2 * Jalview - A Sequence Alignment Editor and Viewer
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3 * Copyright (C) 2005 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle
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5 * This program is free software; you can redistribute it and/or
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6 * modify it under the terms of the GNU General Public License
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7 * as published by the Free Software Foundation; either version 2
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8 * of the License, or (at your option) any later version.
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10 * This program is distributed in the hope that it will be useful,
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11 * but WITHOUT ANY WARRANTY; without even the implied warranty of
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12 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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13 * GNU General Public License for more details.
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15 * You should have received a copy of the GNU General Public License
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16 * along with this program; if not, write to the Free Software
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17 * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA
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19 package jalview.analysis;
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23 import jalview.datamodel.*;
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24 import jalview.io.*;
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25 import jalview.schemes.*;
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26 import jalview.util.*;
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33 * @version $Revision$
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38 SequenceI[] sequence;
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47 Vector groups = new Vector();
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48 SequenceNode maxdist;
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56 Object found = null;
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57 Object leaves = null;
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60 boolean hasDistances = true; // normal case for jalview trees
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61 boolean hasBootstrap = false; // normal case for jalview trees
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63 private boolean hasRootDistance = true;
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66 * Creates a new NJTree object.
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68 * @param node DOCUMENT ME!
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70 public NJTree(SequenceNode node)
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73 maxheight = findHeight(top);
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77 * Creates a new NJTree object.
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79 * @param seqs DOCUMENT ME!
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80 * @param treefile DOCUMENT ME!
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82 public NJTree(SequenceI[] seqs, NewickFile treefile)
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84 top = treefile.getTree();
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86 hasDistances = treefile.HasDistances();
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87 hasBootstrap = treefile.HasBootstrap();
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88 hasRootDistance = treefile.HasRootDistance();
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90 maxheight = findHeight(top);
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92 SequenceIdMatcher algnIds = new SequenceIdMatcher(seqs);
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94 Vector leaves = new Vector();
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95 findLeaves(top, leaves);
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98 int namesleft = seqs.length;
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104 while (i < leaves.size())
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106 j = (SequenceNode) leaves.elementAt(i++);
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107 realnam = j.getName();
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110 if (namesleft > -1)
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112 nam = algnIds.findIdMatch(realnam);
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122 j.setElement(new Sequence(realnam, "THISISAPLACEHLDER"));
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123 j.setPlaceholder(true);
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129 * Creates a new NJTree object.
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131 * @param sequence DOCUMENT ME!
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132 * @param start DOCUMENT ME!
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133 * @param end DOCUMENT ME!
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135 public NJTree(SequenceI[] sequence, int start, int end)
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137 this(sequence, "NJ", "BL", start, end);
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141 * Creates a new NJTree object.
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143 * @param sequence DOCUMENT ME!
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144 * @param type DOCUMENT ME!
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145 * @param pwtype DOCUMENT ME!
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146 * @param start DOCUMENT ME!
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147 * @param end DOCUMENT ME!
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149 public NJTree(SequenceI[] sequence, String type, String pwtype, int start,
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152 this.sequence = sequence;
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153 this.node = new Vector();
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155 this.pwtype = pwtype;
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156 this.start = start;
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159 if (!(type.equals("NJ")))
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164 if (!(pwtype.equals("PID")))
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171 done = new int[sequence.length];
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173 while ((i < sequence.length) && (sequence[i] != null))
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181 distance = findDistances();
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185 noClus = cluster.size();
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193 * @return DOCUMENT ME!
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195 public String toString()
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197 jalview.io.NewickFile fout = new jalview.io.NewickFile(getTopNode());
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199 return fout.print(false, true); // distances only
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204 * used when the alignment associated to a tree has changed.
