ }
+
+ if ((node.left() == null) && (node.right() == null))
+ {
+ node.height = ((SequenceNode) node.parent()).height + node.dist;
+
+ if (node.height > maxheight)
+ {
+ return node.height;
+ }
+ else
+ {
return maxheight;
+ }
}
+ else
+ {
+ if (node.parent() != null)
+ {
+ node.height = ((SequenceNode) node.parent()).height + node.dist;
+ }
+ else
+ {
+ maxheight = 0;
+ node.height = (float) 0.0;
+ }
- /**
- * DOCUMENT ME!
- *
- * @return DOCUMENT ME!
- */
- public SequenceNode reRoot()
+ maxheight = findHeight((SequenceNode) (node.left()));
+ maxheight = findHeight((SequenceNode) (node.right()));
+ }
+
+ return maxheight;
+ }
+
+ /**
+ * DOCUMENT ME!
+ *
+ * @return DOCUMENT ME!
+ */
+ public SequenceNode reRoot()
+ {
+ if (maxdist != null)
{
- if (maxdist != null)
- {
- ycount = 0;
+ ycount = 0;
- float tmpdist = maxdist.dist;
+ float tmpdist = maxdist.dist;
- // New top
- SequenceNode sn = new SequenceNode();
- sn.setParent(null);
+ // New top
+ SequenceNode sn = new SequenceNode();
+ sn.setParent(null);
- // New right hand of top
- SequenceNode snr = (SequenceNode) maxdist.parent();
- changeDirection(snr, maxdist);
- System.out.println("Printing reversed tree");
- printN(snr);
- snr.dist = tmpdist / 2;
- maxdist.dist = tmpdist / 2;
+ // New right hand of top
+ SequenceNode snr = (SequenceNode) maxdist.parent();
+ changeDirection(snr, maxdist);
+ System.out.println("Printing reversed tree");
+ printN(snr);
+ snr.dist = tmpdist / 2;
+ maxdist.dist = tmpdist / 2;
- snr.setParent(sn);
- maxdist.setParent(sn);
+ snr.setParent(sn);
+ maxdist.setParent(sn);
- sn.setRight(snr);
- sn.setLeft(maxdist);
+ sn.setRight(snr);
+ sn.setLeft(maxdist);
- top = sn;
+ top = sn;
- ycount = 0;
- reCount(top);
- findHeight(top);
- }
+ ycount = 0;
+ reCount(top);
+ findHeight(top);
+ }
+
+ return top;
+ }
- return top;
+ /**
+ *
+ * @return true if original sequence data can be recovered
+ */
+ public boolean hasOriginalSequenceData()
+ {
+ return seqData != null;
+ }
+
+ /**
+ * Returns original alignment data used for calculation - or null where not
+ * available.
+ *
+ * @return null or cut'n'pasteable alignment
+ */
+ public String printOriginalSequenceData(char gapChar)
+ {
+ if (seqData == null)
+ {
+ return null;
}
- /**
- *
- * @return true if original sequence data can be recovered
- */
- public boolean hasOriginalSequenceData() {
- return seqData!=null;
+
+ StringBuffer sb = new StringBuffer();
+ String[] seqdatas = seqData.getSequenceStrings(gapChar);
+ for (int i = 0; i < seqdatas.length; i++)
+ {
+ sb.append(new jalview.util.Format("%-" + 15 + "s").form(sequence[i]
+ .getName()));
+ sb.append(" " + seqdatas[i] + "\n");
}
- /**
- * Returns original alignment data used for calculation - or null where
- * not available.
- *
- * @return null or cut'n'pasteable alignment
- */
- public String printOriginalSequenceData(char gapChar)
+ return sb.toString();
+ }
+
+ /**
+ * DOCUMENT ME!
+ *
+ * @param node
+ * DOCUMENT ME!
+ */
+ public void printN(SequenceNode node)
+ {
+ if (node == null)
{
- if (seqData==null)
- return null;
+ return;
+ }
- StringBuffer sb = new StringBuffer();
- String[] seqdatas = seqData.getSequenceStrings(gapChar);
- for(int i=0; i