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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52 public NJTree(SequenceI[] seqs, NewickFile treefile) {
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53 top = treefile.getTree();
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54 maxheight = findHeight(top);
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55 SequenceIdMatcher algnIds = new SequenceIdMatcher(seqs);
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57 Vector leaves = new Vector();
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58 findLeaves(top, leaves);
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61 int namesleft = seqs.length;
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66 while (i < leaves.size())
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68 j = (SequenceNode) leaves.elementAt(i++);
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69 realnam = j.getName();
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72 nam = algnIds.findIdMatch(realnam);
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77 j.setElement(new Sequence(realnam, "THISISAPLACEHLDER"));
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82 public NJTree(SequenceI[] sequence,int start, int end) {
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83 this(sequence,"NJ","BL",start,end);
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86 public NJTree(SequenceI[] sequence,String type,String pwtype,int start, int end ) {
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88 this.sequence = sequence;
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89 this.node = new Vector();
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91 this.pwtype = pwtype;
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95 if (!(type.equals("NJ"))) {
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99 if (!(pwtype.equals("PID"))) {
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105 done = new int[sequence.length];
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108 while (i < sequence.length && sequence[i] != null) {
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115 distance = findDistances();
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119 noClus = cluster.size();
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126 public void cluster() {
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128 while (noClus > 2) {
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129 if (type.equals("NJ")) {
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130 float mind = findMinNJDistance();
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132 float mind = findMinDistance();
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135 Cluster c = joinClusters(mini,minj);
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140 cluster.setElementAt(null,minj);
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141 cluster.setElementAt(c,mini);
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146 boolean onefound = false;
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151 for (int i=0; i < noseqs; i++) {
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152 if (done[i] != 1) {
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153 if (onefound == false) {
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162 Cluster c = joinClusters(one,two);
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163 top = (SequenceNode)(node.elementAt(one));
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171 public Cluster joinClusters(int i, int j) {
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173 float dist = distance[i][j];
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175 int noi = ((Cluster)cluster.elementAt(i)).value.length;
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176 int noj = ((Cluster)cluster.elementAt(j)).value.length;
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178 int[] value = new int[noi + noj];
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180 for (int ii = 0; ii < noi;ii++) {
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181 value[ii] = ((Cluster)cluster.elementAt(i)).value[ii];
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184 for (int ii = noi; ii < noi+ noj;ii++) {
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185 value[ii] = ((Cluster)cluster.elementAt(j)).value[ii-noi];
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188 Cluster c = new Cluster(value);
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193 if (type.equals("NJ")) {
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194 findClusterNJDistance(i,j);
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196 findClusterDistance(i,j);
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199 SequenceNode sn = new SequenceNode();
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201 sn.setLeft((SequenceNode)(node.elementAt(i)));
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202 sn.setRight((SequenceNode)(node.elementAt(j)));
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204 SequenceNode tmpi = (SequenceNode)(node.elementAt(i));
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205 SequenceNode tmpj = (SequenceNode)(node.elementAt(j));
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207 if (type.equals("NJ")) {
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208 findNewNJDistances(tmpi,tmpj,dist);
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210 findNewDistances(tmpi,tmpj,dist);
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213 tmpi.setParent(sn);
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214 tmpj.setParent(sn);
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216 node.setElementAt(sn,i);
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220 public void findNewNJDistances(SequenceNode tmpi, SequenceNode tmpj, float dist) {
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225 SequenceNode sni = tmpi;
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226 SequenceNode snj = tmpj;
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228 tmpi.dist = (dist + ri - rj)/2;
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229 tmpj.dist = (dist - tmpi.dist);
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231 if (tmpi.dist < 0) {
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234 if (tmpj.dist < 0) {
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239 public void findNewDistances(SequenceNode tmpi,SequenceNode tmpj,float dist) {
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244 SequenceNode sni = tmpi;
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245 SequenceNode snj = tmpj;
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247 while (sni != null) {
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248 ih = ih + sni.dist;
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249 sni = (SequenceNode)sni.left();
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252 while (snj != null) {
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253 jh = jh + snj.dist;
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254 snj = (SequenceNode)snj.left();
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257 tmpi.dist = (dist/2 - ih);
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258 tmpj.dist = (dist/2 - jh);
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263 public void findClusterDistance(int i, int j) {
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265 int noi = ((Cluster)cluster.elementAt(i)).value.length;
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266 int noj = ((Cluster)cluster.elementAt(j)).value.length;
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268 // New distances from cluster to others
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269 float[] newdist = new float[noseqs];
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271 for (int l = 0; l < noseqs; l++) {
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272 if ( l != i && l != j) {
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273 newdist[l] = (distance[i][l] * noi + distance[j][l] * noj)/(noi + noj);
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279 for (int ii=0; ii < noseqs;ii++) {
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280 distance[i][ii] = newdist[ii];
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281 distance[ii][i] = newdist[ii];
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285 public void findClusterNJDistance(int i, int j) {
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287 int noi = ((Cluster)cluster.elementAt(i)).value.length;