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206 * @param alignment Vector
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208 public void UpdatePlaceHolders(Vector alignment)
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210 Vector leaves = new Vector();
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211 findLeaves(top, leaves);
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213 int sz = leaves.size();
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214 SequenceIdMatcher seqmatcher = null;
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219 SequenceNode leaf = (SequenceNode) leaves.elementAt(i++);
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221 if (alignment.contains(leaf.element()))
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223 leaf.setPlaceholder(false);
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227 if (seqmatcher == null)
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229 // Only create this the first time we need it
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230 SequenceI[] seqs = new SequenceI[alignment.size()];
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232 for (int j = 0; j < seqs.length; j++)
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233 seqs[j] = (SequenceI) alignment.elementAt(j);
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235 seqmatcher = new SequenceIdMatcher(seqs);
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238 SequenceI nam = seqmatcher.findIdMatch(leaf.getName());
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242 leaf.setPlaceholder(false);
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243 leaf.setElement(nam);
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247 leaf.setPlaceholder(true);
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256 public void cluster()
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260 if (type.equals("NJ"))
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262 findMinNJDistance();
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269 Cluster c = joinClusters(mini, minj);
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273 cluster.setElementAt(null, minj);
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274 cluster.setElementAt(c, mini);
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279 boolean onefound = false;
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284 for (int i = 0; i < noseqs; i++)
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288 if (onefound == false)
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300 joinClusters(one, two);
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301 top = (SequenceNode) (node.elementAt(one));
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311 * @param i DOCUMENT ME!
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312 * @param j DOCUMENT ME!
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314 * @return DOCUMENT ME!
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316 public Cluster joinClusters(int i, int j)
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318 float dist = distance[i][j];
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320 int noi = ((Cluster) cluster.elementAt(i)).value.length;
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321 int noj = ((Cluster) cluster.elementAt(j)).value.length;
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323 int[] value = new int[noi + noj];
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325 for (int ii = 0; ii < noi; ii++)
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327 value[ii] = ((Cluster) cluster.elementAt(i)).value[ii];
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330 for (int ii = noi; ii < (noi + noj); ii++)
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332 value[ii] = ((Cluster) cluster.elementAt(j)).value[ii - noi];
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335 Cluster c = new Cluster(value);
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340 if (type.equals("NJ"))
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342 findClusterNJDistance(i, j);
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346 findClusterDistance(i, j);
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349 SequenceNode sn = new SequenceNode();
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351 sn.setLeft((SequenceNode) (node.elementAt(i)));
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352 sn.setRight((SequenceNode) (node.elementAt(j)));
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354 SequenceNode tmpi = (SequenceNode) (node.elementAt(i));
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355 SequenceNode tmpj = (SequenceNode) (node.elementAt(j));
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357 if (type.equals("NJ"))
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359 findNewNJDistances(tmpi, tmpj, dist);
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363 findNewDistances(tmpi, tmpj, dist);
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366 tmpi.setParent(sn);
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367 tmpj.setParent(sn);
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369 node.setElementAt(sn, i);
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377 * @param tmpi DOCUMENT ME!
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378 * @param tmpj DOCUMENT ME!
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379 * @param dist DOCUMENT ME!
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381 public void findNewNJDistances(SequenceNode tmpi, SequenceNode tmpj,
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385 tmpi.dist = ((dist + ri) - rj) / 2;
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386 tmpj.dist = (dist - tmpi.dist);
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402 * @param tmpi DOCUMENT ME!
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403 * @param tmpj DOCUMENT ME!
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404 * @param dist DOCUMENT ME!
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406 public void findNewDistances(SequenceNode tmpi, SequenceNode tmpj,
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412 SequenceNode sni = tmpi;
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413 SequenceNode snj = tmpj;
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415 while (sni != null)
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417 ih = ih + sni.dist;
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418 sni = (SequenceNode) sni.left();
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421 while (snj != null)
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423 jh = jh + snj.dist;
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424 snj = (SequenceNode) snj.left();
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427 tmpi.dist = ((dist / 2) - ih);
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428 tmpj.dist = ((dist / 2) - jh);
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434 * @param i DOCUMENT ME!
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435 * @param j DOCUMENT ME!
