/* * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) * Copyright (C) $$Year-Rel$$ The Jalview Authors * * This file is part of Jalview. * * Jalview is free software: you can redistribute it and/or * modify it under the terms of the GNU General Public License * as published by the Free Software Foundation, either version 3 * of the License, or (at your option) any later version. * * Jalview is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty * of MERCHANTABILITY or FITNESS FOR A PARTICULAR * PURPOSE. See the GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with Jalview. If not, see . * The Jalview Authors are detailed in the 'AUTHORS' file. */ package jalview.datamodel; import java.util.ArrayList; import java.util.Arrays; import java.util.BitSet; import java.util.Collection; import java.util.Collections; import java.util.Enumeration; import java.util.Iterator; import java.util.List; import java.util.ListIterator; import java.util.Vector; import fr.orsay.lri.varna.models.rna.RNA; import jalview.analysis.AlignSeq; import jalview.analysis.AlignmentUtils; import jalview.analysis.SeqsetUtils; import jalview.datamodel.features.SequenceFeatures; import jalview.datamodel.features.SequenceFeaturesI; import jalview.util.Comparison; import jalview.util.DBRefUtils; import jalview.util.MapList; import jalview.util.StringUtils; import jalview.ws.datamodel.alphafold.MappableContactMatrix; /** * * Implements the SequenceI interface for a char[] based sequence object */ public class Sequence extends ASequence implements SequenceI { /** * A subclass that gives us access to modCount, which tracks whether there * have been any changes. We use this to update * * @author hansonr * * @param */ @SuppressWarnings("serial") public class DBModList extends ArrayList { protected int getModCount() { return modCount; } } SequenceI datasetSequence; private String name; private char[] sequence; private String description; private int start; private int end; private Vector pdbIds; private String vamsasId; private DBModList dbrefs; // controlled access /** * a flag to let us know that elements have changed in dbrefs * * @author Bob Hanson */ private int refModCount = 0; private RNA rna; /** * This annotation is displayed below the alignment but the positions are tied * to the residues of this sequence * * TODO: change to List<> */ private Vector annotation; private SequenceFeaturesI sequenceFeatureStore; /* * A cursor holding the approximate current view position to the sequence, * as determined by findIndex or findPosition or findPositions. * Using a cursor as a hint allows these methods to be more performant for * large sequences. */ private SequenceCursor cursor; /* * A number that should be incremented whenever the sequence is edited. * If the value matches the cursor token, then we can trust the cursor, * if not then it should be recomputed. */ private int changeCount; /** * Creates a new Sequence object. * * @param name * display name string * @param sequence * string to form a possibly gapped sequence out of * @param start * first position of non-gap residue in the sequence * @param end * last position of ungapped residues (nearly always only used for * display purposes) */ public Sequence(String name, String sequence, int start, int end) { this(); initSeqAndName(name, sequence.toCharArray(), start, end); } public Sequence(String name, char[] sequence, int start, int end) { this(); initSeqAndName(name, sequence, start, end); } /** * Stage 1 constructor - assign name, sequence, and set start and end fields. * start and end are updated values from name2 if it ends with /start-end * * @param name2 * @param sequence2 * @param start2 * @param end2 */ protected void initSeqAndName(String name2, char[] sequence2, int start2, int end2) { this.name = name2; this.sequence = sequence2; this.start = start2; this.end = end2; parseId(); checkValidRange(); } /** * If 'name' ends in /i-j, where i >= j > 0 are integers, extracts i and j as * start and end respectively and removes the suffix from the name */ void parseId() { if (name == null) { jalview.bin.Console.errPrintln( "POSSIBLE IMPLEMENTATION ERROR: null sequence name passed to constructor."); name = ""; } int slashPos = name.lastIndexOf('/'); if (slashPos > -1 && slashPos < name.length() - 1) { String suffix = name.substring(slashPos + 1); String[] range = suffix.split("-"); if (range.length == 2) { try { int from = Integer.valueOf(range[0]); int to = Integer.valueOf(range[1]); if (from > 0 && to >= from) { name = name.substring(0, slashPos); setStart(from); setEnd(to); checkValidRange(); } } catch (NumberFormatException e) { // leave name unchanged if suffix is invalid } } } } /** * Ensures that 'end' is not before the end of the sequence, that is, * (end-start+1) is at least as long as the count of ungapped positions. Note * that end is permitted to be beyond the end of the sequence data. */ void checkValidRange() { // Note: JAL-774 : // http://issues.jalview.org/browse/JAL-774?focusedCommentId=11239&page=com.atlassian.jira.plugin.system.issuetabpanels:comment-tabpanel#comment-11239 { int endRes = 