/* * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.1) * Copyright (C) 2014 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 jalview.analysis.AlignSeq; import java.util.Enumeration; import java.util.Vector; /** * * Implements the SequenceI interface for a char[] based sequence object. * * @author $author$ * @version $Revision$ */ public class Sequence implements SequenceI { SequenceI datasetSequence; String name; private char[] sequence; String description; int start; int end; Vector pdbIds; String vamsasId; DBRefEntry[] dbrefs; /** * This annotation is displayed below the alignment but the positions are tied * to the residues of this sequence */ Vector annotation; /** * The index of the sequence in a MSA */ int index = -1; /** array of seuqence features - may not be null for a valid sequence object */ public SequenceFeature[] sequenceFeatures; /** * 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.name = name; this.sequence = sequence.toCharArray(); this.start = start; this.end = end; parseId(); checkValidRange(); } public Sequence(String name, char[] sequence, int start, int end) { this.name = name; this.sequence = sequence; this.start = start; this.end = end; parseId(); checkValidRange(); } com.stevesoft.pat.Regex limitrx = new com.stevesoft.pat.Regex( "[/][0-9]{1,}[-][0-9]{1,}$"); com.stevesoft.pat.Regex endrx = new com.stevesoft.pat.Regex("[0-9]{1,}$"); void parseId() { if (name == null) { System.err .println("POSSIBLE IMPLEMENTATION ERROR: null sequence name passed to constructor."); name = ""; } // Does sequence have the /start-end signiature? if (limitrx.search(name)) { name = limitrx.left(); endrx.search(limitrx.stringMatched()); setStart(Integer.parseInt(limitrx.stringMatched().substring(1, endrx.matchedFrom() - 1))); setEnd(Integer.parseInt(endrx.stringMatched())); } } 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 (!jalview.util.Comparison.isGap(sequence[j])) { endRes++; } } if (endRes > 0) { endRes += start - 1; } if (end < endRes) { end = endRes; } } } /** * 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 features, DBRefEntries, * AlignmentAnnotations, and PDBIds but inherits any existing dataset sequence * reference. * * @param seq * DOCUMENT ME! */ 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(seq.getName(), seq.getSequence(), seq.getStart(), seq.getEnd()); description = seq.getDescription(); if (seq.getSequenceFeatures() != null) { SequenceFeature[] sf = seq.getSequenceFeatures(); for (int i = 0; i < sf.length; i++) { addSequenceFeature(new SequenceFeature(sf[i])); } } setDatasetSequence(seq.getDatasetSequence()); if (datasetSequence == null && seq.getDBRef() != null) { // only copy DBRefs if we really are a dataset sequence DBRefEntry[] dbr = seq.getDBRef(); for (int i = 0; i < dbr.length; i++) { addDBRef(new DBRefEntry(dbr[i])); } } 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]); addAlignmentAnnotation(newann); } } } if (seq.getPDBId() != null) { Vector ids = seq.getPDBId(); Enumeration e = ids.elements(); while (e.hasMoreElements()) { this.addPDBId(new PDBEntry((PDBEntry) e.nextElement())); } } } /** * DOCUMENT ME! * * @param v * DOCUMENT ME! */ public void setSequenceFeatures(SequenceFeature[] features) { sequenceFeatures = features; } public synchronized void addSequenceFeature(SequenceFeature sf) { if (sequenceFeatures == null) { sequenceFeatures = new SequenceFeature[0]; } for (int i = 0; i < sequenceFeatures.length; i++) { if (sequenceFeatures[i].equals(sf)) { return; } } SequenceFeature[] temp = new SequenceFeature[sequenceFeatures.length + 1]; System.arraycopy(sequenceFeatures, 0, temp, 0, sequenceFeatures.length); temp[sequenceFeatures.length] = sf; sequenceFeatures = temp; } public void deleteFeature(SequenceFeature sf) { if (sequenceFeatures == null) { return; } int index = 0; for (index = 0; index < sequenceFeatures.length; index++) { if (sequenceFeatures[index].equals(sf)) { break; } } if (index == sequenceFeatures.length) { return; } int sfLength = sequenceFeatures.length; if (sfLength < 2) { sequenceFeatures = null; } else { SequenceFeature[] temp = new SequenceFeature[sfLength - 1]; System.arraycopy(sequenceFeatures, 0, temp, 0, index); if (index < sfLength) { System.arraycopy(sequenceFeatures, index + 1, temp, index, sequenceFeatures.length - index - 1); } sequenceFeatures = temp; } } /** * DOCUMENT ME! * * @return DOCUMENT ME! */ public SequenceFeature[] getSequenceFeatures() { return sequenceFeatures; } public void addPDBId(PDBEntry entry) { if (pdbIds == null) { pdbIds = new Vector(); } if (!pdbIds.contains(entry)) { pdbIds.addElement(entry); } } /** * DOCUMENT ME! * * @param id * DOCUMENT ME! */ public void setPDBId(Vector id) { pdbIds = id; } /** * DOCUMENT ME! * * @return DOCUMENT ME! */ public Vector getPDBId() { return pdbIds; } /** * DOCUMENT ME! * * @return DOCUMENT ME! */ public String getDisplayId(boolean jvsuffix) { StringBuffer result = new StringBuffer(name); if (jvsuffix) { result.append("/" + start + "-" + end); } return result.toString(); } /** * DOCUMENT ME! * * @param name * DOCUMENT ME! */ public void setName(String name) { this.name = name; this.parseId(); } /** * DOCUMENT ME! * * @return DOCUMENT ME! */ public String getName() { return this.name; } /** * DOCUMENT ME! * * @param start * DOCUMENT ME! */ public void setStart(int start) { this.start = start; } /** * DOCUMENT ME! * * @return DOCUMENT ME! */ public int getStart() { return this.start; } /** * DOCUMENT ME! * * @param end * DOCUMENT ME! */ public void setEnd(int end) { this.end = end; } /** * DOCUMENT ME! * * @return DOCUMENT ME! */ public int getEnd() { return this.end; } /** * DOCUMENT ME! * * @return DOCUMENT ME! */ public int getLength() { return this.sequence.length; } /** * DOCUMENT ME! * * @param seq * DOCUMENT ME! */ public void setSequence(String seq) { this.sequence = seq.toCharArray(); checkValidRange(); } public String getSequenceAsString() { return new String(sequence); } public String getSequenceAsString(int start, int end) { return new String(getSequence(start, end)); } public char[] getSequence() { return sequence; } /* * (non-Javadoc) * * @see jalview.datamodel.SequenceI#getSequence(int, int) */ 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; } /** * make a new Sequence object from start to end (including gaps) over this * seqeunce * * @param start * int * @param end * int * @return SequenceI */ 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; } /** * DOCUMENT ME! * * @param i * DOCUMENT ME! * * @return DOCUMENT ME! */ public char getCharAt(int i) { if (i < sequence.length) { return sequence[i]; } else { return ' '; } } /** * DOCUMENT ME! * * @param desc * DOCUMENT ME! */ public void setDescription(String desc) { this.description = desc; } /** * DOCUMENT ME! * * @return DOCUMENT ME! */ public String getDescription() { return this.description; } /* * (non-Javadoc) * * @see jalview.datamodel.SequenceI#findIndex(int) */ public int findIndex(int pos) { // returns the alignment position for a residue int j = start; int i = 0; // Rely on end being at least as long as the length of the sequence. while ((i < sequence.length) && (j <= end) && (j <= pos)) { if (!jalview.util.Comparison.isGap(sequence[i])) { j++; } i++; } if ((j == end) && (j < pos)) { return end + 1; } else { return i; } } /** * Returns the sequence position for an alignment position * * @param i * column index in alignment (from 1) * * @return residue number for residue (left of and) nearest ith column */ public int findPosition(int i) { int j = 0; int pos = start; int seqlen = sequence.length; while ((j < i) && (j < seqlen)) { if (!jalview.util.Comparison.isGap(sequence[j])) { pos++; } j++; } return pos; } /** * 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 */ 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; } /* * (non-Javadoc) * * @see jalview.datamodel.SequenceI#findPositionMap() */ 