X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fanalysis%2FAlignmentSorter.java;h=6b8ea4abb3fd70426f3e078ab04e6d6be75cef45;hb=3d0101179759ef157b088ea135423cd909512d9f;hp=b7cfbbdb3f1f29b8042e9ca11b1971ea2b0c5389;hpb=aced09c4feeaf3406269442c14e54abeeb4cad81;p=jalview.git diff --git a/src/jalview/analysis/AlignmentSorter.java b/src/jalview/analysis/AlignmentSorter.java index b7cfbbd..6b8ea4a 100755 --- a/src/jalview/analysis/AlignmentSorter.java +++ b/src/jalview/analysis/AlignmentSorter.java @@ -1,6 +1,6 @@ /* - * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2) - * Copyright (C) 2014 The Jalview Authors + * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) + * Copyright (C) $$Year-Rel$$ The Jalview Authors * * This file is part of Jalview. * @@ -20,10 +20,21 @@ */ package jalview.analysis; -import java.util.*; - -import jalview.datamodel.*; -import jalview.util.*; +import jalview.analysis.scoremodels.PIDModel; +import jalview.analysis.scoremodels.SimilarityParams; +import jalview.datamodel.AlignmentAnnotation; +import jalview.datamodel.AlignmentI; +import jalview.datamodel.AlignmentOrder; +import jalview.datamodel.SequenceFeature; +import jalview.datamodel.SequenceGroup; +import jalview.datamodel.SequenceI; +import jalview.datamodel.SequenceNode; +import jalview.util.MessageManager; +import jalview.util.QuickSort; + +import java.util.ArrayList; +import java.util.Arrays; +import java.util.List; /** * Routines for manipulating the order of a multiple sequence alignment TODO: @@ -56,7 +67,7 @@ public class AlignmentSorter static boolean sortOrderAscending = true; - static NJTree lastTree = null; + static TreeModel lastTree = null; static boolean sortTreeAscending = true; @@ -77,50 +88,34 @@ public class AlignmentSorter private static boolean sortLengthAscending; /** - * Sort by Percentage Identity w.r.t. s + * Sorts sequences in the alignment by Percentage Identity with the given + * reference sequence, sorting the highest identity to the top * * @param align * AlignmentI * @param s * SequenceI - * @param tosort - * sequences from align that are to be sorted. - */ - public static void sortByPID(AlignmentI align, SequenceI s, - SequenceI[] tosort) - { - sortByPID(align, s, tosort, 0, -1); - } - - /** - * Sort by Percentage Identity w.r.t. s - * - * @param align - * AlignmentI - * @param s - * SequenceI - * @param tosort - * sequences from align that are to be sorted. - * @param start - * start column (0 for beginning * @param end */ - public static void sortByPID(AlignmentI align, SequenceI s, - SequenceI[] tosort, int start, int end) + public static void sortByPID(AlignmentI align, SequenceI s) { int nSeq = align.getHeight(); float[] scores = new float[nSeq]; SequenceI[] seqs = new SequenceI[nSeq]; + String refSeq = s.getSequenceAsString(); + SimilarityParams pidParams = new SimilarityParams(true, true, true, + true); for (int i = 0; i < nSeq; i++) { - scores[i] = Comparison.PID(align.getSequenceAt(i) - .getSequenceAsString(), s.getSequenceAsString()); + scores[i] = (float) PIDModel.computePID( + align.getSequenceAt(i).getSequenceAsString(), refSeq, + pidParams); seqs[i] = align.getSequenceAt(i); } - QuickSort.sort(scores, 0, scores.length - 1, seqs); + QuickSort.sort(scores, seqs); setReverseOrder(align, seqs); } @@ -169,7 +164,7 @@ public class AlignmentSorter * @param tmp * sequences as a vector */ - private static void setOrder(AlignmentI align, Vector tmp) + private static void setOrder(AlignmentI align, List tmp) { setOrder(align, vectorSubsetToArray(tmp, align.getSequences())); } @@ -285,7 +280,7 @@ public class AlignmentSorter { // MAINTAINS ORIGNAL SEQUENCE ORDER, // ORDERS BY GROUP SIZE - Vector groups = new Vector(); + List groups = new ArrayList(); if (groups.hashCode() != lastGroupHash) { @@ -303,11 +298,11 @@ public class AlignmentSorter { for (int j = 0; j < groups.size(); j++) { - SequenceGroup sg2 = (SequenceGroup) groups.elementAt(j); + SequenceGroup sg2 = groups.get(j); if (sg.getSize() > sg2.getSize()) { - groups.insertElementAt(sg, j); + groups.add(j, sg); break; } @@ -315,22 +310,22 @@ public class AlignmentSorter if (!groups.contains(sg)) { - groups.addElement(sg); + groups.add(sg); } } // NOW ADD SEQUENCES MAINTAINING ALIGNMENT ORDER // ///////////////////////////////////////////// - Vector seqs = new Vector(); + List seqs = new ArrayList(); for (int i = 0; i < groups.size(); i++) { - SequenceGroup sg = (SequenceGroup) groups.elementAt(i); + SequenceGroup sg = groups.get(i); SequenceI[] orderedseqs = sg.getSequencesInOrder(align); for (int j = 0; j < orderedseqs.length; j++) { - seqs.addElement(orderedseqs[j]); + seqs.add(orderedseqs[j]); } } @@ -346,28 +341,8 @@ public class AlignmentSorter } /** - * Converts Vector to array. java 1.18 does not have Vector.toArray() - * - * @param tmp - * Vector of SequenceI objects - * - * @return array of Sequence[] - */ - private static SequenceI[] vectorToArray(Vector tmp) - { - SequenceI[] seqs = new SequenceI[tmp.size()]; - - for (int i = 0; i < tmp.size(); i++) - { - seqs[i] = (SequenceI) tmp.elementAt(i); - } - - return seqs; - } - - /** * Select sequences in order from tmp that is present in mask, and any - * remaining seqeunces in mask not in tmp + * remaining sequences in mask not in tmp * * @param tmp * thread safe collection of sequences @@ -379,6 +354,10 @@ public class AlignmentSorter private static SequenceI[] vectorSubsetToArray(List tmp, List mask) { + // or? + // tmp2 = tmp.retainAll(mask); + // return tmp2.addAll(mask.removeAll(tmp2)) + ArrayList seqs = new ArrayList(); int i, idx; boolean[] tmask = new boolean[mask.size()]; @@ -421,7 +400,7 @@ public class AlignmentSorter public static void sortBy(AlignmentI align, AlignmentOrder order) { // Get an ordered vector of sequences which may also be present in align - Vector tmp = order.getOrder(); + List tmp = order.getOrder(); if (lastOrder == order) { @@ -438,7 +417,8 @@ public class AlignmentSorter } else { - setReverseOrder(align, vectorSubsetToArray(tmp, align.getSequences())); + setReverseOrder(align, + vectorSubsetToArray(tmp, align.getSequences())); } } @@ -452,11 +432,12 @@ public class AlignmentSorter * * @return DOCUMENT ME! */ - private static Vector getOrderByTree(AlignmentI align, NJTree tree) + private static List getOrderByTree(AlignmentI align, + TreeModel tree) { int nSeq = align.getHeight(); - Vector tmp = new Vector(); + List tmp = new ArrayList(); tmp = _sortByTree(tree.getTopNode(), tmp, align.getSequences()); @@ -472,12 +453,9 @@ public class AlignmentSorter if (tmp.size() != nSeq) { - System.err - .println("WARNING: tmp.size()=" - + tmp.size() - + " != nseq=" - + nSeq - + " in getOrderByTree - tree contains sequences not in alignment"); + System.err.println("WARNING: tmp.size()=" + tmp.size() + " != nseq=" + + nSeq + + " in getOrderByTree - tree contains sequences not in alignment"); } } @@ -492,9 +470,9 @@ public class AlignmentSorter * @param tree * tree which has */ - public static void sortByTree(AlignmentI align, NJTree tree) + public static void sortByTree(AlignmentI align, TreeModel tree) { - Vector tmp = getOrderByTree(align, tree); + List tmp = getOrderByTree(align, tree); // tmp should properly permute align with tree. if (lastTree != tree) @@ -513,7 +491,8 @@ public class AlignmentSorter } else { - setReverseOrder(align, vectorSubsetToArray(tmp, align.getSequences())); + setReverseOrder(align, + vectorSubsetToArray(tmp, align.getSequences())); } } @@ -522,22 +501,22 @@ public class AlignmentSorter * * @param align * DOCUMENT ME! - * @param seqs + * @param tmp * DOCUMENT ME! */ - private static void addStrays(AlignmentI align, Vector seqs) + private static void addStrays(AlignmentI align, List tmp) { int nSeq = align.getHeight(); for (int i = 0; i < nSeq; i++) { - if (!seqs.contains(align.getSequenceAt(i))) + if (!tmp.contains(align.getSequenceAt(i))) { - seqs.addElement(align.getSequenceAt(i)); + tmp.add(align.getSequenceAt(i)); } } - if (nSeq != seqs.size()) + if (nSeq != tmp.size()) { System.err .println("ERROR: Size still not right even after addStrays"); @@ -556,8 +535,8 @@ public class AlignmentSorter * * @return DOCUMENT ME! */ - private static Vector _sortByTree(SequenceNode node, Vector tmp, - List seqset) + private static List _sortByTree(SequenceNode node, + List tmp, List seqset) { if (node == null) { @@ -577,7 +556,7 @@ public class AlignmentSorter // seqset.size()==0 || // seqset.contains(tmp))) { - tmp.addElement(node.element()); + tmp.add((SequenceI) node.element()); } } } @@ -724,13 +703,15 @@ public class AlignmentSorter public static void sortByFeature(String featureLabel, String groupLabel, int start, int stop, AlignmentI alignment, String method) { - sortByFeature(featureLabel == null ? null : new String[] - { featureLabel }, groupLabel == null ? null : new String[] - { groupLabel }, start, stop, alignment, method); + sortByFeature( + featureLabel == null ? null : Arrays.asList(new String[] + { featureLabel }), + groupLabel == null ? null : Arrays.asList(new String[] + { groupLabel }), start, stop, alignment, method); } private static boolean containsIgnoreCase(final String lab, - final String[] labs) + final List labs) { if (labs == null) { @@ -740,9 +721,9 @@ public class AlignmentSorter { return false; } - for (int q = 0; q < labs.length; q++) + for (String label : labs) { - if (labs[q] != null && lab.equalsIgnoreCase(labs[q])) + if (lab.equalsIgnoreCase(label)) { return true; } @@ -750,29 +731,51 @@ public class AlignmentSorter return false; } - public static void sortByFeature(String[] featureLabels, - String[] groupLabels, int start, int stop, AlignmentI alignment, - String method) + public static void sortByFeature(List featureLabels, + List groupLabels, int start, int stop, + AlignmentI alignment, String method) { if (method != FEATURE_SCORE && method != FEATURE_LABEL && method != FEATURE_DENSITY) { - throw new Error(MessageManager.getString("error.implementation_error_sortbyfeature")); + throw new Error(MessageManager + .getString("error.implementation_error_sortbyfeature")); } + boolean ignoreScore = method != FEATURE_SCORE; StringBuffer scoreLabel = new StringBuffer(); scoreLabel.append(start + stop + method); // This doesn't quite work yet - we'd like to have a canonical ordering that // can be preserved from call to call - for (int i = 0; featureLabels != null && i < featureLabels.length; i++) + if (featureLabels != null) + { + for (String label : featureLabels) + { + scoreLabel.append(label); + } + } + if (groupLabels != null) { - scoreLabel.append(featureLabels[i] == null ? "null" - : featureLabels[i]); + for (String label : groupLabels) + { + scoreLabel.append(label); + } } - for (int i = 0; groupLabels != null && i < groupLabels.length; i++) + + /* + * if resorting the same feature, toggle sort order + */ + if (lastSortByFeatureScore == null + || !scoreLabel.toString().equals(lastSortByFeatureScore)) { - scoreLabel.append(groupLabels[i] == null ? "null" : groupLabels[i]); + sortByFeatureScoreAscending = true; } + else + { + sortByFeatureScoreAscending = !sortByFeatureScoreAscending; + } + lastSortByFeatureScore = scoreLabel.toString(); + SequenceI[] seqs = alignment.getSequencesArray(); boolean[] hasScore = new boolean[seqs.length]; // per sequence score @@ -785,10 +788,6 @@ public class AlignmentSorter for (int i = 0; i < seqs.length; i++) { SequenceFeature[] sf = seqs[i].getSequenceFeatures(); - if (sf == null && seqs[i].getDatasetSequence() != null) - { - sf = seqs[i].getDatasetSequence().getSequenceFeatures(); - } if (sf == null) { sf = new SequenceFeature[0]; @@ -810,17 +809,22 @@ public class AlignmentSorter for (int f = 0; f < sf.length; f++) { // filter for selection criteria - if ( - // ignore features outwith alignment start-stop positions. - (sf[f].end < sstart || sf[f].begin > sstop) || - // or ignore based on selection criteria - (featureLabels != null && !AlignmentSorter - .containsIgnoreCase(sf[f].type, featureLabels)) - || (groupLabels != null - // problem here: we cannot eliminate null feature group features - && (sf[f].getFeatureGroup() != null && !AlignmentSorter - .containsIgnoreCase(sf[f].getFeatureGroup(), - groupLabels)))) + SequenceFeature feature = sf[f]; + + /* + * double-check feature overlaps columns (JAL-2544) + * (could avoid this with a findPositions(fromCol, toCol) method) + * findIndex returns base 1 column values, startCol/endCol are base 0 + */ + boolean noOverlap = seqs[i].findIndex(feature.getBegin()) > stop + 1 + || seqs[i].findIndex(feature.getEnd()) < start + 1; + boolean skipFeatureType = featureLabels != null && !AlignmentSorter + .containsIgnoreCase(feature.type, featureLabels); + boolean skipFeatureGroup = groupLabels != null + && (feature.getFeatureGroup() != null + && !AlignmentSorter.containsIgnoreCase( + feature.getFeatureGroup(), groupLabels)); + if (noOverlap || skipFeatureType || skipFeatureGroup) { // forget about this feature sf[f] = null; @@ -829,7 +833,7 @@ public class AlignmentSorter else { // or, also take a look at the scores if necessary. - if (!ignoreScore && sf[f].getScore() != Float.NaN) + if (!ignoreScore && !Float.isNaN(feature.getScore())) { if (seqScores[i] == 0) { @@ -837,7 +841,7 @@ public class AlignmentSorter } seqScores[i]++; hasScore[i] = true; - scores[i] += sf[f].getScore(); // take the first instance of this + scores[i] += feature.getScore(); // take the first instance of this // score. } } @@ -860,10 +864,11 @@ public class AlignmentSorter String[] labs = new String[fs.length]; for (int l = 0; l < labs.length; l++) { - labs[l] = (fs[l].getDescription() != null ? fs[l] - .getDescription() : fs[l].getType()); + labs[l] = (fs[l].getDescription() != null + ? fs[l].getDescription() + : fs[l].getType()); } - jalview.util.QuickSort.sort(labs, ((Object[]) feats[i])); + QuickSort.sort(labs, ((Object[]) feats[i])); } } if (hasScore[i]) @@ -906,58 +911,38 @@ public class AlignmentSorter } else { - int nf = (feats[i] == null) ? 0 - : ((SequenceFeature[]) feats[i]).length; - // System.err.println("Sorting on Score: seq "+seqs[i].getName()+ - // " Feats: "+nf+" Score : "+scores[i]); + // int nf = (feats[i] == null) ? 0 + // : ((SequenceFeature[]) feats[i]).length; + // // System.err.println("Sorting on Score: seq " + + // seqs[i].getName() + // + " Feats: " + nf + " Score : " + scores[i]); } } } - - jalview.util.QuickSort.sort(scores, seqs); + QuickSort.sortByDouble(scores, seqs, sortByFeatureScoreAscending); } else if (method == FEATURE_DENSITY) { - - // break ties between equivalent numbers for adjacent sequences by adding - // 1/Nseq*i on the original order - double fr = 0.9 / (1.0 * seqs.length); for (int i = 0; i < seqs.length; i++) { - double nf; - scores[i] = (0.05 + fr * i) - + (nf = ((feats[i] == null) ? 0.0 - : 1.0 * ((SequenceFeature[]) feats[i]).length)); + int featureCount = feats[i] == null ? 0 + : ((SequenceFeature[]) feats[i]).length; + scores[i] = featureCount; // System.err.println("Sorting on Density: seq "+seqs[i].getName()+ - // " Feats: "+nf+" Score : "+scores[i]); + // " Feats: "+featureCount+" Score : "+scores[i]); } - jalview.util.QuickSort.sort(scores, seqs); + QuickSort.sortByDouble(scores, seqs, sortByFeatureScoreAscending); } else { if (method == FEATURE_LABEL) { - throw new Error(MessageManager.getString("error.not_yet_implemented")); + throw new Error( + MessageManager.getString("error.not_yet_implemented")); } } - if (lastSortByFeatureScore == null - || !scoreLabel.toString().equals(lastSortByFeatureScore)) - { - sortByFeatureScoreAscending = true; - } - else - { - sortByFeatureScoreAscending = !sortByFeatureScoreAscending; - } - if (sortByFeatureScoreAscending) - { - setOrder(alignment, seqs); - } - else - { - setReverseOrder(alignment, seqs); - } - lastSortByFeatureScore = scoreLabel.toString(); + + setOrder(alignment, seqs); } }