0; for (int j = 0; j < sequence.length; j++) { if (!Comparison.isGap(sequence[j])) { endRes++; } } if (endRes > 0) { endRes += start - 1; } if (end < endRes) { end = endRes; } } } /** * default constructor */ private Sequence() { sequenceFeatureStore = new SequenceFeatures(); } /** * Creates a new Sequence object. * * @param name * DOCUMENT ME! * @param sequence * DOCUMENT ME! */ public Sequence(String name, String sequence) { this(name, sequence, 1, -1); } /** * Creates a new Sequence object with new AlignmentAnnotations but inherits * any existing dataset sequence reference. If non exists, everything is * copied. * * @param seq * if seq is a dataset sequence, behaves like a plain old copy * constructor */ public Sequence(SequenceI seq) { this(seq, seq.getAnnotation()); } /** * Create a new sequence object with new features, DBRefEntries, and PDBIds * but inherits any existing dataset sequence reference, and duplicate of any * annotation that is present in the given annotation array. * * @param seq * the sequence to be copied * @param alAnnotation * an array of annotation including some associated with seq */ public Sequence(SequenceI seq, AlignmentAnnotation[] alAnnotation) { this(); initSeqFrom(seq, alAnnotation); } /** * does the heavy lifting when cloning a dataset sequence, or coping data from * dataset to a new derived sequence. * * @param seq * - source of attributes. * @param alAnnotation * - alignment annotation present on seq that should be copied onto * this sequence */ protected void initSeqFrom(SequenceI seq, AlignmentAnnotation[] alAnnotation) { char[] oseq = seq.getSequence(); // returns a copy of the array initSeqAndName(seq.getName(), oseq, seq.getStart(), seq.getEnd()); description = seq.getDescription(); if (seq != datasetSequence) { setDatasetSequence(seq.getDatasetSequence()); } /* * only copy DBRefs and seqfeatures if we really are a dataset sequence */ if (datasetSequence == null) { List dbr = seq.getDBRefs(); if (dbr != null) { for (int i = 0, n = dbr.size(); i < n; i++) { addDBRef(new DBRefEntry(dbr.get(i))); } } /* * make copies of any sequence features */ for (SequenceFeature sf : seq.getSequenceFeatures()) { addSequenceFeature(new SequenceFeature(sf)); } } if (seq.getAnnotation() != null) { AlignmentAnnotation[] sqann = seq.getAnnotation(); for (int i = 0; i < sqann.length; i++) { if (sqann[i] == null) { continue; } boolean found = (alAnnotation == null); if (!found) { for (int apos = 0; !found && apos < alAnnotation.length; apos++) { found = (alAnnotation[apos] == sqann[i]); } } if (found) { // only copy the given annotation AlignmentAnnotation newann = new AlignmentAnnotation(sqann[i]); ContactMatrixI cm = seq.getContactMatrixFor(sqann[i]); if (cm != null) { addContactListFor(newann, cm); } addAlignmentAnnotation(newann); } } } if (seq.getAllPDBEntries() != null) { Vector ids = seq.getAllPDBEntries(); for (PDBEntry pdb : ids) { this.addPDBId(new PDBEntry(pdb)); } } } @Override public void setSequenceFeatures(List features) { if (datasetSequence != null) { datasetSequence.setSequenceFeatures(features); return; } sequenceFeatureStore = new SequenceFeatures(features); } @Override public synchronized boolean addSequenceFeature(SequenceFeature sf) { if (sf.getType() == null) { jalview.bin.Console.errPrintln( "SequenceFeature type may not be null: " + sf.toString()); return false; } if (datasetSequence != null) { return datasetSequence.addSequenceFeature(sf); } return sequenceFeatureStore.add(sf); } @Override public void deleteFeature(SequenceFeature sf) { if (datasetSequence != null) { datasetSequence.deleteFeature(sf); } else { sequenceFeatureStore.delete(sf); } } /** * {@inheritDoc} * * @return */ @Override public List getSequenceFeatures() { if (datasetSequence != null) { return datasetSequence.getSequenceFeatures(); } return sequenceFeatureStore.getAllFeatures(); } @Override public SequenceFeaturesI getFeatures() { return datasetSequence != null ? datasetSequence.getFeatures() : sequenceFeatureStore; } @Override public boolean addPDBId(PDBEntry entry) { if (pdbIds == null) { pdbIds = new Vector<>(); pdbIds.add(entry); return true; } for (PDBEntry pdbe : pdbIds) { if (pdbe.updateFrom(entry)) { return false; } } pdbIds.addElement(entry); return true; } /** * DOCUMENT ME! * * @param id * DOCUMENT ME! */ @Override public void setPDBId(Vector id) { pdbIds = id; } /** * DOCUMENT ME! * * @return DOCUMENT ME! */ @Override public Vector getAllPDBEntries() { return pdbIds == null ? new Vector<>() : pdbIds; } /** * Answers the sequence name, with '/start-end' appended if jvsuffix is true * * @return */ @Override public String getDisplayId(boolean jvsuffix) { if (!jvsuffix) { return name; } StringBuilder result = new StringBuilder(name); result.append("/").append(start).append("-").append(end); return result.toString(); } /** * Sets the sequence name. If the name ends in /start-end, then the start-end * values are parsed out and set, and the suffix is removed from the name. * * @param theName */ @Override public void setName(String theName) { this.name = theName; this.parseId(); } /** * DOCUMENT ME! * * @return