1 package jalview.analysis;
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3 import jalview.datamodel.*;
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4 import jalview.util.*;
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5 import jalview.schemes.ResidueProperties;
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8 import jalview.io.NewickFile;
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10 public class NJTree {
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13 SequenceI[] sequence;
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26 Vector groups = new Vector();
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27 SequenceNode maxdist;
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40 Object found = null;
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41 Object leaves = null;
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46 public NJTree(SequenceNode node) {
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48 maxheight = findHeight(top);
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51 public String toString()
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53 jalview.io.NewickFile fout = new jalview.io.NewickFile(getTopNode());
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54 return fout.print(false,true); // distances only
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57 public NJTree(SequenceI[] seqs, NewickFile treefile) {
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58 top = treefile.getTree();
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59 maxheight = findHeight(top);
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60 SequenceIdMatcher algnIds = new SequenceIdMatcher(seqs);
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62 Vector leaves = new Vector();
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63 findLeaves(top, leaves);
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66 int namesleft = seqs.length;
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71 while (i < leaves.size())
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73 j = (SequenceNode) leaves.elementAt(i++);
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74 realnam = j.getName();
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77 nam = algnIds.findIdMatch(realnam);
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82 j.setElement(new Sequence(realnam, "THISISAPLACEHLDER"));
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87 public NJTree(SequenceI[] sequence,int start, int end) {
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88 this(sequence,"NJ","BL",start,end);
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91 public NJTree(SequenceI[] sequence,String type,String pwtype,int start, int end ) {
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93 this.sequence = sequence;
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94 this.node = new Vector();
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96 this.pwtype = pwtype;
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100 if (!(type.equals("NJ"))) {
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104 if (!(pwtype.equals("PID"))) {
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110 done = new int[sequence.length];
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113 while (i < sequence.length && sequence[i] != null) {
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120 distance = findDistances();
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124 noClus = cluster.size();
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131 public void cluster() {
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133 while (noClus > 2) {
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134 if (type.equals("NJ")) {
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135 float mind = findMinNJDistance();
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137 float mind = findMinDistance();
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140 Cluster c = joinClusters(mini,minj);
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145 cluster.setElementAt(null,minj);
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146 cluster.setElementAt(c,mini);
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151 boolean onefound = false;
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156 for (int i=0; i < noseqs; i++) {
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157 if (done[i] != 1) {
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158 if (onefound == false) {
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167 Cluster c = joinClusters(one,two);
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168 top = (SequenceNode)(node.elementAt(one));
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176 public Cluster joinClusters(int i, int j) {
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178 float dist = distance[i][j];
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180 int noi = ((Cluster)cluster.elementAt(i)).value.length;
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181 int noj = ((Cluster)cluster.elementAt(j)).value.length;
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183 int[] value = new int[noi + noj];
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185 for (int ii = 0; ii < noi;ii++) {
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186 value[ii] = ((Cluster)cluster.elementAt(i)).value[ii];
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189 for (int ii = noi; ii < noi+ noj;ii++) {
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190 value[ii] = ((Cluster)cluster.elementAt(j)).value[ii-noi];
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193 Cluster c = new Cluster(value);
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198 if (type.equals("NJ")) {
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199 findClusterNJDistance(i,j);
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201 findClusterDistance(i,j);
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204 SequenceNode sn = new SequenceNode();
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206 sn.setLeft((SequenceNode)(node.elementAt(i)));
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207 sn.setRight((SequenceNode)(node.elementAt(j)));
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209 SequenceNode tmpi = (SequenceNode)(node.elementAt(i));
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210 SequenceNode tmpj = (SequenceNode)(node.elementAt(j));
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212 if (type.equals("NJ")) {
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213 findNewNJDistances(tmpi,tmpj,dist);
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215 findNewDistances(tmpi,tmpj,dist);
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218 tmpi.setParent(sn);
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219 tmpj.setParent(sn);
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221 node.setElementAt(sn,i);
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225 public void findNewNJDistances(SequenceNode tmpi, SequenceNode tmpj, float dist) {
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230 SequenceNode sni = tmpi;
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231 SequenceNode snj = tmpj;
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233 tmpi.dist = (dist + ri - rj)/2;
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234 tmpj.dist = (dist - tmpi.dist);
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236 if (tmpi.dist < 0) {
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239 if (tmpj.dist < 0) {
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244 public void findNewDistances(SequenceNode tmpi,SequenceNode tmpj,float dist) {
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249 SequenceNode sni = tmpi;
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250 SequenceNode snj = tmpj;
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252 while (sni != null) {
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253 ih = ih + sni.dist;
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254 sni = (SequenceNode)sni.left();
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257 while (snj != null) {
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258 jh = jh + snj.dist;
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259 snj = (SequenceNode)snj.left();
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262 tmpi.dist = (dist/2 - ih);
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263 tmpj.dist = (dist/2 - jh);
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268 public void findClusterDistance(int i, int j) {
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270 int noi = ((Cluster)cluster.elementAt(i)).value.length;
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271 int noj = ((Cluster)cluster.elementAt(j)).value.length;
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273 // New distances from cluster to others