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437 public void findClusterDistance(int i, int j)
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439 int noi = ((Cluster) cluster.elementAt(i)).value.length;
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440 int noj = ((Cluster) cluster.elementAt(j)).value.length;
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442 // New distances from cluster to others
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443 float[] newdist = new float[noseqs];
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445 for (int l = 0; l < noseqs; l++)
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447 if ((l != i) && (l != j))
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449 newdist[l] = ((distance[i][l] * noi) + (distance[j][l] * noj)) / (noi +
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458 for (int ii = 0; ii < noseqs; ii++)
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460 distance[i][ii] = newdist[ii];
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461 distance[ii][i] = newdist[ii];
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468 * @param i DOCUMENT ME!
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469 * @param j DOCUMENT ME!
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471 public void findClusterNJDistance(int i, int j)
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474 // New distances from cluster to others
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475 float[] newdist = new float[noseqs];
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477 for (int l = 0; l < noseqs; l++)
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479 if ((l != i) && (l != j))
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481 newdist[l] = ((distance[i][l] + distance[j][l]) -
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482 distance[i][j]) / 2;
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490 for (int ii = 0; ii < noseqs; ii++)
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492 distance[i][ii] = newdist[ii];
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493 distance[ii][i] = newdist[ii];
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500 * @param i DOCUMENT ME!
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501 * @param j DOCUMENT ME!
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503 * @return DOCUMENT ME!
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505 public float findr(int i, int j)
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509 for (int k = 0; k < noseqs; k++)
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511 if ((k != i) && (k != j) && (done[k] != 1))
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513 tmp = tmp + distance[i][k];
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519 tmp = tmp / (noClus - 2);
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528 * @return DOCUMENT ME!
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530 public float findMinNJDistance()
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532 float min = 100000;
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534 for (int i = 0; i < (noseqs - 1); i++)
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536 for (int j = i + 1; j < noseqs; j++)
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538 if ((done[i] != 1) && (done[j] != 1))
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540 float tmp = distance[i][j] - (findr(i, j) + findr(j, i));
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559 * @return DOCUMENT ME!
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561 public float findMinDistance()
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563 float min = 100000;
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565 for (int i = 0; i < (noseqs - 1); i++)
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567 for (int j = i + 1; j < noseqs; j++)
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569 if ((done[i] != 1) && (done[j] != 1))
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571 if (distance[i][j] < min)
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576 min = distance[i][j];
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588 * @return DOCUMENT ME!
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590 public float[][] findDistances()
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592 float[][] distance = new float[noseqs][noseqs];
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594 if (pwtype.equals("PID"))
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596 for (int i = 0; i < (noseqs - 1); i++)
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598 for (int j = i; j < noseqs; j++)
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602 distance[i][i] = 0;
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606 distance[i][j] = 100 -
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607 Comparison.PID(sequence[i], sequence[j], start, end);
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608 distance[j][i] = distance[i][j];
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613 else if (pwtype.equals("BL"))
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617 for (int i = 0; i < (noseqs - 1); i++)
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619 for (int j = i; j < noseqs; j++)
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623 for (int k = start; k < end; k++)
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627 score += ResidueProperties.getBLOSUM62(sequence[i].getSequence(
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628 k, k + 1), sequence[j].getSequence(k, k +
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631 catch (Exception ex)
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633 System.err.println("err creating BLOSUM62 tree");
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634 ex.printStackTrace();
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638 distance[i][j] = (float) score;
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640 if (score > maxscore)
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647 for (int i = 0; i < (noseqs - 1); i++)
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649 for (int j = i; j < noseqs; j++)
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651 distance[i][j] = (float) maxscore - distance[i][j];
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652 distance[j][i] = distance[i][j];
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656 else if (pwtype.equals("SW"))
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660 for (int i = 0; i < (noseqs - 1); i++)
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662 for (int j = i; j < noseqs; j++)
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664 AlignSeq as = new AlignSeq(sequence[i], sequence[j], "pep");
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665 as.calcScoreMatrix();
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666 as.traceAlignment();
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667 as.printAlignment();
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668 distance[i][j] = (float) as.maxscore;
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670 if (max < distance[i][j])
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672 max = distance[i][j];
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677 for (int i = 0; i < (noseqs - 1); i++)
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679 for (int j = i; j < noseqs; j++)
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681 distance[i][j] = max - distance[i][j];
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682 distance[j][i] = distance[i][j];
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693 public void makeLeaves()
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695 cluster = new Vector();
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697 for (int i = 0; i < noseqs; i++)
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699 SequenceNode sn = new SequenceNode();
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701 sn.setElement(sequence[i]);
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702 sn.setName(sequence[i].getName());
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703 node.addElement(sn);
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705 int[] value = new int[1];
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708 Cluster c = new Cluster(value);
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709 cluster.addElement(c);
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716 * @param node DOCUMENT ME!