DOCUMENT ME! */ @Override public String getName() { return this.name; } /** * DOCUMENT ME! * * @param start * DOCUMENT ME! */ @Override public void setStart(int start) { this.start = start; sequenceChanged(); } /** * DOCUMENT ME! * * @return DOCUMENT ME! */ @Override public int getStart() { return this.start; } /** * DOCUMENT ME! * * @param end * DOCUMENT ME! */ @Override public void setEnd(int end) { this.end = end; } /** * DOCUMENT ME! * * @return DOCUMENT ME! */ @Override public int getEnd() { return this.end; } /** * DOCUMENT ME! * * @return DOCUMENT ME! */ @Override public int getLength() { return this.sequence.length; } /** * DOCUMENT ME! * * @param seq * DOCUMENT ME! */ @Override public void setSequence(String seq) { this.sequence = seq.toCharArray(); checkValidRange(); sequenceChanged(); } @Override public String getSequenceAsString() { return new String(sequence); } @Override public String getSequenceAsString(int start, int end) { return new String(getSequence(start, end)); } @Override public char[] getSequence() { // return sequence; return sequence == null ? null : Arrays.copyOf(sequence, sequence.length); } /* * (non-Javadoc) * * @see jalview.datamodel.SequenceI#getSequence(int, int) */ @Override public char[] getSequence(int start, int end) { if (start < 0) { start = 0; } // JBPNote - left to user to pad the result here (TODO:Decide on this // policy) if (start >= sequence.length) { return new char[0]; } if (end >= sequence.length) { end = sequence.length; } char[] reply = new char[end - start]; System.arraycopy(sequence, start, reply, 0, end - start); return reply; } @Override public SequenceI getSubSequence(int start, int end) { if (start < 0) { start = 0; } char[] seq = getSequence(start, end); if (seq.length == 0) { return null; } int nstart = findPosition(start); int nend = findPosition(end) - 1; // JBPNote - this is an incomplete copy. SequenceI nseq = new Sequence(this.getName(), seq, nstart, nend); nseq.setDescription(description); if (datasetSequence != null) { nseq.setDatasetSequence(datasetSequence); } else { nseq.setDatasetSequence(this); } return nseq; } /** * Returns the character of the aligned sequence at the given position (base * zero), or space if the position is not within the sequence's bounds * * @return */ @Override public char getCharAt(int i) { if (i >= 0 && i < sequence.length) { return sequence[i]; } else { return ' '; } } /** * Sets the sequence description, and also parses out any special formats of * interest * * @param desc */ @Override public void setDescription(String desc) { this.description = desc; } @Override public void setGeneLoci(String speciesId, String assemblyId, String chromosomeId, MapList map) { addDBRef(new GeneLocus(speciesId, assemblyId, chromosomeId, new Mapping(map))); } /** * Returns the gene loci mapping for the sequence (may be null) * * @return */ @Override public GeneLociI getGeneLoci() { List refs = getDBRefs(); if (refs != null) { for (final DBRefEntry ref : refs) { if (ref instanceof GeneLociI) { return (GeneLociI) ref; } } } return null; } /** * Answers the description * * @return */ @Override public String getDescription() { return this.description; } /** * {@inheritDoc} */ @Override public int findIndex(int pos) { /* * use a valid, hopefully nearby, cursor if available */ if (isValidCursor(cursor)) { return findIndex(pos, cursor); } int j = start; int i = 0; int startColumn = 0; /* * traverse sequence from the start counting gaps; make a note of * the column of the first residue to save in the cursor */ while ((i < sequence.length) && (j <= end) && (j <= pos)) { if (!Comparison.isGap(sequence[i])) { if (j == start) { startColumn = i; } j++; } i++; } if (j == end && j < pos) { return end + 1; } updateCursor(pos, i, startColumn); return i; } /** * Updates the cursor to the latest found residue and column position * * @param residuePos * (start..) * @param column * (1..) * @param startColumn * column position of the first sequence residue */ protected void updateCursor(int residuePos, int column, int startColumn) { /* * preserve end residue column provided cursor was valid */ int endColumn = isValidCursor(cursor) ? cursor.lastColumnPosition : 0; if (residuePos == this.end) { endColumn = column; } cursor = new SequenceCursor(this, residuePos, column, startColumn, endColumn, this.changeCount); } /** * Answers the aligned column position (1..) for the given residue position * (start..) given a 'hint' of a residue/column location in the neighbourhood. * The hint may be left of, at, or to the right of the required position. * * @param pos * @param curs * @return */ protected int findIndex(final int pos, SequenceCursor curs) { if (!isValidCursor(curs)) { /* * wrong or invalidated cursor, compute de novo */ return findIndex(pos); } if (curs.residuePosition == pos) { return curs.columnPosition; } /* * move left or right to find pos from hint.position */ int col = curs.columnPosition - 1; // convert from base 1 to base 0 int newPos = curs.residuePosition; int delta = newPos > pos ? -1 : 1; while (newPos != pos) { col += delta; // shift one column left or right if (col < 