X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fanalysis%2FAlignmentUtils.java;h=ea96b3b29efeca02a5e236062ffc93a10e9daad7;hb=4724cafdcdcc4f3acc77c09261afe56f518a1e87;hp=b57fbbfaa9d371c9de5987c00d925a44029a2baa;hpb=23eee41c81cbe59155bdb71f82cf92c7c58e578b;p=jalview.git diff --git a/src/jalview/analysis/AlignmentUtils.java b/src/jalview/analysis/AlignmentUtils.java index b57fbbf..ea96b3b 100644 --- a/src/jalview/analysis/AlignmentUtils.java +++ b/src/jalview/analysis/AlignmentUtils.java @@ -22,7 +22,6 @@ package jalview.analysis; import static jalview.io.gff.GffConstants.CLINICAL_SIGNIFICANCE; -import jalview.api.DBRefEntryI; import jalview.datamodel.AlignedCodon; import jalview.datamodel.AlignedCodonFrame; import jalview.datamodel.AlignedCodonFrame.SequenceToSequenceMapping; @@ -61,6 +60,7 @@ import java.util.Map; import java.util.Map.Entry; import java.util.NoSuchElementException; import java.util.Set; +import java.util.SortedMap; import java.util.TreeMap; /** @@ -73,22 +73,26 @@ import java.util.TreeMap; public class AlignmentUtils { + private static final int CODON_LENGTH = 3; + private static final String SEQUENCE_VARIANT = "sequence_variant:"; + private static final String ID = "ID"; /** * A data model to hold the 'normal' base value at a position, and an optional * sequence variant feature */ - static class DnaVariant + static final class DnaVariant { - String base; + final String base; SequenceFeature variant; DnaVariant(String nuc) { base = nuc; + variant = null; } DnaVariant(String nuc, SequenceFeature var) @@ -96,6 +100,11 @@ public class AlignmentUtils base = nuc; variant = var; } + + public String getSource() + { + return variant == null ? null : variant.getFeatureGroup(); + } } /** @@ -428,7 +437,7 @@ public class AlignmentUtils /* * cdnaStart/End, proteinStartEnd are base 1 (for dataset sequence mapping) */ - final int mappedLength = 3 * aaSeqChars.length; + final int mappedLength = CODON_LENGTH * aaSeqChars.length; int cdnaLength = cdnaSeqChars.length; int cdnaStart = cdnaSeq.getStart(); int cdnaEnd = cdnaSeq.getEnd(); @@ -440,14 +449,14 @@ public class AlignmentUtils */ if (cdnaLength != mappedLength && cdnaLength > 2) { - String lastCodon = String.valueOf(cdnaSeqChars, cdnaLength - 3, 3) - .toUpperCase(); + String lastCodon = String.valueOf(cdnaSeqChars, + cdnaLength - CODON_LENGTH, CODON_LENGTH).toUpperCase(); for (String stop : ResidueProperties.STOP) { if (lastCodon.equals(stop)) { - cdnaEnd -= 3; - cdnaLength -= 3; + cdnaEnd -= CODON_LENGTH; + cdnaLength -= CODON_LENGTH; break; } } @@ -459,12 +468,12 @@ public class AlignmentUtils int startOffset = 0; if (cdnaLength != mappedLength && cdnaLength > 2 - && String.valueOf(cdnaSeqChars, 0, 3).toUpperCase() + && String.valueOf(cdnaSeqChars, 0, CODON_LENGTH).toUpperCase() .equals(ResidueProperties.START)) { - startOffset += 3; - cdnaStart += 3; - cdnaLength -= 3; + startOffset += CODON_LENGTH; + cdnaStart += CODON_LENGTH; + cdnaLength -= CODON_LENGTH; } if (translatesAs(cdnaSeqChars, startOffset, aaSeqChars)) @@ -473,7 +482,7 @@ public class AlignmentUtils * protein is translation of dna (+/- start/stop codons) */ MapList map = new MapList(new int[] { cdnaStart, cdnaEnd }, new int[] - { proteinStart, proteinEnd }, 3, 1); + { proteinStart, proteinEnd }, CODON_LENGTH, 1); return map; } @@ -503,10 +512,9 @@ public class AlignmentUtils int aaPos = 0; int dnaPos = cdnaStart; - for (; dnaPos < cdnaSeqChars.length - 2 - && aaPos < aaSeqChars.length; dnaPos += 3, aaPos++) + for (; dnaPos < cdnaSeqChars.length - 2 && aaPos < aaSeqChars.length; dnaPos += CODON_LENGTH, aaPos++) { - String codon = String.valueOf(cdnaSeqChars, dnaPos, 3); + String codon = String.valueOf(cdnaSeqChars, dnaPos, CODON_LENGTH); final String translated = ResidueProperties.codonTranslate(codon); /* @@ -542,9 +550,9 @@ public class AlignmentUtils { return true; } - if (dnaPos == cdnaSeqChars.length - 3) + if (dnaPos == cdnaSeqChars.length - CODON_LENGTH) { - String codon = String.valueOf(cdnaSeqChars, dnaPos, 3); + String codon = String.valueOf(cdnaSeqChars, dnaPos, CODON_LENGTH); if ("STOP".equals(ResidueProperties.codonTranslate(codon))) { return true; @@ -895,7 +903,8 @@ public class AlignmentUtils } width = Math.max(dnaSeq.getLength(), width); } - int oldwidth, diff; + int oldwidth; + int diff; for (SequenceI dnaSeq : dna.getSequences()) { oldwidth = dnaSeq.getLength(); @@ -929,15 +938,15 @@ public class AlignmentUtils .println("alignCdsSequenceAsProtein needs aligned sequence!"); return false; } - + List dnaMappings = MappingUtils .findMappingsForSequence(cdsSeq, mappings); for (AlignedCodonFrame mapping : dnaMappings) { SequenceI peptide = mapping.findAlignedSequence(cdsSeq, protein); - int peptideLength = peptide.getLength(); if (peptide != null) { + int peptideLength = peptide.getLength(); Mapping map = mapping.getMappingBetween(cdsSeq, peptide); if (map != null) { @@ -951,7 +960,8 @@ public class AlignmentUtils .getFromRanges()); int mappedToLength = MappingUtils .getLength(mapList.getToRanges()); - boolean addStopCodon = (cdsLength == mappedFromLength * 3 + 3) + boolean addStopCodon = (cdsLength == mappedFromLength + * CODON_LENGTH + CODON_LENGTH) || (peptide.getDatasetSequence().getLength() == mappedFromLength - 1); if (cdsLength != mappedToLength && !addStopCodon) { @@ -965,8 +975,8 @@ public class AlignmentUtils /* * pre-fill the aligned cds sequence with gaps */ - char[] alignedCds = new char[peptideLength * 3 - + (addStopCodon ? 3 : 0)]; + char[] alignedCds = new char[peptideLength * CODON_LENGTH + + (addStopCodon ? CODON_LENGTH : 0)]; Arrays.fill(alignedCds, gapChar); /* @@ -983,7 +993,7 @@ public class AlignmentUtils { if (Comparison.isGap(residue)) { - cdsCol += 3; + cdsCol += CODON_LENGTH; } else { @@ -992,7 +1002,7 @@ public class AlignmentUtils if (codon == null) { // e.g. incomplete start codon, X in peptide - cdsCol += 3; + cdsCol += CODON_LENGTH; } else { @@ -1010,7 +1020,7 @@ public class AlignmentUtils * append stop codon if not mapped from protein, * closing it up to the end of the mapped sequence */ - if (copiedBases == nucleotides.length - 3) + if (copiedBases == nucleotides.length - CODON_LENGTH) { for (int i = alignedCds.length - 1; i >= 0; i--) { @@ -1020,7 +1030,7 @@ public class AlignmentUtils break; } } - for (int i = nucleotides.length - 3; i < nucleotides.length; i++) + for (int i = nucleotides.length - CODON_LENGTH; i < nucleotides.length; i++) { alignedCds[cdsCol++] = nucleotides[i]; } @@ -1090,7 +1100,7 @@ public class AlignmentUtils // TODO resolve JAL-2022 so this fudge can be removed int mappedSequenceCount = protein.getHeight() - unmappedProtein.size(); addUnmappedPeptideStarts(alignedCodons, mappedSequenceCount); - + return alignedCodons; } @@ -1681,11 +1691,20 @@ public class AlignmentUtils * didn't find mapped CDS sequence - construct it and add * its dataset sequence to the dataset */ - cdsSeq = makeCdsSequence(dnaSeq.getDatasetSequence(), aMapping); - SequenceI cdsSeqDss = cdsSeq.createDatasetSequence(); + cdsSeq = makeCdsSequence(dnaSeq.getDatasetSequence(), aMapping, + dataset).deriveSequence(); + // cdsSeq has a name constructed as CDS| + // will be either the accession for the coding sequence, + // marked in the /via/ dbref to the protein product accession + // or it will be the original nucleotide accession. + SequenceI cdsSeqDss = cdsSeq.getDatasetSequence(); + cdsSeqs.add(cdsSeq); + if (!dataset.getSequences().contains(cdsSeqDss)) { + // check if this sequence is a newly created one + // so needs adding to the dataset