X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fdatamodel%2FSequence.java;h=c8b94cecf83e3d4710d2186fc8d0b4a551b03d4d;hb=37de9310bec3501cbc6381e0c3dcb282fcaad812;hp=cab1ac7569f8ecc551f146db55a7a2cf32e44a0b;hpb=d62b90cb6effb7b380e5f7d590691dd884b024cf;p=jalview.git diff --git a/src/jalview/datamodel/Sequence.java b/src/jalview/datamodel/Sequence.java index cab1ac7..c8b94ce 100755 --- a/src/jalview/datamodel/Sequence.java +++ b/src/jalview/datamodel/Sequence.java @@ -20,16 +20,22 @@ */ package jalview.datamodel; +import jalview.analysis.AlignSeq; +import jalview.api.DBRefEntryI; +import jalview.util.Comparison; +import jalview.util.DBRefUtils; +import jalview.util.MapList; +import jalview.util.StringUtils; + import java.util.ArrayList; +import java.util.Arrays; +import java.util.Collections; import java.util.Enumeration; import java.util.List; import java.util.Vector; import fr.orsay.lri.varna.models.rna.RNA; -import jalview.analysis.AlignSeq; -import jalview.util.StringUtils; - /** * * Implements the SequenceI interface for a char[] based sequence object. @@ -37,7 +43,7 @@ import jalview.util.StringUtils; * @author $author$ * @version $Revision$ */ -public class Sequence implements SequenceI +public class Sequence extends ASequence implements SequenceI { SequenceI datasetSequence; @@ -90,20 +96,30 @@ public class Sequence implements SequenceI */ 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(); + initSeqAndName(name, sequence.toCharArray(), start, end); } public Sequence(String name, char[] sequence, int start, int end) { - this.name = name; - this.sequence = sequence; - this.start = start; - this.end = end; + 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(); } @@ -172,12 +188,13 @@ public class Sequence implements SequenceI } /** - * Creates a new Sequence object with new features, DBRefEntries, - * AlignmentAnnotations, and PDBIds but inherits any existing dataset sequence - * reference. + * Creates a new Sequence object with new AlignmentAnnotations but inherits + * any existing dataset sequence reference. If non exists, everything is + * copied. * * @param seq - * DOCUMENT ME! + * if seq is a dataset sequence, behaves like a plain old copy + * constructor */ public Sequence(SequenceI seq) { @@ -196,25 +213,49 @@ public class Sequence implements SequenceI */ public Sequence(SequenceI seq, AlignmentAnnotation[] alAnnotation) { - this(seq.getName(), seq.getSequence(), seq.getStart(), seq.getEnd()); + 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(); + initSeqAndName(seq.getName(), Arrays.copyOf(oseq, oseq.length), + seq.getStart(), seq.getEnd()); + } description = seq.getDescription(); - if (seq.getSequenceFeatures() != null) + if (seq != datasetSequence) { - SequenceFeature[] sf = seq.getSequenceFeatures(); - for (int i = 0; i < sf.length; i++) - { - addSequenceFeature(new SequenceFeature(sf[i])); - } + setDatasetSequence(seq.getDatasetSequence()); } - setDatasetSequence(seq.getDatasetSequence()); - if (datasetSequence == null && seq.getDBRef() != null) + if (datasetSequence == null && seq.getDBRefs() != null) { - // only copy DBRefs if we really are a dataset sequence - DBRefEntry[] dbr = seq.getDBRef(); + // only copy DBRefs and seqfeatures if we really are a dataset sequence + DBRefEntry[] dbr = seq.getDBRefs(); for (int i = 0; i < dbr.length; i++) { addDBRef(new DBRefEntry(dbr[i])); } + if (seq.getSequenceFeatures() != null) + { + SequenceFeature[] sf = seq.getSequenceFeatures(); + for (int i = 0; i < sf.length; i++) + { + addSequenceFeature(new SequenceFeature(sf[i])); + } + } } if (seq.getAnnotation() != null) { @@ -241,30 +282,45 @@ public class Sequence implements SequenceI } } } - if (seq.getPDBId() != null) + if (seq.getAllPDBEntries() != null) { - Vector ids = seq.getPDBId(); - Enumeration e = ids.elements(); - while (e.hasMoreElements()) + Vector ids = seq.getAllPDBEntries(); + for (PDBEntry pdb : ids) { - this.addPDBId(new PDBEntry((PDBEntry) e.nextElement())); + this.addPDBId(new PDBEntry(pdb)); } } } - /** - * DOCUMENT