0) { break; } if (col == sequence.length) { col--; // return last column if we failed to reach pos break; } if (!Comparison.isGap(sequence[col])) { newPos += delta; } } col++; // convert back to base 1 /* * only update cursor if we found the target position */ if (newPos == pos) { updateCursor(pos, col, curs.firstColumnPosition); } return col; } /** * {@inheritDoc} */ @Override public int findPosition(final int column) { /* * use a valid, hopefully nearby, cursor if available */ if (isValidCursor(cursor)) { return findPosition(column + 1, cursor); } // TODO recode this more naturally i.e. count residues only // as they are found, not 'in anticipation' /* * traverse the sequence counting gaps; note the column position * of the first residue, to save in the cursor */ int firstResidueColumn = 0; int lastPosFound = 0; int lastPosFoundColumn = 0; int seqlen = sequence.length; if (seqlen > 0 && !Comparison.isGap(sequence[0])) { lastPosFound = start; lastPosFoundColumn = 0; } int j = 0; int pos = start; while (j < column && j < seqlen) { if (!Comparison.isGap(sequence[j])) { lastPosFound = pos; lastPosFoundColumn = j; if (pos == this.start) { firstResidueColumn = j; } pos++; } j++; } if (j < seqlen && !Comparison.isGap(sequence[j])) { lastPosFound = pos; lastPosFoundColumn = j; if (pos == this.start) { firstResidueColumn = j; } } /* * update the cursor to the last residue position found (if any) * (converting column position to base 1) */ if (lastPosFound != 0) { updateCursor(lastPosFound, lastPosFoundColumn + 1, firstResidueColumn + 1); } return pos; } /** * Answers true if the given cursor is not null, is for this sequence object, * and has a token value that matches this object's changeCount, else false. * This allows us to ignore a cursor as 'stale' if the sequence has been * modified since the cursor was created. * * @param curs * @return */ protected boolean isValidCursor(SequenceCursor curs) { if (curs == null || curs.sequence != this || curs.token != changeCount) { return false; } /* * sanity check against range */ if (curs.columnPosition < 0 || curs.columnPosition > sequence.length) { return false; } if (curs.residuePosition < start || curs.residuePosition > end) { return false; } return true; } /** * Answers the sequence position (start..) for the given aligned column * position (1..), given a hint of a cursor in the neighbourhood. The cursor * may lie left of, at, or to the right of the column position. * * @param col * @param curs * @return */ protected int findPosition(final int col, SequenceCursor curs) { if (!isValidCursor(curs)) { /* * wrong or invalidated cursor, compute de novo */ return findPosition(col - 1);// ugh back to base 0 } if (curs.columnPosition == col) { cursor = curs; // in case this method becomes public return curs.residuePosition; // easy case :-) } if (curs.lastColumnPosition > 0 && curs.lastColumnPosition < col) { /* * sequence lies entirely to the left of col * - return last residue + 1 */ return end + 1; } if (curs.firstColumnPosition > 0 && curs.firstColumnPosition > col) { /* * sequence lies entirely to the right of col * - return first residue */ return start; } // todo could choose closest to col out of column, // firstColumnPosition, lastColumnPosition as a start point /* * move left or right to find pos from cursor position */ int firstResidueColumn = curs.firstColumnPosition; int column = curs.columnPosition - 1; // to base 0 int newPos = curs.residuePosition; int delta = curs.columnPosition > col ? -1 : 1; boolean gapped = false; int lastFoundPosition = curs.residuePosition; int lastFoundPositionColumn = curs.columnPosition; while (column != col - 1) { column += delta; // shift one column left or right if (column < 0 || column == sequence.length) { break; } gapped = Comparison.isGap(sequence[column]); if (!gapped) { newPos += delta; lastFoundPosition = newPos; lastFoundPositionColumn = column + 1; if (lastFoundPosition == this.start) { firstResidueColumn = column + 1; } } } if (cursor == null || lastFoundPosition != cursor.residuePosition) { updateCursor(lastFoundPosition, lastFoundPositionColumn, firstResidueColumn); } /* * hack to give position to the right if on a gap * or beyond the length of the sequence (see JAL-2562) */ if (delta > 0 && (gapped || column >= sequence.length)) { newPos++; } return newPos; } /** * {@inheritDoc} */ @Override public ContiguousI findPositions(int fromColumn, int toColumn) { if (toColumn < fromColumn || fromColumn < 1) { return null; } /* * find the first non-gapped position, if any */ int firstPosition = 0; int col = fromColumn - 1; int length = sequence.length; while (col < length && col < toColumn) { if (!Comparison.isGap(sequence[col])) { firstPosition = findPosition(col++); break; } col++; } if (firstPosition == 0) { return null; } /* * find the last non-gapped position */ int lastPosition = firstPosition; while (col < length && col < toColumn) { if (!Comparison.isGap(sequence[col++])) { lastPosition++; } } return new Range(firstPosition, lastPosition); } /** * Returns an int array where indices correspond to each residue in the * sequence and the element value