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288 int noj = ((Cluster)cluster.elementAt(j)).value.length;
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290 // New distances from cluster to others
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291 float[] newdist = new float[noseqs];
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293 for (int l = 0; l < noseqs; l++) {
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294 if ( l != i && l != j) {
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295 newdist[l] = (distance[i][l] + distance[j][l] - distance[i][j])/2;
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301 for (int ii=0; ii < noseqs;ii++) {
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302 distance[i][ii] = newdist[ii];
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303 distance[ii][i] = newdist[ii];
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307 public float findr(int i, int j) {
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310 for (int k=0; k < noseqs;k++) {
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311 if (k!= i && k!= j && done[k] != 1) {
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312 tmp = tmp + distance[i][k];
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317 tmp = tmp/(noClus - 2);
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323 public float findMinNJDistance() {
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325 float min = 100000;
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327 for (int i=0; i < noseqs-1; i++) {
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328 for (int j=i+1;j < noseqs;j++) {
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329 if (done[i] != 1 && done[j] != 1) {
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330 float tmp = distance[i][j] - (findr(i,j) + findr(j,i));
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345 public float findMinDistance() {
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347 float min = 100000;
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349 for (int i=0; i < noseqs-1;i++) {
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350 for (int j = i+1; j < noseqs;j++) {
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351 if (done[i] != 1 && done[j] != 1) {
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352 if (distance[i][j] < min) {
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356 min = distance[i][j];
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364 public float[][] findDistances() {
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366 float[][] distance = new float[noseqs][noseqs];
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367 if (pwtype.equals("PID")) {
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368 for (int i = 0; i < noseqs-1; i++) {
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369 for (int j = i; j < noseqs; j++) {
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371 distance[i][i] = 0;
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373 distance[i][j] = 100-Comparison.PID(sequence[i], sequence[j]);
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374 distance[j][i] = distance[i][j];
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378 } else if (pwtype.equals("BL")) {
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381 for (int i = 0; i < noseqs-1; i++) {
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382 for (int j = i; j < noseqs; j++) {
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384 for (int k=0; k < sequence[i].getLength(); k++) {
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387 ResidueProperties.getBLOSUM62(sequence[i].getSequence(k,
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389 sequence[j].getSequence(k,
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391 }catch(Exception ex){System.out.println("err creating BLOSUM62 tree");}
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393 distance[i][j] = (float)score;
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394 if (score > maxscore) {
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399 for (int i = 0; i < noseqs-1; i++) {
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400 for (int j = i; j < noseqs; j++) {
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401 distance[i][j] = (float)maxscore - distance[i][j];
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402 distance[j][i] = distance[i][j];
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405 } else if (pwtype.equals("SW")) {
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407 for (int i = 0; i < noseqs-1; i++) {
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408 for (int j = i; j < noseqs; j++) {
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409 AlignSeq as = new AlignSeq(sequence[i],sequence[j],"pep");
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410 as.calcScoreMatrix();
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411 as.traceAlignment();
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412 as.printAlignment();
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413 distance[i][j] = (float)as.maxscore;
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414 if (max < distance[i][j]) {
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415 max = distance[i][j];
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419 for (int i = 0; i < noseqs-1; i++) {
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420 for (int j = i; j < noseqs; j++) {
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421 distance[i][j] = max - distance[i][j];
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422 distance[j][i] = distance[i][j];
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430 public void makeLeaves() {
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431 cluster = new Vector();
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433 for (int i=0; i < noseqs; i++) {
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434 SequenceNode sn = new SequenceNode();
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436 sn.setElement(sequence[i]);
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437 sn.setName(sequence[i].getName());
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438 node.addElement(sn);
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440 int[] value = new int[1];
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443 Cluster c = new Cluster(value);
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444 cluster.addElement(c);
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448 public Vector findLeaves(SequenceNode node, Vector leaves) {
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449 if (node == null) {
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453 if (node.left() == null && node.right() == null) {
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454 leaves.addElement(node);
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457 findLeaves((SequenceNode)node.left(),leaves);
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458 findLeaves((SequenceNode)node.right(),leaves);
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463 public Object findLeaf(SequenceNode node, int count) {
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464 found = _findLeaf(node,count);
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468 public Object _findLeaf(SequenceNode node,int count) {
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469 if (node == null) {
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472 if (node.ycount == count) {
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473 found = node.element();
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476 _findLeaf((SequenceNode)node.left(),count);
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477 _findLeaf((SequenceNode)node.right(),count);
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483 public void printNode(SequenceNode node) {
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484 if (node == null) {
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487 if (node.left() == null && node.right() == null) {
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488 System.out.println("Leaf = " + ((SequenceI)node.element()).getName());
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489 System.out.println("Dist " + ((SequenceNode)node).dist);
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490 System.out.println("Boot " + node.getBootstrap());
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492 System.out.println("Dist " + ((SequenceNode)node).dist);
