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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21 import jalview.analysis.*;
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23 import jalview.datamodel.*;
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28 public class AAFrequency {
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29 // Takes in a vector of sequences and column start and column end
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30 // and returns a vector of size (end-start+1). Each element of the
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31 // vector contains a hashtable with the keys being residues and
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32 // the values being the count of each residue in that column.
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33 // This class is used extensively in calculating alignment colourschemes
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34 // that depend on the amount of conservation in each alignment column.
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35 public static Vector calculate(Vector sequences, int start, int end) {
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36 Vector result = new Vector();
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38 for (int i = start; i <= end; i++) {
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39 Hashtable residueHash = new Hashtable();
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41 String maxResidue = "-";
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44 for (int j = 0; j < sequences.size(); j++) {
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45 if (sequences.elementAt(j) instanceof Sequence) {
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46 Sequence s = (Sequence) sequences.elementAt(j);
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48 if (s.getSequence().length() > i) {
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49 String res = s.getSequence().charAt(i) + "";
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51 if (!jalview.util.Comparison.isGap(res.charAt(0))) {
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54 res = "-"; // we always use this for gaps in the property vectors
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57 if (residueHash.containsKey(res)) {
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58 int count = ((Integer) residueHash.get(res)).intValue();
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61 if (!jalview.util.Comparison.isGap(res.charAt(0)) &&
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62 (count >= maxCount)) {
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63 if (count > maxCount) {
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65 } else if (maxResidue.indexOf(res) == -1) {
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72 residueHash.put(res, new Integer(count));
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74 residueHash.put(res, new Integer(1));
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77 if (residueHash.containsKey("-")) {
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78 int count = ((Integer) residueHash.get("-")).intValue();
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80 residueHash.put("-", new Integer(count));
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82 residueHash.put("-", new Integer(1));
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88 residueHash.put("maxCount", new Integer(maxCount));
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91 System.out.println("asasa " + maxCount);
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94 residueHash.put("maxResidue", maxResidue);
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95 residueHash.put("size", new Integer(sequences.size()));
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96 residueHash.put("nongap", new Integer(nongap));
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97 result.addElement(residueHash);
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103 public static Vector calculatePID(SequenceI refseq, Vector sequences,
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104 int window, int start, int end) {
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105 Vector result = new Vector();
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107 boolean init = true;
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109 Vector prev = null;
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111 for (int i = start; i <= end; i++) {
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112 Vector values = new Vector();
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114 result.addElement(values);
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116 // If start < window/2 then set value to zero.
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117 if ((i < (window / 2)) ||
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118 (i >= (refseq.getSequence().length() - (window / 2)))) {
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119 for (int j = 0; j < sequences.size(); j++) {
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120 values.addElement(new Integer(0));
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122 } else if (init == true) {
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125 int winstart = i - (window / 2);
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126 int winend = i + (window / 2);
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128 if ((window % 2) != 0) {
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132 for (int j = 0; j < sequences.size(); j++) {
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133 values.addElement(new Integer(0));
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136 for (int k = winstart; k <= winend; k++) {
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137 String refchar = refseq.getSequence().substring(k, k + 1);
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139 if (jalview.util.Comparison.isGap(refchar.charAt(0))) {
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142 for (int j = 0; j < sequences.size(); j++) {
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143 Sequence s = (Sequence) sequences.elementAt(j);
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145 if (s.getSequence().length() > k) {
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146 String res = s.getSequence().substring(k, k +
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147 1); // no gapchar test needed
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149 if (res.equals(refchar)) {
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150 int val = ((Integer) values.elementAt(j)).intValue();
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152 values.setElementAt(new Integer(val), j);
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161 int winstart = i - (window / 2);
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162 int winend = i + (window / 2);
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164 if ((window % 2) != 0) {
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168 // We need to take the previous set of values
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169 // subtract the pid at winstart-1
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170 // and add the pid at winend;
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171 String pre_refchar = refseq.getSequence().substring(winstart -
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173 String pos_refchar = "-";
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175 if (refseq.getSequence().length() > winend) {
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176 pos_refchar = refseq.getSequence().substring(winend,
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180 for (int j = 0; j < sequences.size(); j++) {
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181 // First copy the pid value from i-1