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717 * @param leaves DOCUMENT ME!
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719 * @return DOCUMENT ME!
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721 public Vector findLeaves(SequenceNode node, Vector leaves)
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728 if ((node.left() == null) && (node.right() == null))
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730 leaves.addElement(node);
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736 findLeaves((SequenceNode) node.left(), leaves);
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737 findLeaves((SequenceNode) node.right(), leaves);
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746 * @param node DOCUMENT ME!
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747 * @param count DOCUMENT ME!
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749 * @return DOCUMENT ME!
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751 public Object findLeaf(SequenceNode node, int count)
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753 found = _findLeaf(node, count);
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761 * @param node DOCUMENT ME!
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762 * @param count DOCUMENT ME!
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764 * @return DOCUMENT ME!
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766 public Object _findLeaf(SequenceNode node, int count)
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773 if (node.ycount == count)
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775 found = node.element();
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781 _findLeaf((SequenceNode) node.left(), count);
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782 _findLeaf((SequenceNode) node.right(), count);
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789 * printNode is mainly for debugging purposes.
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791 * @param node SequenceNode
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793 public void printNode(SequenceNode node)
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800 if ((node.left() == null) && (node.right() == null))
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802 System.out.println("Leaf = " +
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803 ((SequenceI) node.element()).getName());
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804 System.out.println("Dist " + ((SequenceNode) node).dist);
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805 System.out.println("Boot " + node.getBootstrap());
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809 System.out.println("Dist " + ((SequenceNode) node).dist);
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810 printNode((SequenceNode) node.left());
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811 printNode((SequenceNode) node.right());
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818 * @param node DOCUMENT ME!
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820 public void findMaxDist(SequenceNode node)
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827 if ((node.left() == null) && (node.right() == null))
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829 float dist = ((SequenceNode) node).dist;
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831 if (dist > maxDistValue)
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833 maxdist = (SequenceNode) node;
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834 maxDistValue = dist;
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839 findMaxDist((SequenceNode) node.left());
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840 findMaxDist((SequenceNode) node.right());
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847 * @return DOCUMENT ME!
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849 public Vector getGroups()
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857 * @return DOCUMENT ME!
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859 public float getMaxHeight()
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867 * @param node DOCUMENT ME!
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868 * @param threshold DOCUMENT ME!
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870 public void groupNodes(SequenceNode node, float threshold)
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877 if ((node.height / maxheight) > threshold)
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879 groups.addElement(node);
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883 groupNodes((SequenceNode) node.left(), threshold);
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884 groupNodes((SequenceNode) node.right(), threshold);
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891 * @param node DOCUMENT ME!
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893 * @return DOCUMENT ME!
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895 public float findHeight(SequenceNode node)
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902 if ((node.left() == null) && (node.right() == null))
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904 node.height = ((SequenceNode) node.parent()).height + node.dist;
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906 if (node.height > maxheight)
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908 return node.height;
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917 if (node.parent() != null)
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919 node.height = ((SequenceNode) node.parent()).height +
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925 node.height = (float) 0.0;
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928 maxheight = findHeight((SequenceNode) (node.left()));
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929 maxheight = findHeight((SequenceNode) (node.right()));
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938 * @return DOCUMENT ME!