gives its position in the alignment * * @return int[SequenceI.getEnd()-SequenceI.getStart()+1] or null if no * residues in SequenceI object */ @Override public int[] gapMap() { String seq = jalview.analysis.AlignSeq.extractGaps( jalview.util.Comparison.GapChars, new String(sequence)); int[] map = new int[seq.length()]; int j = 0; int p = 0; while (j < sequence.length) { if (!jalview.util.Comparison.isGap(sequence[j])) { map[p++] = j; } j++; } return map; } /** * Build a bitset corresponding to sequence gaps * * @return a BitSet where set values correspond to gaps in the sequence */ @Override public BitSet gapBitset() { BitSet gaps = new BitSet(sequence.length); int j = 0; while (j < sequence.length) { if (jalview.util.Comparison.isGap(sequence[j])) { gaps.set(j); } j++; } return gaps; } @Override public int[] findPositionMap() { int map[] = new int[sequence.length]; int j = 0; int pos = start; int seqlen = sequence.length; while ((j < seqlen)) { map[j] = pos; if (!jalview.util.Comparison.isGap(sequence[j])) { pos++; } j++; } return map; } @Override public List getInsertions() { ArrayList map = new ArrayList<>(); int lastj = -1, j = 0; // int pos = start; int seqlen = sequence.length; while ((j < seqlen)) { if (jalview.util.Comparison.isGap(sequence[j])) { if (lastj == -1) { lastj = j; } } else { if (lastj != -1) { map.add(new int[] { lastj, j - 1 }); lastj = -1; } } j++; } if (lastj != -1) { map.add(new int[] { lastj, j - 1 }); lastj = -1; } return map; } @Override public BitSet getInsertionsAsBits() { BitSet map = new BitSet(); int lastj = -1, j = 0; // int pos = start; int seqlen = sequence.length; while ((j < seqlen)) { if (jalview.util.Comparison.isGap(sequence[j])) { if (lastj == -1) { lastj = j; } } else { if (lastj != -1) { map.set(lastj, j); lastj = -1; } } j++; } if (lastj != -1) { map.set(lastj, j); lastj = -1; } return map; } @Override public void deleteChars(final int i, final int j) { int newstart = start, newend = end; if (i >= sequence.length || i < 0) { return; } char[] tmp = StringUtils.deleteChars(sequence, i, j); boolean createNewDs = false; // TODO: take a (second look) at the dataset creation validation method for // the very large sequence case int startIndex = findIndex(start) - 1; int endIndex = findIndex(end) - 1; int startDeleteColumn = -1; // for dataset sequence deletions int deleteCount = 0; for (int s = i; s < j && s < sequence.length; s++) { if (Comparison.isGap(sequence[s])) { continue; } deleteCount++; if (startDeleteColumn == -1) { startDeleteColumn = findPosition(s) - start; } if (createNewDs) { newend--; } else { if (startIndex == s) { /* * deleting characters from start of sequence; new start is the * sequence position of the next column (position to the right * if the column position is gapped) */ newstart = findPosition(j); break; } else { if (endIndex < j) { /* * deleting characters at end of sequence; new end is the sequence * position of the column before the deletion; subtract 1 if this is * gapped since findPosition returns the next sequence position */ newend = findPosition(i - 1); if (Comparison.isGap(sequence[i - 1])) { newend--; } break; } else { createNewDs = true; newend--; } } } } if (createNewDs && this.datasetSequence != null) { /* * if deletion occured in the middle of the sequence, * construct a new dataset sequence and delete the residues * that were deleted from the aligned sequence */ Sequence ds = new Sequence(datasetSequence); ds.deleteChars(startDeleteColumn, startDeleteColumn + deleteCount); datasetSequence = ds; // TODO: remove any non-inheritable properties ? // TODO: create a sequence mapping (since there is a relation here ?) } start = newstart; end = newend; sequence = tmp; sequenceChanged(); } @Override public void insertCharAt(int i, int length, char c) { char[] tmp = new char[sequence.length + length]; if (i >= sequence.length) { System.arraycopy(sequence, 0, tmp, 0, sequence.length); i = sequence.length; } else { System.arraycopy(sequence, 0, tmp, 0, i); } int index = i; while (length > 0) { tmp[index++] = c; length--; } if (i < sequence.length) { System.arraycopy(sequence, i, tmp, index, sequence.length - i); } sequence = tmp; sequenceChanged(); } @Override public void insertCharAt(int i, char c) { insertCharAt(i, 1, c); } @Override public String getVamsasId() { return vamsasId; } @Override public void setVamsasId(String id) { vamsasId = id; } @Deprecated @Override public void setDBRefs(DBModList newDBrefs) { if (dbrefs == null && datasetSequence != null && this != datasetSequence) { datasetSequence.setDBRefs(newDBrefs); return; } dbrefs = newDBrefs; refModCount = 0; } @Override public DBModList getDBRefs() { if (dbrefs == null && datasetSequence != null && this != datasetSequence) { return datasetSequence.getDBRefs(); } return dbrefs; } @Override public void addDBRef(DBRefEntry entry) { // TODO JAL-3980 maintain as sorted list if (datasetSequence != null) { datasetSequence.addDBRef(entry); return; } if (dbrefs == null) { dbrefs = new DBModList<>(); } // TODO JAL-3979 LOOK UP RATHER THAN SWEEP FOR EFFICIENCY for (int ib = 0, nb = dbrefs.size(); ib < nb; ib++) { if (dbrefs.get(ib).updateFrom(entry)) { /* * found a dbref that either matched, or could be * updated from, the new entry - no need to add it */ return; } } // /// BH OUCH! // /* // * extend the array to make room for one more // */ // // TODO use an ArrayList instead // int j = dbrefs.length; // List temp = new DBRefEntry[j + 1]; // System.arraycopy(dbrefs, 0, temp, 0, j); // temp[temp.length - 1] = entry; // // dbrefs = temp; dbrefs.add(entry); } @Override public void setDatasetSequence(SequenceI seq) { if (seq == this) { throw new IllegalArgumentException( "Implementation Error: self reference passed to SequenceI.setDatasetSequence"); } if (seq != null && seq.getDatasetSequence() != null) { throw new IllegalArgumentException( "Implementation error: cascading dataset sequences are not allowed."); } datasetSequence = seq; } @Override public SequenceI getDatasetSequence() { return datasetSequence; } @Override public AlignmentAnnotation[] getAnnotation() { return annotation == null ? null : annotation .toArray(new AlignmentAnnotation[annotation.size()]); } @Override public boolean hasAnnotation(AlignmentAnnotation ann) { return annotation == null ? false : annotation.contains(ann); } @Override public void addAlignmentAnnotation(AlignmentAnnotation annotation) { if (this.annotation == null) { this.annotation = new Vector<>(); } if (!this.annotation.contains(annotation)) { this.annotation.addElement(annotation); } annotation.setSequenceRef(this); } @Override public void removeAlignmentAnnotation(AlignmentAnnotation annotation) { if (this.annotation != null) { this.annotation.removeElement(annotation); if (this.annotation.size() == 0) { this.annotation = null; } } } /** * test if this is a valid candidate for another sequence's dataset sequence. * */ private boolean isValidDatasetSequence() { if (datasetSequence != null) { return false; } for (int i = 0; i < sequence.length; i++) { if (jalview.util.Comparison.isGap(sequence[i])) { return false; } } return true; } @Override public SequenceI deriveSequence() { Sequence seq = null; if (datasetSequence == null) { if (isValidDatasetSequence()) { // Use this as dataset sequence seq = new Sequence(getName(), "", 1, -1); seq.setDatasetSequence(this); seq.initSeqFrom(this, getAnnotation()); return seq; } else { // Create a new, valid dataset sequence createDatasetSequence(); } } return new Sequence(this); } private boolean _isNa; private int _seqhash = 0; private List primaryRefs; /** * Answers false if the sequence is more than 85% nucleotide (ACGTU), else * true */ @Override public boolean isProtein() { if (datasetSequence != null) { return datasetSequence.isProtein(); } if (_seqhash != sequence.hashCode()) { _seqhash = sequence.hashCode(); _isNa = Comparison.isNucleotide(this); } return !_isNa; } /* * (non-Javadoc) * * @see jalview.datamodel.SequenceI#createDatasetSequence() */ @Override public SequenceI createDatasetSequence() { if (datasetSequence == null) { Sequence dsseq = new Sequence(getName(), AlignSeq.extractGaps(jalview.util.Comparison.GapChars, getSequenceAsString()), getStart(), getEnd()); datasetSequence = dsseq; dsseq.setDescription(description); // move features and database references onto dataset sequence dsseq.sequenceFeatureStore = sequenceFeatureStore; sequenceFeatureStore = null; dsseq.dbrefs = dbrefs; dbrefs = null; // TODO: search and replace any references to this sequence with // references to the dataset sequence in Mappings on dbref dsseq.pdbIds = pdbIds; pdbIds = null; datasetSequence.updatePDBIds(); if (annotation != null) { // annotation is cloned rather than moved, to preserve what's currently // on the alignment for (AlignmentAnnotation aa : annotation) { AlignmentAnnotation _aa = new AlignmentAnnotation(aa); _aa.sequenceRef = datasetSequence; _aa.adjustForAlignment(); // uses annotation's own record of // sequence-column mapping datasetSequence.addAlignmentAnnotation(_aa); if (_cmholder != null) { // transfer contact matrices ContactMatrixI cm = _cmholder.getContactMatrixFor(aa); if (cm != null) { datasetSequence.addContactListFor(_aa, cm); datasetSequence.addContactListFor(aa, cm); } } } } // all matrices should have been transferred. so we clear the local holder _cmholder = null; } return datasetSequence; } /* * (non-Javadoc) * * @see * jalview.datamodel.SequenceI#setAlignmentAnnotation(AlignmmentAnnotation[] * annotations) */ @Override public void setAlignmentAnnotation(AlignmentAnnotation[] annotations) { if (annotation != null) { annotation.removeAllElements(); } if (annotations != null) { for (int i = 0; i < annotations.length; i++) { if (annotations[i] != null) { addAlignmentAnnotation(annotations[i]); } } } } @Override public AlignmentAnnotation[] getAnnotation(String label) { if (annotation == null || annotation.size() == 0) { return null; } Vector subset = new Vector<>(); Enumeration e = annotation.elements(); while (e.hasMoreElements()) { AlignmentAnnotation ann = e.nextElement(); if (ann.label != null && ann.label.equals(label)) { subset.addElement(ann); } } if (subset.size() == 0) { return null; } AlignmentAnnotation[] anns = new