dataset.addSequence(cdsSeqDss); } @@ -1694,8 +1713,9 @@ public class AlignmentUtils */ List cdsRange = Collections.singletonList(new int[] { 1, cdsSeq.getLength() }); - MapList cdsToProteinMap = new MapList(cdsRange, mapList.getToRanges(), - mapList.getFromRatio(), mapList.getToRatio()); + MapList cdsToProteinMap = new MapList(cdsRange, + mapList.getToRanges(), mapList.getFromRatio(), + mapList.getToRatio()); AlignedCodonFrame cdsToProteinMapping = new AlignedCodonFrame(); cdsToProteinMapping.addMap(cdsSeqDss, proteinProduct, cdsToProteinMap); @@ -1708,13 +1728,14 @@ public class AlignmentUtils mappings.add(cdsToProteinMapping); } + propagateDBRefsToCDS(cdsSeqDss, dnaSeq.getDatasetSequence(), + proteinProduct, aMapping); /* * add another mapping from original 'from' range to CDS */ AlignedCodonFrame dnaToCdsMapping = new AlignedCodonFrame(); MapList dnaToCdsMap = new MapList(mapList.getFromRanges(), - cdsRange, 1, - 1); + cdsRange, 1, 1); dnaToCdsMapping.addMap(dnaSeq.getDatasetSequence(), cdsSeqDss, dnaToCdsMap); if (!mappings.contains(dnaToCdsMapping)) @@ -1729,12 +1750,37 @@ public class AlignmentUtils * same source and accession, so need a different accession for * the CDS from the dna sequence */ - DBRefEntryI dnaRef = dnaDss.getSourceDBRef(); - if (dnaRef != null) + + // specific use case: + // Genomic contig ENSCHR:1, contains coding regions for ENSG01, + // ENSG02, ENSG03, with transcripts and products similarly named. + // cannot add distinct dbrefs mapping location on ENSCHR:1 to ENSG01 + + // JBPNote: ?? can't actually create an example that demonstrates we + // need to + // synthesize an xref. + + for (DBRefEntry primRef : dnaDss.getPrimaryDBRefs()) { + // creates a complementary cross-reference to the source sequence's + // primary reference. + + DBRefEntry cdsCrossRef = new DBRefEntry(primRef.getSource(), + primRef.getSource() + ":" + primRef.getVersion(), + primRef.getAccessionId()); + cdsCrossRef + .setMap(new Mapping(dnaDss, new MapList(dnaToCdsMap))); + cdsSeqDss.addDBRef(cdsCrossRef); + + // problem here is that the cross-reference is synthesized - + // cdsSeq.getName() may be like 'CDS|dnaaccession' or + // 'CDS|emblcdsacc' // assuming cds version same as dna ?!? - DBRefEntry proteinToCdsRef = new DBRefEntry(dnaRef.getSource(), - dnaRef.getVersion(), cdsSeq.getName()); + + DBRefEntry proteinToCdsRef = new DBRefEntry( + primRef.getSource(), primRef.getVersion(), + cdsSeq.getName()); + // proteinToCdsRef.setMap(new Mapping(cdsSeqDss, cdsToProteinMap .getInverse())); proteinProduct.addDBRef(proteinToCdsRef); @@ -1743,7 +1789,7 @@ public class AlignmentUtils /* * transfer any features on dna that overlap the CDS */ - transferFeatures(dnaSeq, cdsSeq, cdsToProteinMap, null, + transferFeatures(dnaSeq, cdsSeq, dnaToCdsMap, null, SequenceOntologyI.CDS); } } @@ -1790,7 +1836,8 @@ public class AlignmentUtils int mappedFromLength = MappingUtils.getLength(aMapping.getMap() .getFromRanges()); int dnaLength = seqDss.getLength(); - if (mappedFromLength == dnaLength || mappedFromLength == dnaLength - 3) + if (mappedFromLength == dnaLength + || mappedFromLength == dnaLength - CODON_LENGTH) { return seqDss; } @@ -1806,7 +1853,8 @@ public class AlignmentUtils for (SequenceToSequenceMapping map : acf.getMappings()) { Mapping mapping = map.getMapping(); - if (mapping != aMapping && mapping.getMap().getFromRatio() == 3 + if (mapping != aMapping + && mapping.getMap().getFromRatio() == CODON_LENGTH && proteinProduct == mapping.getTo() && seqDss != map.getFromSeq()) { @@ -1840,9 +1888,14 @@ public class AlignmentUtils * * @param seq * @param mapping + * @param dataset + * - existing dataset. We check for sequences that look like the CDS + * we are about to construct, if one exists already, then we will + * just