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274 float[] newdist = new float[noseqs];
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276 for (int l = 0; l < noseqs; l++) {
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277 if ( l != i && l != j) {
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278 newdist[l] = (distance[i][l] * noi + distance[j][l] * noj)/(noi + noj);
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284 for (int ii=0; ii < noseqs;ii++) {
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285 distance[i][ii] = newdist[ii];
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286 distance[ii][i] = newdist[ii];
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290 public void findClusterNJDistance(int i, int j) {
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292 int noi = ((Cluster)cluster.elementAt(i)).value.length;
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293 int noj = ((Cluster)cluster.elementAt(j)).value.length;
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295 // New distances from cluster to others
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296 float[] newdist = new float[noseqs];
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298 for (int l = 0; l < noseqs; l++) {
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299 if ( l != i && l != j) {
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300 newdist[l] = (distance[i][l] + distance[j][l] - distance[i][j])/2;
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306 for (int ii=0; ii < noseqs;ii++) {
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307 distance[i][ii] = newdist[ii];
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308 distance[ii][i] = newdist[ii];
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312 public float findr(int i, int j) {
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315 for (int k=0; k < noseqs;k++) {
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316 if (k!= i && k!= j && done[k] != 1) {
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317 tmp = tmp + distance[i][k];
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322 tmp = tmp/(noClus - 2);
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328 public float findMinNJDistance() {
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330 float min = 100000;
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332 for (int i=0; i < noseqs-1; i++) {
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333 for (int j=i+1;j < noseqs;j++) {
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334 if (done[i] != 1 && done[j] != 1) {
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335 float tmp = distance[i][j] - (findr(i,j) + findr(j,i));
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350 public float findMinDistance() {
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352 float min = 100000;
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354 for (int i=0; i < noseqs-1;i++) {
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355 for (int j = i+1; j < noseqs;j++) {
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356 if (done[i] != 1 && done[j] != 1) {
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357 if (distance[i][j] < min) {
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361 min = distance[i][j];
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369 public float[][] findDistances() {
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371 float[][] distance = new float[noseqs][noseqs];
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372 if (pwtype.equals("PID")) {
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373 for (int i = 0; i < noseqs-1; i++) {
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374 for (int j = i; j < noseqs; j++) {
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376 distance[i][i] = 0;
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378 distance[i][j] = 100-Comparison.PID(sequence[i], sequence[j]);
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379 distance[j][i] = distance[i][j];
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383 } else if (pwtype.equals("BL")) {
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386 for (int i = 0; i < noseqs-1; i++) {
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387 for (int j = i; j < noseqs; j++) {
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389 for (int k=0; k < sequence[i].getLength(); k++) {
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392 ResidueProperties.getBLOSUM62(sequence[i].getSequence(k,
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394 sequence[j].getSequence(k,
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396 }catch(Exception ex){System.out.println("err creating BLOSUM62 tree");}
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398 distance[i][j] = (float)score;
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399 if (score > maxscore) {
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404 for (int i = 0; i < noseqs-1; i++) {
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405 for (int j = i; j < noseqs; j++) {
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406 distance[i][j] = (float)maxscore - distance[i][j];
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407 distance[j][i] = distance[i][j];
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410 } else if (pwtype.equals("SW")) {
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412 for (int i = 0; i < noseqs-1; i++) {
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413 for (int j = i; j < noseqs; j++) {
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414 AlignSeq as = new AlignSeq(sequence[i],sequence[j],"pep");
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415 as.calcScoreMatrix();
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416 as.traceAlignment();
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417 as.printAlignment();
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418 distance[i][j] = (float)as.maxscore;
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419 if (max < distance[i][j]) {
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420 max = distance[i][j];
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424 for (int i = 0; i < noseqs-1; i++) {
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425 for (int j = i; j < noseqs; j++) {
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426 distance[i][j] = max - distance[i][j];
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427 distance[j][i] = distance[i][j];
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435 public void makeLeaves() {
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436 cluster = new Vector();
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438 for (int i=0; i < noseqs; i++) {
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439 SequenceNode sn = new SequenceNode();
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441 sn.setElement(sequence[i]);
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442 sn.setName(sequence[i].getName());
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443 node.addElement(sn);
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445 int[] value = new int[1];
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448 Cluster c = new Cluster(value);
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449 cluster.addElement(c);
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453 public Vector findLeaves(SequenceNode node, Vector leaves) {
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454 if (node == null) {
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458 if (node.left() == null && node.right() == null) {
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459 leaves.addElement(node);
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462 findLeaves((SequenceNode)node.left(),leaves);
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463 findLeaves((SequenceNode)node.right(),leaves);
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468 public Object findLeaf(SequenceNode node, int count) {
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469 found = _findLeaf(node,count);
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473 public Object _findLeaf(SequenceNode node,int count) {
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474 if (node == null) {
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477 if (node.ycount == count) {
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478 found = node.element();
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481 _findLeaf((SequenceNode)node.left(),count);
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482 _findLeaf((SequenceNode)node.right(),count);
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488 public void printNode(SequenceNode node) {
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489 if (node == null) {
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492 if (node.left() == null && node.right() == null) {