ME! - * - * @param v - * DOCUMENT ME! - */ + @Override public void setSequenceFeatures(SequenceFeature[] features) { - sequenceFeatures = features; + if (datasetSequence == null) + { + sequenceFeatures = features; + } + else + { + if (datasetSequence.getSequenceFeatures() != features + && datasetSequence.getSequenceFeatures() != null + && datasetSequence.getSequenceFeatures().length > 0) + { + new Exception( + "Warning: JAL-2046 side effect ? Possible implementation error: overwriting dataset sequence features by setting sequence features on alignment") + .printStackTrace(); + } + datasetSequence.setSequenceFeatures(features); + } } + @Override public synchronized void addSequenceFeature(SequenceFeature sf) { + if (sequenceFeatures == null && datasetSequence != null) + { + datasetSequence.addSequenceFeature(sf); + return; + } if (sequenceFeatures == null) { sequenceFeatures = new SequenceFeature[0]; @@ -285,10 +341,15 @@ public class Sequence implements SequenceI sequenceFeatures = temp; } + @Override public void deleteFeature(SequenceFeature sf) { if (sequenceFeatures == null) { + if (datasetSequence != null) + { + datasetSequence.deleteFeature(sf); + } return; } @@ -334,6 +395,7 @@ public class Sequence implements SequenceI * * @return */ + @Override public SequenceFeature[] getSequenceFeatures() { SequenceFeature[] features = sequenceFeatures; @@ -349,28 +411,25 @@ public class Sequence implements SequenceI return features; } - public void addPDBId(PDBEntry entry) + @Override + public boolean addPDBId(PDBEntry entry) { if (pdbIds == null) { pdbIds = new Vector(); + pdbIds.add(entry); + return true; } - if (pdbIds.contains(entry)) - { - updatePDBEntry(pdbIds.get(pdbIds.indexOf(entry)), entry); - } - else - { - pdbIds.addElement(entry); - } - } - private static void updatePDBEntry(PDBEntry oldEntry, PDBEntry newEntry) - { - if (newEntry.getFile() != null) + for (PDBEntry pdbe : pdbIds) { - oldEntry.setFile(newEntry.getFile()); + if (pdbe.updateFrom(entry)) + { + return false; + } } + pdbIds.addElement(entry); + return true; } /** @@ -391,9 +450,9 @@ public class Sequence implements SequenceI * @return DOCUMENT ME! */ @Override - public Vector getPDBId() + public Vector getAllPDBEntries() { - return pdbIds; + return pdbIds == null ? new Vector() : pdbIds; } /** @@ -401,6 +460,7 @@ public class Sequence implements SequenceI * * @return DOCUMENT ME! */ + @Override public String getDisplayId(boolean jvsuffix) { StringBuffer result = new StringBuffer(name); @@ -418,6 +478,7 @@ public class Sequence implements SequenceI * @param name * DOCUMENT ME! */ + @Override public void setName(String name) { this.name = name; @@ -429,6 +490,7 @@ public class Sequence implements SequenceI * * @return DOCUMENT ME! */ + @Override public String getName() { return this.name; @@ -440,6 +502,7 @@ public class Sequence implements SequenceI * @param start * DOCUMENT ME! */ + @Override public void setStart(int start) { this.start = start; @@ -450,6 +513,7 @@ public class Sequence implements SequenceI * * @return DOCUMENT ME! */ + @Override public int getStart() { return this.start; @@ -461,6 +525,7 @@ public class Sequence implements SequenceI * @param end * DOCUMENT ME! */ + @Override public void setEnd(int end) { this.end = end; @@ -471,6 +536,7 @@ public class Sequence implements SequenceI * * @return DOCUMENT ME! */ + @Override public int getEnd() { return this.end; @@ -481,6 +547,7 @@ public class Sequence implements SequenceI * * @return DOCUMENT ME! */ + @Override public int getLength() { return this.sequence.length; @@ -492,22 +559,26 @@ public class Sequence implements SequenceI * @param seq * DOCUMENT ME! */ + @Override public void setSequence(String seq) { this.sequence = seq.toCharArray(); checkValidRange(); } + @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; @@ -518,6 +589,7 @@ public class Sequence implements SequenceI * * @see jalview.datamodel.SequenceI#getSequence(int, int) */ + @Override public char[] getSequence(int start, int