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940 public SequenceNode reRoot()
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942 if (maxdist != null)
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946 float tmpdist = maxdist.dist;
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949 SequenceNode sn = new SequenceNode();
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950 sn.setParent(null);
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952 // New right hand of top
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953 SequenceNode snr = (SequenceNode) maxdist.parent();
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954 changeDirection(snr, maxdist);
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955 System.out.println("Printing reversed tree");
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957 snr.dist = tmpdist / 2;
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958 maxdist.dist = tmpdist / 2;
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961 maxdist.setParent(sn);
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964 sn.setLeft(maxdist);
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979 * @param node DOCUMENT ME!
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981 public static void printN(SequenceNode node)
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988 if ((node.left() != null) && (node.right() != null))
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990 printN((SequenceNode) node.left());
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991 printN((SequenceNode) node.right());
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995 System.out.println(" name = " +
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996 ((SequenceI) node.element()).getName());
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999 System.out.println(" dist = " + ((SequenceNode) node).dist + " " +
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1000 ((SequenceNode) node).count + " " + ((SequenceNode) node).height);
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1006 * @param node DOCUMENT ME!
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1008 public void reCount(SequenceNode node)
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1017 * @param node DOCUMENT ME!
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1019 public void _reCount(SequenceNode node)
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1026 if ((node.left() != null) && (node.right() != null))
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1028 _reCount((SequenceNode) node.left());
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1029 _reCount((SequenceNode) node.right());
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1031 SequenceNode l = (SequenceNode) node.left();
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1032 SequenceNode r = (SequenceNode) node.right();
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1034 ((SequenceNode) node).count = l.count + r.count;
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1035 ((SequenceNode) node).ycount = (l.ycount + r.ycount) / 2;
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1039 ((SequenceNode) node).count = 1;
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1040 ((SequenceNode) node).ycount = ycount++;
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1047 * @param node DOCUMENT ME!
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1049 public void swapNodes(SequenceNode node)
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1056 SequenceNode tmp = (SequenceNode) node.left();
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1058 node.setLeft(node.right());
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1059 node.setRight(tmp);
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1065 * @param node DOCUMENT ME!
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1066 * @param dir DOCUMENT ME!
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1068 public void changeDirection(SequenceNode node, SequenceNode dir)
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1075 if (node.parent() != top)
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1077 changeDirection((SequenceNode) node.parent(), node);
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1079 SequenceNode tmp = (SequenceNode) node.parent();
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1081 if (dir == node.left())
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1083 node.setParent(dir);
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1084 node.setLeft(tmp);
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1086 else if (dir == node.right())
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1088 node.setParent(dir);
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1089 node.setRight(tmp);
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1094 if (dir == node.left())
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1096 node.setParent(node.left());
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1098 if (top.left() == node)
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1100 node.setRight(top.right());
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1104 node.setRight(top.left());
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1109 node.setParent(node.right());
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1111 if (top.left() == node)
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1113 node.setLeft(top.right());
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1117 node.setLeft(top.left());
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1127 * @return DOCUMENT ME!
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1129 public SequenceNode getMaxDist()
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1137 * @return DOCUMENT ME!
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1139 public SequenceNode getTopNode()
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1145 * @return true if tree has real distances
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1147 public boolean isHasDistances() {
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1148 return hasDistances;
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1153 * @return true if tree has real bootstrap values
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1155 public boolean isHasBootstrap() {
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1156 return hasBootstrap;
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1159 public boolean isHasRootDistance()
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1161 return hasRootDistance;
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1170 * @author $author$
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1171 * @version $Revision$
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1178 * Creates a new Cluster object.
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1180 * @param value DOCUMENT ME!
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1182 public Cluster(int[] value)
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1184 this.value = value;
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