return that one. * @return CDS sequence (as a dataset sequence) */ - static SequenceI makeCdsSequence(SequenceI seq, Mapping mapping) + static SequenceI makeCdsSequence(SequenceI seq, Mapping mapping, + AlignmentI dataset) { char[] seqChars = seq.getSequence(); List fromRanges = mapping.getMap().getFromRanges(); @@ -1869,7 +1922,7 @@ public class AlignmentUtils } } } - + /* * assign 'from id' held in the mapping if set (e.g. EMBL protein_id), * else generate a sequence name @@ -1877,10 +1930,42 @@ public class AlignmentUtils String mapFromId = mapping.getMappedFromId(); String seqId = "CDS|" + (mapFromId != null ? mapFromId : seq.getName()); SequenceI newSeq = new Sequence(seqId, newSeqChars, 1, newPos); + if (dataset != null) + { + SequenceI[] matches = dataset.findSequenceMatch(newSeq.getName()); + if (matches != null) + { + boolean matched = false; + for (SequenceI mtch : matches) + { + if (mtch.getStart() != newSeq.getStart()) + { + continue; + } + if (mtch.getEnd() != newSeq.getEnd()) + { + continue; + } + if (!Arrays.equals(mtch.getSequence(), newSeq.getSequence())) + { + continue; + } + if (!matched) + { + matched = true; + newSeq = mtch; + } + else + { + System.err + .println("JAL-2154 regression: warning - found (and ignnored a duplicate CDS sequence):" + + mtch.toString()); + } + } + } + } // newSeq.setDescription(mapFromId); - propagateDBRefsToCDS(newSeq, seq, mapping); - return newSeq; } @@ -1894,11 +1979,12 @@ public class AlignmentUtils * @return list of DBRefEntrys added. */ public static List propagateDBRefsToCDS(SequenceI cdsSeq, - SequenceI contig, Mapping mapping) + SequenceI contig, SequenceI proteinProduct, Mapping mapping) { // gather direct refs from contig congrent with mapping List direct = new ArrayList(); + HashSet directSources = new HashSet(); if (contig.getDBRefs() != null) { for (DBRefEntry dbr : contig.getDBRefs()) @@ -1910,24 +1996,51 @@ public class AlignmentUtils if (mapping.getMap().equals(map)) { direct.add(dbr); + directSources.add(dbr.getSource()); } } } } - + DBRefEntry[] onSource = DBRefUtils.selectRefs( + proteinProduct.getDBRefs(), + directSources.toArray(new String[0])); List propagated = new ArrayList(); // and generate appropriate mappings for (DBRefEntry cdsref : direct) { - Mapping cdsmap = cdsref.getMap(); + // clone maplist and mapping MapList cdsposmap = new MapList(Arrays.asList(new int[][] { new int[] - { cdsSeq.getStart(), cdsSeq.getEnd() } }), cdsmap.getMap() + { cdsSeq.getStart(), cdsSeq.getEnd() } }), cdsref.getMap().getMap() .getToRanges(), 3, 1); + Mapping cdsmap = new Mapping(cdsref.getMap().getTo(), cdsref.getMap() + .getMap()); + // create dbref DBRefEntry newref = new DBRefEntry(cdsref.getSource(), cdsref.getVersion(), cdsref.getAccessionId(), new Mapping( cdsmap.getTo(), cdsposmap)); + + // and see if we can map to the protein product for this mapping. + // onSource is the filtered set of accessions on protein that we are + // tranferring, so we assume accession is the same. + if (cdsmap.getTo() == null && onSource != null) + { + List sourceRefs = DBRefUtils.searchRefs(onSource, + cdsref.getAccessionId()); + if (sourceRefs != null) + { + for (DBRefEntry srcref : sourceRefs) + { + if (srcref.getSource().equalsIgnoreCase(cdsref.getSource())) + { + // we have found a complementary dbref on the protein product, so + // update mapping's getTo + newref.getMap().setTo(proteinProduct); + } + } + } + } cdsSeq.addDBRef(newref); propagated.add(newref); } @@ -2063,7 +2176,7 @@ public class AlignmentUtils /* * dna length should map to protein (or protein plus stop codon) */ - int codesForResidues = mappedDnaLength / 3; + int codesForResidues = mappedDnaLength / CODON_LENGTH; if (codesForResidues == (proteinLength + 1)) { // assuming extra codon is for