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493 System.out.println("Leaf = " + ((SequenceI)node.element()).getName());
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494 System.out.println("Dist " + ((SequenceNode)node).dist);
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495 System.out.println("Boot " + node.getBootstrap());
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497 System.out.println("Dist " + ((SequenceNode)node).dist);
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498 printNode((SequenceNode)node.left());
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499 printNode((SequenceNode)node.right());
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502 public void findMaxDist(SequenceNode node) {
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503 if (node == null) {
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506 if (node.left() == null && node.right() == null) {
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508 float dist = ((SequenceNode)node).dist;
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509 if (dist > maxDistValue) {
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510 maxdist = (SequenceNode)node;
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511 maxDistValue = dist;
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514 findMaxDist((SequenceNode)node.left());
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515 findMaxDist((SequenceNode)node.right());
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518 public Vector getGroups() {
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521 public float getMaxHeight() {
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524 public void groupNodes(SequenceNode node, float threshold) {
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525 if (node == null) {
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529 if (node.height/maxheight > threshold) {
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530 groups.addElement(node);
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532 groupNodes((SequenceNode)node.left(),threshold);
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533 groupNodes((SequenceNode)node.right(),threshold);
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537 public float findHeight(SequenceNode node) {
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539 if (node == null) {
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543 if (node.left() == null && node.right() == null) {
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544 node.height = ((SequenceNode)node.parent()).height + node.dist;
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546 if (node.height > maxheight) {
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547 return node.height;
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552 if (node.parent() != null) {
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553 node.height = ((SequenceNode)node.parent()).height + node.dist;
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556 node.height = (float)0.0;
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559 maxheight = findHeight((SequenceNode)(node.left()));
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560 maxheight = findHeight((SequenceNode)(node.right()));
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564 public SequenceNode reRoot() {
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565 if (maxdist != null) {
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567 float tmpdist = maxdist.dist;
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570 SequenceNode sn = new SequenceNode();
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571 sn.setParent(null);
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573 // New right hand of top
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574 SequenceNode snr = (SequenceNode)maxdist.parent();
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575 changeDirection(snr,maxdist);
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576 System.out.println("Printing reversed tree");
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578 snr.dist = tmpdist/2;
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579 maxdist.dist = tmpdist/2;
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582 maxdist.setParent(sn);
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585 sn.setLeft(maxdist);
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596 public static void printN(SequenceNode node) {
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597 if (node == null) {
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601 if (node.left() != null && node.right() != null) {
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602 printN((SequenceNode)node.left());
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603 printN((SequenceNode)node.right());
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605 System.out.println(" name = " + ((SequenceI)node.element()).getName());
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607 System.out.println(" dist = " + ((SequenceNode)node).dist + " " + ((SequenceNode)node).count + " " + ((SequenceNode)node).height);
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610 public void reCount(SequenceNode node) {
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614 public void _reCount(SequenceNode node) {
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615 if (node == null) {
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619 if (node.left() != null && node.right() != null) {
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620 _reCount((SequenceNode)node.left());
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621 _reCount((SequenceNode)node.right());
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623 SequenceNode l = (SequenceNode)node.left();
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624 SequenceNode r = (SequenceNode)node.right();
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626 ((SequenceNode)node).count = l.count + r.count;
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627 ((SequenceNode)node).ycount = (l.ycount + r.ycount)/2;
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630 ((SequenceNode)node).count = 1;
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631 ((SequenceNode)node).ycount = ycount++;
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635 public void swapNodes(SequenceNode node) {
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636 if (node == null) {
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639 SequenceNode tmp = (SequenceNode)node.left();
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641 node.setLeft(node.right());
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642 node.setRight(tmp);
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644 public void changeDirection(SequenceNode node, SequenceNode dir) {
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645 if (node == null) {
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648 if (node.parent() != top) {
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649 changeDirection((SequenceNode)node.parent(), node);
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651 SequenceNode tmp = (SequenceNode)node.parent();
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653 if (dir == node.left()) {
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654 node.setParent(dir);
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656 } else if (dir == node.right()) {
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657 node.setParent(dir);
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658 node.setRight(tmp);
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662 if (dir == node.left()) {
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663 node.setParent(node.left());
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665 if (top.left() == node) {
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666 node.setRight(top.right());
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668 node.setRight(top.left());
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671 node.setParent(node.right());
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673 if (top.left() == node) {
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674 node.setLeft(top.right());
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676 node.setLeft(top.left());
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681 public void setMaxDist(SequenceNode node) {
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682 this.maxdist = maxdist;
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684 public SequenceNode getMaxDist() {
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687 public SequenceNode getTopNode() {
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699 public Cluster(int[] value) {
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700 this.value = value;
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