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493 printNode((SequenceNode)node.left());
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494 printNode((SequenceNode)node.right());
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497 public void findMaxDist(SequenceNode node) {
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498 if (node == null) {
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501 if (node.left() == null && node.right() == null) {
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503 float dist = ((SequenceNode)node).dist;
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504 if (dist > maxDistValue) {
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505 maxdist = (SequenceNode)node;
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506 maxDistValue = dist;
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509 findMaxDist((SequenceNode)node.left());
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510 findMaxDist((SequenceNode)node.right());
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513 public Vector getGroups() {
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516 public float getMaxHeight() {
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519 public void groupNodes(SequenceNode node, float threshold) {
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520 if (node == null) {
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524 if (node.height/maxheight > threshold) {
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525 groups.addElement(node);
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527 groupNodes((SequenceNode)node.left(),threshold);
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528 groupNodes((SequenceNode)node.right(),threshold);
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532 public float findHeight(SequenceNode node) {
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534 if (node == null) {
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538 if (node.left() == null && node.right() == null) {
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539 node.height = ((SequenceNode)node.parent()).height + node.dist;
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541 if (node.height > maxheight) {
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542 return node.height;
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547 if (node.parent() != null) {
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548 node.height = ((SequenceNode)node.parent()).height + node.dist;
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551 node.height = (float)0.0;
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554 maxheight = findHeight((SequenceNode)(node.left()));
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555 maxheight = findHeight((SequenceNode)(node.right()));
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559 public SequenceNode reRoot() {
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560 if (maxdist != null) {
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562 float tmpdist = maxdist.dist;
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565 SequenceNode sn = new SequenceNode();
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566 sn.setParent(null);
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568 // New right hand of top
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569 SequenceNode snr = (SequenceNode)maxdist.parent();
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570 changeDirection(snr,maxdist);
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571 System.out.println("Printing reversed tree");
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573 snr.dist = tmpdist/2;
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574 maxdist.dist = tmpdist/2;
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577 maxdist.setParent(sn);
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580 sn.setLeft(maxdist);
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591 public static void printN(SequenceNode node) {
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592 if (node == null) {
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596 if (node.left() != null && node.right() != null) {
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597 printN((SequenceNode)node.left());
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598 printN((SequenceNode)node.right());
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600 System.out.println(" name = " + ((SequenceI)node.element()).getName());
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602 System.out.println(" dist = " + ((SequenceNode)node).dist + " " + ((SequenceNode)node).count + " " + ((SequenceNode)node).height);
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605 public void reCount(SequenceNode node) {
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609 public void _reCount(SequenceNode node) {
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610 if (node == null) {
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614 if (node.left() != null && node.right() != null) {
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615 _reCount((SequenceNode)node.left());
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616 _reCount((SequenceNode)node.right());
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618 SequenceNode l = (SequenceNode)node.left();
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619 SequenceNode r = (SequenceNode)node.right();
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621 ((SequenceNode)node).count = l.count + r.count;
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622 ((SequenceNode)node).ycount = (l.ycount + r.ycount)/2;
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625 ((SequenceNode)node).count = 1;
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626 ((SequenceNode)node).ycount = ycount++;
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630 public void swapNodes(SequenceNode node) {
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631 if (node == null) {
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634 SequenceNode tmp = (SequenceNode)node.left();
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636 node.setLeft(node.right());
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637 node.setRight(tmp);
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639 public void changeDirection(SequenceNode node, SequenceNode dir) {
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640 if (node == null) {
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643 if (node.parent() != top) {
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644 changeDirection((SequenceNode)node.parent(), node);
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646 SequenceNode tmp = (SequenceNode)node.parent();
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648 if (dir == node.left()) {
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649 node.setParent(dir);
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651 } else if (dir == node.right()) {
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652 node.setParent(dir);
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653 node.setRight(tmp);
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657 if (dir == node.left()) {
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658 node.setParent(node.left());
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660 if (top.left() == node) {
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661 node.setRight(top.right());
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663 node.setRight(top.left());
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666 node.setParent(node.right());
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668 if (top.left() == node) {
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669 node.setLeft(top.right());
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671 node.setLeft(top.left());
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676 public void setMaxDist(SequenceNode node) {
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677 this.maxdist = maxdist;
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679 public SequenceNode getMaxDist() {
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682 public SequenceNode getTopNode() {
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694 public Cluster(int[] value) {
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695 this.value = value;
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