STOP and not in peptide @@ -2072,7 +2185,7 @@ public class AlignmentUtils if (codesForResidues == proteinLength) { proteinRange.add(new int[] { proteinStart, proteinEnd }); - return new MapList(ranges, proteinRange, 3, 1); + return new MapList(ranges, proteinRange, CODON_LENGTH, 1); } return null; } @@ -2348,7 +2461,7 @@ public class AlignmentUtils * are currently ignored here */ String trans = codon.contains("-") ? "-" - : (codon.length() > 3 ? null : ResidueProperties + : (codon.length() > CODON_LENGTH ? null : ResidueProperties .codonTranslate(codon)); if (trans != null && !trans.equals(residue)) { @@ -2360,7 +2473,7 @@ public class AlignmentUtils // set score to 0f so 'graduated colour' option is offered! JAL-2060 SequenceFeature sf = new SequenceFeature( SequenceOntologyI.SEQUENCE_VARIANT, desc, peptidePos, - peptidePos, 0f, "Jalview"); + peptidePos, 0f, var.getSource()); StringBuilder attributes = new StringBuilder(32); String id = (String) var.variant.getValue(ID); if (id != null) @@ -2371,11 +2484,13 @@ public class AlignmentUtils } sf.setValue(ID, id); attributes.append(ID).append("=").append(id); - // TODO handle other species variants + // TODO handle other species variants JAL-2064 StringBuilder link = new StringBuilder(32); try { - link.append(desc).append(" ").append(id) + link.append(desc) + .append(" ") + .append(id) .append("|http://www.ensembl.org/Homo_sapiens/Variation/Summary?v=") .append(URLEncoder.encode(id, "UTF-8")); sf.addLink(link.toString()); @@ -2384,8 +2499,7 @@ public class AlignmentUtils // as if } } - String clinSig = (String) var.variant - .getValue(CLINICAL_SIGNIFICANCE); + String clinSig = (String) var.variant.getValue(CLINICAL_SIGNIFICANCE); if (clinSig != null) { sf.setValue(CLINICAL_SIGNIFICANCE, clinSig); @@ -2410,6 +2524,7 @@ public class AlignmentUtils * @param dnaToProtein * @return */ + @SuppressWarnings("unchecked") static LinkedHashMap[]> buildDnaVariantsMap( SequenceI dnaSeq, MapList dnaToProtein) { @@ -2453,7 +2568,7 @@ public class AlignmentUtils List[] codonVariants = variants.get(peptidePosition); if (codonVariants == null) { - codonVariants = new ArrayList[3]; + codonVariants = new ArrayList[CODON_LENGTH]; codonVariants[0] = new ArrayList(); codonVariants[1] = new ArrayList(); codonVariants[2] = new ArrayList(); @@ -2487,7 +2602,7 @@ public class AlignmentUtils /* * save nucleotide (and any variant) for each codon position */ - for (int codonPos = 0; codonPos < 3; codonPos++) + for (int codonPos = 0; codonPos < CODON_LENGTH; codonPos++) { String nucleotide = String.valueOf( dnaSeq.getCharAt(codon[codonPos] - dnaStart)) @@ -2540,7 +2655,7 @@ public class AlignmentUtils { AlignmentI copy = new Alignment(new Alignment(seqs)); copy.setDataset(dataset); - + boolean isProtein = !copy.isNucleotide(); SequenceIdMatcher matcher = new SequenceIdMatcher(seqs); if (xrefs != null) { @@ -2551,7 +2666,8 @@ public class AlignmentUtils { for (DBRefEntry dbref : dbrefs) { - if (dbref.getMap() == null || dbref.getMap().getTo() == null) + if (dbref.getMap() == null || dbref.getMap().getTo() == null + || dbref.getMap().getTo().isProtein() != isProtein) { continue; } @@ -2632,7 +2748,7 @@ public class AlignmentUtils } newCol++; } - + /* * trim trailing gaps */ @@ -2725,7 +2841,7 @@ public class AlignmentUtils * @param unmapped * @return */ - static Map> buildMappedColumnsMap( + static SortedMap> buildMappedColumnsMap( AlignmentI unaligned, AlignmentI aligned, List unmapped) { /* @@ -2733,7 +2849,7 @@ public class AlignmentUtils * {unalignedSequence, characterPerSequence} at that position. * TreeMap keeps the entries in ascending column order. */ - Map> map = new TreeMap>(); + SortedMap> map = new TreeMap>(); /* * record any sequences that have no mapping so can't be realigned