end) { if (start < 0) @@ -571,16 +643,15 @@ public class Sequence implements SequenceI } /** - * DOCUMENT ME! + * 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 * - * @param i - * DOCUMENT ME! - * - * @return DOCUMENT ME! + * @return */ + @Override public char getCharAt(int i) { - if (i < sequence.length) + if (i >= 0 && i < sequence.length) { return sequence[i]; } @@ -596,6 +667,7 @@ public class Sequence implements SequenceI * @param desc * DOCUMENT ME! */ + @Override public void setDescription(String desc) { this.description = desc; @@ -606,6 +678,7 @@ public class Sequence implements SequenceI * * @return DOCUMENT ME! */ + @Override public String getDescription() { return this.description; @@ -616,6 +689,7 @@ public class Sequence implements SequenceI * * @see jalview.datamodel.SequenceI#findIndex(int) */ + @Override public int findIndex(int pos) { // returns the alignment position for a residue @@ -668,6 +742,7 @@ public class Sequence implements SequenceI * @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( @@ -729,8 +804,7 @@ public class Sequence implements SequenceI { if (lastj != -1) { - map.add(new int[] - { lastj, j - 1 }); + map.add(new int[] { lastj, j - 1 }); lastj = -1; } } @@ -738,8 +812,7 @@ public class Sequence implements SequenceI } if (lastj != -1) { - map.add(new int[] - { lastj, j - 1 }); + map.add(new int[] { lastj, j - 1 }); lastj = -1; } return map; @@ -749,7 +822,7 @@ public class Sequence implements SequenceI public void deleteChars(int i, int j) { int newstart = start, newend = end; - if (i >= sequence.length) + if (i >= sequence.length || i < 0) { return; } @@ -869,18 +942,28 @@ public class Sequence implements SequenceI } @Override - public void setDBRef(DBRefEntry[] dbref) + public void setDBRefs(DBRefEntry[] dbref) { + if (dbrefs == null && datasetSequence != null + && this != datasetSequence) + { + datasetSequence.setDBRefs(dbref); + return; + } dbrefs = dbref; + if (dbrefs != null) + { + DBRefUtils.ensurePrimaries(this); + } } @Override - public DBRefEntry[] getDBRef() + public DBRefEntry[] getDBRefs() { if (dbrefs == null && datasetSequence != null && this != datasetSequence) { - return datasetSequence.getDBRef(); + return datasetSequence.getDBRefs(); } return dbrefs; } @@ -888,39 +971,56 @@ public class Sequence implements SequenceI @Override public void addDBRef(DBRefEntry entry) { + if (datasetSequence != null) + { + datasetSequence.addDBRef(entry); + return; + } + if (dbrefs == null) { dbrefs = new DBRefEntry[0]; } - int i, iSize = dbrefs.length; - - for (i = 0; i < iSize; i++) + for (DBRefEntryI dbr : dbrefs) { - if (dbrefs[i].equalRef(entry)) + if (dbr.updateFrom(entry)) { - if (entry.getMap() != null) - { - if (dbrefs[i].getMap() == null) - { - // overwrite with 'superior' entry that contains a mapping. - dbrefs[i] = entry; - } - } + /* + * found a dbref that either matched, or could be + * updated from, the new entry - no need to add it + */ return; } } - DBRefEntry[] temp = new DBRefEntry[iSize + 1]; - System.arraycopy(dbrefs, 0, temp, 0, iSize); + /* + * extend the array to make room for one more + */ + // TODO use an ArrayList instead + int j = dbrefs.length; + DBRefEntry[] temp = new DBRefEntry[j + 1]; + System.arraycopy(dbrefs, 0, temp, 0, j); temp[temp.length - 1] = entry; dbrefs = temp; + + DBRefUtils.ensurePrimaries(this); } @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; } @@ -937,7 +1037,6 @@ public class Sequence implements SequenceI .toArray(new AlignmentAnnotation[annotation.size()]); } - @Override public boolean hasAnnotation(AlignmentAnnotation ann) { @@ -958,6 +1057,7 @@ public class Sequence implements SequenceI annotation.setSequenceRef(this); } + @Override public void removeAlignmentAnnotation(AlignmentAnnotation annotation) { if (this.annotation != null) @@ -993,56 +1093,80 @@ public class Sequence implements SequenceI @Override public SequenceI deriveSequence() { - SequenceI seq = new Sequence(this); - if (datasetSequence != null) - { - // duplicate current