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182 int val = ((Integer) prev.elementAt(j)).intValue();
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184 Sequence s = (Sequence) sequences.elementAt(j);
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186 String pre_char = s.getSequence().substring(winstart - 1,
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189 String pos_char = "-";
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191 if (s.getSequence().length() > winend) {
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192 pos_char = s.getSequence().substring(winend, winend +
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196 // Now substract 1 if the chars at winstart-1 match
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197 if ((jalview.util.Comparison.isGap(pre_refchar.charAt(0)) == false) &&
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198 pre_char.equals(pre_refchar)) {
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202 if ((jalview.util.Comparison.isGap(pos_refchar.charAt(0)) == false) &&
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203 pos_char.equals(pos_refchar)) {
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207 values.addElement(new Integer(val));
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217 public static Hashtable findBlocks(Vector seqs, int start, int end,
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219 // start and end are in real (not relative coords);
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220 // The coords in the hashtable that is returned are in relative coords
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221 // i.e. start from 0
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222 Hashtable blocks = new Hashtable();
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224 boolean prev = false;
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227 for (int i = start; i <= end; i++) {
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228 SequenceI seq = (SequenceI) seqs.elementAt(0);
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230 char c = seq.getCharAt(i);
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232 boolean found = true;
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236 while ((j < seqs.size()) && (found == true)) {
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237 SequenceI jseq = (SequenceI) seqs.elementAt(j);
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239 if (!exc.contains(jseq)) {
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240 char cc = jseq.getCharAt(i);
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250 if ((prev == false) && (found == true)) {
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252 } else if ((prev == true) && (found == false) && (bstart != -1)) {
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253 int blockstart = bstart - start;
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254 int blocklen = i - bstart;
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256 //System.out.println("Start len " + blockstart + " " + blocklen);
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257 for (int jj = blockstart; jj < (blockstart + blocklen); jj++) {
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258 blocks.put(new Integer(jj), new Integer(blocklen));
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267 if (bstart != -1) {
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268 int blockstart = bstart - start;
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269 int blocklen = end - bstart;
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271 // System.out.println("Start len " + blockstart + " " + blocklen);
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272 for (int jj = blockstart; jj < (blockstart + blocklen); jj++) {
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273 blocks.put(new Integer(blockstart), new Integer(blocklen));
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280 public static Hashtable findKmerCount(SequenceI seq, int start, int end,
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281 int window, int step, Vector kmers) {
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282 int tmpstart = start;
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283 Hashtable vals = new Hashtable();
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285 while (tmpstart <= end) {
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286 String tmpstr = seq.getSequence().substring(tmpstart -
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287 (window / 2), tmpstart + (window / 2));
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291 //System.out.println("Str " + tmpstr);
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292 for (int ii = 0; ii < kmers.size(); ii++) {
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293 String kmer = ((SequenceI) kmers.elementAt(ii)).getSequence();
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297 while (tmpstr.indexOf(kmer, i) != -1) {
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298 i = tmpstr.indexOf(kmer, i);
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307 vals.put(new Integer(tmpstart), new Integer(count));
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314 public static Hashtable findBlockStarts(Vector seqs, int start, int end,
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316 // start and end are in real (not relative coords);
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317 // The coords in the hashtable that is returned are in relative coords
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318 // i.e. start from 0
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319 Hashtable blocks = new Hashtable();
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321 boolean prev = false;
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324 for (int i = start; i <= end; i++) {
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325 SequenceI seq = (SequenceI) seqs.elementAt(0);
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327 char c = seq.getCharAt(i);
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329 boolean found = true;
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333 while ((j < seqs.size()) && (found == true)) {
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334 SequenceI jseq = (SequenceI) seqs.elementAt(j);
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336 if (!exc.contains(jseq)) {
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337 char cc = jseq.getCharAt(i);
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347 if ((prev == false) && (found == true)) {
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349 } else if ((prev == true) && (found == false) && (bstart != -1)) {
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350 int blockstart = bstart - start;
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351 int blocklen = i - bstart;
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353 // System.out.println("Start len " + blockstart + " " + blocklen);
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354 //for (int jj = blockstart; jj < blockstart + blocklen;jj++) {
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355 blocks.put(new Integer(blockstart), new Integer(blocklen));
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364 if (bstart != -1) {
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365 int blockstart = bstart - start;
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366 int blocklen = end - bstart;
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368 // System.out.println("Start len " + blockstart + " " + blocklen);
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369 //for (int jj = blockstart; jj < blockstart + blocklen;jj++) {
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370 blocks.put(new Integer(blockstart), new Integer(blocklen));
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