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; } /* * (non-Javadoc) * * @see jalview.datamodel.SequenceI#deleteChars(int, int) */ public void deleteChars(int i, int j) { int newstart = start, newend = end; if (i >= sequence.length) { return; } char[] tmp; if (j >= sequence.length) { tmp = new char[i]; System.arraycopy(sequence, 0, tmp, 0, i); j=sequence.length; } else { tmp = new char[sequence.length - j + i]; System.arraycopy(sequence, 0, tmp, 0, i); System.arraycopy(sequence, j, tmp, i, sequence.length - j); } boolean createNewDs = false; // TODO: take a look at the new dataset creation validation method below - // this could become time comsuming for large sequences - consider making it // more efficient for (int s = i; s < j; s++) { if (jalview.schemes.ResidueProperties.aaIndex[sequence[s]] != 23) { if (createNewDs) { newend--; } else { int sindex = findIndex(start) - 1; if (sindex == s) { // delete characters including start of sequence newstart = findPosition(j); break; // don't need to search for any more residue characters. } else { // delete characters after start. int eindex = findIndex(end) - 1; if (eindex < j) { // delete characters at end of sequence newend = findPosition(i - 1); break; // don't need to search for any more residue characters. } else { createNewDs = true; newend--; // decrease end position by one for the deleted residue // and search further } } } } } // deletion occured in the middle of the sequence if (createNewDs && this.datasetSequence != null) { // construct a new sequence Sequence ds = new Sequence(datasetSequence); // TODO: remove any non-inheritable properties ? // TODO: create a sequence mapping (since there is a relation here ?) ds.deleteChars(i, j); datasetSequence = ds; } start = newstart; end = newend; sequence = tmp; } /** * DOCUMENT ME! * * @param i * DOCUMENT ME! * @param c * DOCUMENT ME! * @param chop * DOCUMENT ME! */ 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; } public void insertCharAt(int i, char c) { insertCharAt(i, 1, c); } public String getVamsasId() { return vamsasId; } public void setVamsasId(String id) { vamsasId = id; } public void setDBRef(DBRefEntry[] dbref) { dbrefs = dbref; } public DBRefEntry[] getDBRef() { if (dbrefs == null && datasetSequence != null && this != datasetSequence) { return datasetSequence.getDBRef(); } return dbrefs; } public void addDBRef(DBRefEntry entry) { if (dbrefs == null) { dbrefs = new DBRefEntry[0]; } int i, iSize = dbrefs.length; for (i = 0; i < iSize; i++) { if (dbrefs[i].equalRef(entry)) { if (entry.getMap() != null) { if (dbrefs[i].getMap() == null) { // overwrite with 'superior' entry that contains a mapping. dbrefs[i] = entry; } } return; } } DBRefEntry[] temp = new DBRefEntry[iSize + 1]; System.arraycopy(dbrefs, 0, temp, 0, iSize); temp[temp.length - 1] = entry; dbrefs = temp; } public void setDatasetSequence(SequenceI seq) { datasetSequence = seq; } public SequenceI getDatasetSequence() { return datasetSequence; } public AlignmentAnnotation[] getAnnotation() { if (annotation == null) { return null; } AlignmentAnnotation[] ret = new AlignmentAnnotation[annotation.size()]; for (int r = 0; r < ret.length; r++) { ret[r] = (AlignmentAnnotation) annotation.elementAt(r); } return ret; } 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); } 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; } /* * (non-Javadoc) * * @see jalview.datamodel.SequenceI#deriveSequence() */ public SequenceI deriveSequence() { SequenceI seq = new Sequence(this); if (datasetSequence != null) { // duplicate current sequence with same dataset seq.setDatasetSequence(datasetSequence); } else { if (isValidDatasetSequence()) { // Use this as dataset sequence seq.setDatasetSequence(this); } else { // Create a new, valid dataset sequence SequenceI ds = seq; ds.setSequence(AlignSeq.extractGaps( jalview.util.Comparison.GapChars, new String(sequence))); setDatasetSequence(ds); ds.setSequenceFeatures(getSequenceFeatures()); seq = this; // and return this sequence as the derived sequence. } } return seq; } /* * (non-Javadoc) * * @see jalview.datamodel.SequenceI#createDatasetSequence() */ public SequenceI createDatasetSequence() { if (datasetSequence == null) { datasetSequence = new Sequence(getName(), AlignSeq.extractGaps( jalview.util.Comparison.GapChars, getSequenceAsString()), getStart(), getEnd()); datasetSequence.setSequenceFeatures(getSequenceFeatures()); datasetSequence.setDescription(getDescription()); setSequenceFeatures(null); // move database references onto dataset sequence datasetSequence.setDBRef(getDBRef()); setDBRef(null); datasetSequence.setPDBId(getPDBId()); setPDBId(null); datasetSequence.updatePDBIds(); if (annotation != null) { Vector _annot = annotation; annotation = null; for (AlignmentAnnotation aa : _annot) { aa.sequenceRef = datasetSequence; aa.adjustForAlignment(); // uses annotation's own record of // sequence-column mapping datasetSequence.addAlignmentAnnotation(aa); } } } return datasetSequence; } /* * (non-Javadoc) * * @see * jalview.datamodel.SequenceI#setAlignmentAnnotation(AlignmmentAnnotation[] * annotations) */ 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]); } } } /* * (non-Javadoc) * * @see jalview.datamodel.SequenceI#getAnnotation(java.lang.String) */ 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 = (AlignmentAnnotation) 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++] = (AlignmentAnnotation) e.nextElement(); } subset.removeAllElements(); return anns; } public boolean updatePDBIds() { if (datasetSequence != null) { // TODO: could merge DBRefs return datasetSequence.updatePDBIds(); } if (dbrefs == null || dbrefs.length == 0) { return false; } Vector newpdb = new Vector(); for (int i = 0; i < dbrefs.length; i++) { if (DBRefSource.PDB.equals(dbrefs[i].getSource())) { PDBEntry pdbe = new PDBEntry(); pdbe.setId(dbrefs[i].getAccessionId()); if (pdbIds == null || pdbIds.size() == 0) { newpdb.addElement(pdbe); } else { Enumeration en = pdbIds.elements(); boolean matched = false; while (!matched && en.hasMoreElements()) { PDBEntry anentry = (PDBEntry) en.nextElement(); if (anentry.getId().equals(pdbe.getId())) { matched = true; } } if (!matched) { newpdb.addElement(pdbe); } } } } if (newpdb.size() > 0) { Enumeration en = newpdb.elements(); while (en.hasMoreElements()) { addPDBId((PDBEntry) en.nextElement()); } return true; } return false; } /* * (non-Javadoc) * * @see * jalview.datamodel.SequenceI#transferAnnotation(jalview.datamodel.SequenceI, * jalview.datamodel.Mapping) */ 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 any new features from entry onto sequence if (entry.getSequenceFeatures() != null) { SequenceFeature[] sfs = entry.getSequenceFeatures(); for (int si = 0; si < sfs.length; si++) { SequenceFeature sf[] = (mp != null) ? mp.locateFeature(sfs[si]) : new SequenceFeature[] { new SequenceFeature(sfs[si]) }; if (sf != null && sf.length > 0) { for (int sfi = 0; sfi < sf.length; sfi++) { addSequenceFeature(sf[sfi]); } } } } // transfer PDB entries if (entry.getPDBId() != null) { Enumeration e = entry.getPDBId().elements(); while (e.hasMoreElements()) { PDBEntry pdb = (PDBEntry) e.nextElement(); addPDBId(pdb); } } // transfer database references DBRefEntry[] entryRefs = entry.getDBRef(); if (entryRefs != null) { for (int r = 0; r < entryRefs.length; r++) { DBRefEntry newref = new DBRefEntry(entryRefs[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); } } } /** * @return The index (zero-based) on this sequence in the MSA. It returns * {@code -1} if this information is not available. */ public int getIndex() { return index; } /** * Defines the position of this sequence in the MSA. Use the value {@code -1} * if this information is undefined. * * @param The * position for this sequence. This value is zero-based (zero for * this first sequence) */ public void setIndex(int value) { index = value; } }