AlignmentAnnotation[subset.size()]; int i = 0; e = subset.elements(); while (e.hasMoreElements()) { anns[i++] = e.nextElement(); } subset.removeAllElements(); return anns; } @Override public boolean updatePDBIds() { if (datasetSequence != null) { // TODO: could merge DBRefs return datasetSequence.updatePDBIds(); } if (dbrefs == null || dbrefs.size() == 0) { return false; } boolean added = false; for (int ib = 0, nb = dbrefs.size(); ib < nb; ib++) { DBRefEntry dbr = dbrefs.get(ib); if (DBRefSource.PDB.equals(dbr.getSource())) { /* * 'Add' any PDB dbrefs as a PDBEntry - add is only performed if the * PDB id is not already present in a 'matching' PDBEntry * Constructor parses out a chain code if appended to the accession id * (a fudge used to 'store' the chain code in the DBRef) */ PDBEntry pdbe = new PDBEntry(dbr); added |= addPDBId(pdbe); } } return added; } @Override public void transferAnnotation(SequenceI entry, Mapping mp) { if (datasetSequence != null) { datasetSequence.transferAnnotation(entry, mp); return; } if (entry.getDatasetSequence() != null) { transferAnnotation(entry.getDatasetSequence(), mp); return; } // transfer from entry to sequence // if entry has a description and sequence doesn't, then transfer if (entry.getDescription() != null && (description == null || description.trim().length() == 0)) { description = entry.getDescription(); } // transfer any new features from entry onto sequence if (entry.getSequenceFeatures() != null) { List sfs = entry.getSequenceFeatures(); for (SequenceFeature feature : sfs) { SequenceFeature sf[] = (mp != null) ? mp.locateFeature(feature) : new SequenceFeature[] { new SequenceFeature(feature) }; if (sf != null) { for (int sfi = 0; sfi < sf.length; sfi++) { addSequenceFeature(sf[sfi]); } } } } // transfer PDB entries if (entry.getAllPDBEntries() != null) { Enumeration e = entry.getAllPDBEntries().elements(); while (e.hasMoreElements()) { PDBEntry pdb = e.nextElement(); addPDBId(pdb); } } // transfer database references List entryRefs = entry.getDBRefs(); if (entryRefs != null) { for (int r = 0, n = entryRefs.size(); r < n; r++) { DBRefEntry newref = new DBRefEntry(entryRefs.get(r)); if (newref.getMap() != null && mp != null) { // remap ref using our local mapping } // we also assume all version string setting is done by dbSourceProxy /* * if (!newref.getSource().equalsIgnoreCase(dbSource)) { * newref.setSource(dbSource); } */ addDBRef(newref); } } } @Override public void setRNA(RNA r) { rna = r; } @Override public RNA getRNA() { return rna; } @Override public List getAlignmentAnnotations(String calcId, String label) { return getAlignmentAnnotations(calcId, label, null, true); } @Override public List getAlignmentAnnotations(String calcId, String label, String description) { return getAlignmentAnnotations(calcId, label, description, false); } private List getAlignmentAnnotations(String calcId, String label, String description, boolean ignoreDescription) { List result = new ArrayList<>(); if (this.annotation != null) { for (AlignmentAnnotation ann : annotation) { if ((ann.calcId != null && ann.calcId.equals(calcId)) && (ann.label != null && ann.label.equals(label)) && ((ignoreDescription && description == null) || (ann.description != null && ann.description.equals(description)))) { result.add(ann); } } } return result; } @Override public String toString() { return getDisplayId(false); } @Override public PDBEntry getPDBEntry(String pdbIdStr) { if (getDatasetSequence() != null) { return getDatasetSequence().getPDBEntry(pdbIdStr); } if (pdbIds == null) { return null; } List entries = getAllPDBEntries(); for (PDBEntry entry : entries) { if (entry.getId().equalsIgnoreCase(pdbIdStr)) { return entry; } } return null; } private List tmpList; @Override public List getPrimaryDBRefs() { if (datasetSequence != null) { return datasetSequence.getPrimaryDBRefs(); } if (dbrefs == null || dbrefs.size() == 0) { return Collections.emptyList(); } synchronized (dbrefs) { if (refModCount == dbrefs.getModCount() && primaryRefs != null) { return primaryRefs; // no changes } refModCount = dbrefs.getModCount(); List primaries = (primaryRefs == null ? (primaryRefs = new ArrayList<>()) : primaryRefs); primaries.clear(); if (tmpList == null) { tmpList = new ArrayList<>(); tmpList.add(null); // for replacement } for (int i = 0, n = dbrefs.size(); i < n; i++) { DBRefEntry ref = dbrefs.get(i); if (!ref.isPrimaryCandidate()) { continue; } if (ref.hasMap()) { MapList mp = ref.getMap().getMap(); if (mp.getFromLowest() > start || mp.getFromHighest() < end) { // map only involves a subsequence, so cannot be primary continue; } } // whilst it looks like it is a primary ref, we also sanity check type if (DBRefSource.PDB_CANONICAL_NAME .equals(ref.getCanonicalSourceName())) { // PDB dbrefs imply there should be a PDBEntry associated // TODO: tighten PDB dbrefs // formally imply Jalview has actually downloaded and // parsed the pdb file. That means there should be a cached file // handle on the PDBEntry, and a real mapping between sequence and // extracted sequence from PDB file PDBEntry pdbentry = getPDBEntry(ref.getAccessionId()); if (pdbentry == null || pdbentry.getFile() == null) { continue; } } else { // check standard protein or dna sources tmpList.set(0, ref); List res = DBRefUtils.selectDbRefs(!isProtein(), tmpList); if (res == null || res.get(0) != tmpList.get(0)) { continue; } } primaries.add(ref); } // version must be not null, as otherwise it will not be a candidate, // above DBRefUtils.ensurePrimaries(this, primaries); return primaries; } } /** * {@inheritDoc} */ @Override public List findFeatures(int fromColumn, int toColumn, String... types) { int startPos = findPosition(fromColumn - 1); // convert base 1 to base 0 int endPos = fromColumn == toColumn ? startPos : findPosition(toColumn - 1); List result = getFeatures().findFeatures(startPos, endPos, types); /* * if end column is gapped, endPos may be to the right, * and we may have included adjacent or enclosing features; * remove any that are not enclosing, non-contact features */ boolean endColumnIsGapped = toColumn > 0 && toColumn <= sequence.length && Comparison.isGap(sequence[toColumn - 1]); if (endPos > this.end || endColumnIsGapped) { ListIterator it = result.listIterator(); while (it.hasNext()) { SequenceFeature sf = it.next(); int sfBegin = sf.getBegin(); int sfEnd = sf.getEnd(); int featureStartColumn = findIndex(sfBegin); if (featureStartColumn > toColumn) { it.remove(); } else if (featureStartColumn < fromColumn) { int featureEndColumn = sfEnd == sfBegin ? featureStartColumn : findIndex(sfEnd); if (featureEndColumn < fromColumn) { it.remove(); } else if (featureEndColumn > toColumn && sf.isContactFeature()) { /* * remove an enclosing feature if it is a contact feature */ it.remove(); } } } } return result; } /** * Invalidates any stale cursors (forcing recalculation) by incrementing the * token that has to match the one presented by the cursor */ @Override public void sequenceChanged() { changeCount++; } /** * {@inheritDoc} */ @Override public int replace(char c1, char c2) { if (c1 == c2) { return 0; } int count = 0; synchronized (sequence) { for (int c = 0; c < sequence.length; c++) { if (sequence[c] == c1) { sequence[c] = c2; count++; } } } if (count > 0) { sequenceChanged(); } return count; } @Override public String getSequenceStringFromIterator(Iterator it) { StringBuilder newSequence = new StringBuilder(); while (it.hasNext()) { int[] block = it.next(); if (it.hasNext()) { newSequence.append(getSequence(block[0], block[1] + 1)); } else { newSequence.append(getSequence(block[0], block[1])); } } return newSequence.toString(); } @Override public int firstResidueOutsideIterator(Iterator regions) { int start = 0; if (!regions.hasNext()) { return findIndex(getStart()) - 1; } // Simply walk along the sequence whilst watching for region // boundaries int hideStart = getLength(); int hideEnd = -1; boolean foundStart = false; // step through the non-gapped positions of the sequence for (int i = getStart(); i <= getEnd() && (!foundStart); i++) { // get alignment position of this residue in the sequence int p = findIndex(i) - 1; // update region start/end while (hideEnd < p && regions.hasNext()) { int[] region = regions.next(); hideStart = region[0]; hideEnd = region[1]; } if (hideEnd < p) { hideStart = getLength(); } // update boundary for sequence if (p < hideStart) { start = p; foundStart = true; } } if (foundStart) { return start; } // otherwise, sequence was completely hidden return 0; } //// //// Contact Matrix Holder Boilerplate //// ContactMapHolderI _cmholder = null; private ContactMapHolderI getContactMapHolder() { if (datasetSequence != null) { return ((Sequence) datasetSequence).getContactMapHolder(); } if (_cmholder == null) { _cmholder = new ContactMapHolder(); } return _cmholder; } @Override public Collection getContactMaps() { return getContactMapHolder().getContactMaps(); } @Override public ContactMatrixI getContactMatrixFor(AlignmentAnnotation ann) { return getContactMapHolder().getContactMatrixFor(ann); } @Override public ContactListI getContactListFor(AlignmentAnnotation _aa, int column) { return getContactMapHolder().getContactListFor(_aa, column); } @Override public AlignmentAnnotation addContactList(ContactMatrixI cm) { AlignmentAnnotation aa; if (datasetSequence != null) { aa = datasetSequence.addContactList(cm); // clone the annotation for the local sequence aa = new AlignmentAnnotation(aa); aa.restrict(start, end); aa.adjustForAlignment(); getContactMapHolder().addContactListFor(aa, cm); addAlignmentAnnotation(aa); return aa; } // construct new annotation for matrix on dataset sequence aa = getContactMapHolder().addContactList(cm); Annotation _aa[] = new Annotation[getLength()]; for (int i = 0; i < _aa.length; _aa[i++] = new Annotation(0.0f)) { ; } aa.annotations = _aa; aa.setSequenceRef(this); if (cm instanceof MappableContactMatrix && !((MappableContactMatrix) cm).hasReferenceSeq()) { ((MappableContactMatrix) cm).setRefSeq(this); } aa.createSequenceMapping(this, getStart(), false); addAlignmentAnnotation(aa); return aa; } @Override public void addContactListFor(AlignmentAnnotation annotation, ContactMatrixI cm) { getContactMapHolder().addContactListFor(annotation, cm); } }