sequence with same dataset - seq.setDatasetSequence(datasetSequence); - } - else + 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 - 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. + createDatasetSequence(); } } - return seq; + return new Sequence(this); } + private boolean _isNa; + + private long _seqhash = 0; + + /** + * 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) { - datasetSequence = new Sequence(getName(), AlignSeq.extractGaps( + Sequence dsseq = 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 = dsseq; + + dsseq.setDescription(description); + // move features and database references onto dataset sequence + dsseq.sequenceFeatures = sequenceFeatures; + sequenceFeatures = 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); @@ -1063,6 +1187,7 @@ public class Sequence implements SequenceI * jalview.datamodel.SequenceI#setAlignmentAnnotation(AlignmmentAnnotation[] * annotations) */ + @Override public void setAlignmentAnnotation(AlignmentAnnotation[] annotations) { if (annotation != null) @@ -1126,46 +1251,22 @@ public class Sequence implements SequenceI { 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) + boolean added = false; + for (DBRefEntry dbr : dbrefs) { - Enumeration en = newpdb.elements(); - while (en.hasMoreElements()) + if (DBRefSource.PDB.equals(dbr.getSource())) { - addPDBId((PDBEntry) en.nextElement()); + /* + * '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 true; } - return false; + return added; } @Override @@ -1189,8 +1290,7 @@ public class Sequence implements SequenceI for (int si = 0; si < sfs.length; si++) { SequenceFeature sf[] = (mp != null) ? mp.locateFeature(sfs[si]) - : new SequenceFeature[] - { new SequenceFeature(sfs[si]) }; + : new SequenceFeature[] { new SequenceFeature(sfs[si]) }; if (sf != null && sf.length > 0) { for (int sfi = 0; sfi < sf.length; sfi++) @@ -1202,9 +1302,9 @@ public class Sequence implements SequenceI } // transfer PDB entries - if (entry.getPDBId() != null) + if (entry.getAllPDBEntries() != null) { - Enumeration e = entry.getPDBId().elements(); + Enumeration e = entry.getAllPDBEntries().elements(); while (e.hasMoreElements()) { PDBEntry pdb = (PDBEntry) e.nextElement(); @@ -1212,7 +1312,7 @@ public class Sequence implements SequenceI } } // transfer database references - DBRefEntry[] entryRefs = entry.getDBRef(); + DBRefEntry[] entryRefs = entry.getDBRefs(); if (entryRefs != null) { for (int r = 0; r < entryRefs.length; r++) @@ -1236,6 +1336,7 @@ public class Sequence implements SequenceI * @return The index (zero-based) on this sequence in the MSA. It returns * {@code -1} if this information is not available. */ + @Override public int getIndex() { return index; @@ -1249,16 +1350,19 @@ public class Sequence implements SequenceI * position for this sequence. This value is zero-based (zero for * this first sequence) */ + @Override public void setIndex(int value) { index = value; } + @Override public void setRNA(RNA r) { rna = r; } + @Override public RNA getRNA() { return rna; @@ -1283,4 +1387,92 @@ public class Sequence implements SequenceI 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; + } + + @Override + public List getPrimaryDBRefs() + { + if (datasetSequence != null) + { + return datasetSequence.getPrimaryDBRefs(); + } + if (dbrefs == null || dbrefs.length == 0) + { + return Collections.emptyList(); + } + synchronized (dbrefs) + { + List primaries = new ArrayList(); + DBRefEntry[] tmp = new DBRefEntry[1]; + for (DBRefEntry ref : dbrefs) + { + 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 (DBRefUtils.getCanonicalName(DBRefSource.PDB).equals( + DBRefUtils.getCanonicalName(ref.getSource()))) + { + // 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) + { + primaries.add(ref); + } + continue; + } + // check standard protein or dna sources + tmp[0] = ref; + DBRefEntry[] res = DBRefUtils.selectDbRefs(!isProtein(), tmp); + if (res != null && res[0] == tmp[0]) + { + primaries.add(ref); + continue; + } + } + return primaries; + } + } + }