X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fanalysis%2FAlignmentUtils.java;h=0c40873154035f5cbb2b1a6d264709add75810df;hb=6200addf078b7f7ace90597dc056dafc7fc602c1;hp=2946ba2416922a157fdcebf25164c07f9b77c24a;hpb=4b1c969e87feaefd4fb9c49ba3d6b828b3ce1a9c;p=jalview.git diff --git a/src/jalview/analysis/AlignmentUtils.java b/src/jalview/analysis/AlignmentUtils.java index 2946ba2..0c40873 100644 --- a/src/jalview/analysis/AlignmentUtils.java +++ b/src/jalview/analysis/AlignmentUtils.java @@ -20,8 +20,7 @@ */ package jalview.analysis; -import static jalview.io.gff.GffConstants.CLINICAL_SIGNIFICANCE; - +import jalview.commands.RemoveGapColCommand; import jalview.datamodel.AlignedCodon; import jalview.datamodel.AlignedCodonFrame; import jalview.datamodel.AlignedCodonFrame.SequenceToSequenceMapping; @@ -37,7 +36,6 @@ import jalview.datamodel.SequenceFeature; import jalview.datamodel.SequenceGroup; import jalview.datamodel.SequenceI; import jalview.datamodel.features.SequenceFeatures; -import jalview.io.gff.Gff3Helper; import jalview.io.gff.SequenceOntologyI; import jalview.schemes.ResidueProperties; import jalview.util.Comparison; @@ -45,10 +43,7 @@ import jalview.util.DBRefUtils; import jalview.util.IntRangeComparator; import jalview.util.MapList; import jalview.util.MappingUtils; -import jalview.util.StringUtils; -import java.io.UnsupportedEncodingException; -import java.net.URLEncoder; import java.util.ArrayList; import java.util.Arrays; import java.util.Collection; @@ -1607,7 +1602,7 @@ public class AlignmentUtils { for (int ix = 0, nx = xrefs.size(); ix < nx; ix++) { - DBRefEntry xref = xrefs.get(ix); + DBRefEntry xref = xrefs.get(ix); String xrefName = xref.getSource() + "|" + xref.getAccessionId(); // case-insensitive test, consistent with DBRefEntry.equalRef() if (xrefName.equalsIgnoreCase(name)) @@ -1737,31 +1732,36 @@ public class AlignmentUtils 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); - } - /* - * add a mapping from CDS to the (unchanged) mapped to range + * build the mapping from CDS to protein */ - List cdsRange = Collections.singletonList(new int[] { 1, - cdsSeq.getLength() }); + List cdsRange = Collections + .singletonList(new int[] + { cdsSeq.getStart(), + cdsSeq.getLength() + cdsSeq.getStart() - 1 }); MapList cdsToProteinMap = new MapList(cdsRange, mapList.getToRanges(), mapList.getFromRatio(), mapList.getToRatio()); - AlignedCodonFrame cdsToProteinMapping = new AlignedCodonFrame(); - cdsToProteinMapping.addMap(cdsSeqDss, proteinProduct, - cdsToProteinMap); - /* - * guard against duplicating the mapping if repeating this action - */ - if (!mappings.contains(cdsToProteinMapping)) + if (!dataset.getSequences().contains(cdsSeqDss)) { - mappings.add(cdsToProteinMapping); + /* + * if this sequence is a newly created one, add it to the dataset + * and made a CDS to protein mapping (if sequence already exists, + * CDS-to-protein mapping _is_ the transcript-to-protein mapping) + */ + dataset.addSequence(cdsSeqDss); + AlignedCodonFrame cdsToProteinMapping = new AlignedCodonFrame(); + cdsToProteinMapping.addMap(cdsSeqDss, proteinProduct, + cdsToProteinMap); + + /* + * guard against duplicating the mapping if repeating this action + */ + if (!mappings.contains(cdsToProteinMapping)) + { + mappings.add(cdsToProteinMapping); + } } propagateDBRefsToCDS(cdsSeqDss, dnaSeq.getDatasetSequence(), @@ -1871,7 +1871,7 @@ public class AlignmentUtils return; } - MapList newMap = targetToFrom.traverse(fromLoci.getMap()); + MapList newMap = targetToFrom.traverse(fromLoci.getMapping()); if (newMap != null) { @@ -1985,39 +1985,61 @@ public class AlignmentUtils static SequenceI makeCdsSequence(SequenceI seq, Mapping mapping, AlignmentI dataset) { - char[] seqChars = seq.getSequence(); - List fromRanges = mapping.getMap().getFromRanges(); - int cdsWidth = MappingUtils.getLength(fromRanges); - char[] newSeqChars = new char[cdsWidth]; + /* + * construct CDS sequence name as "CDS|" with 'from id' held in the mapping + * if set (e.g. EMBL protein_id), else sequence name appended + */ + String mapFromId = mapping.getMappedFromId(); + final String seqId = "CDS|" + + (mapFromId != null ? mapFromId : seq.getName()); + + SequenceI newSeq = null; - int newPos = 0; - for (int[] range : fromRanges) + final MapList maplist = mapping.getMap(); + if (maplist.isContiguous() && maplist.isFromForwardStrand()) { - if (range[0] <= range[1]) - { - // forward strand mapping - just copy the range - int length = range[1] - range[0] + 1; - System.arraycopy(seqChars, range[0] - 1, newSeqChars, newPos, - length); - newPos += length; - } - else + /* + * just a subsequence, keep same dataset sequence + */ + int start = maplist.getFromLowest(); + int end = maplist.getFromHighest(); + newSeq = seq.getSubSequence(start - 1, end); + newSeq.setName(seqId); + } + else + { + /* + * construct by splicing mapped from ranges + */ + char[] seqChars = seq.getSequence(); + List fromRanges = maplist.getFromRanges(); + int cdsWidth = MappingUtils.getLength(fromRanges); + char[] newSeqChars = new char[cdsWidth]; + + int newPos = 0; + for (int[] range : fromRanges) { - // reverse strand mapping - copy and complement one by one - for (int i = range[0]; i >= range[1]; i--) + if (range[0] <= range[1]) { - newSeqChars[newPos++] = Dna.getComplement(seqChars[i - 1]); + // forward strand mapping - just copy the range + int length = range[1] - range[0] + 1; + System.arraycopy(seqChars, range[0] - 1, newSeqChars, newPos, + length); + newPos += length; + } + else + { + // reverse strand mapping - copy and complement one by one + for (int i = range[0]; i >= range[1]; i--) + { + newSeqChars[newPos++] = Dna.getComplement(seqChars[i - 1]); + } } } + + newSeq = new Sequence(seqId, newSeqChars, 1, newPos); } - /* - * assign 'from id' held in the mapping if set (e.g. EMBL protein_id), - * else generate a sequence name - */ - 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()); @@ -2080,8 +2102,8 @@ public class AlignmentUtils { for (int ib = 0, nb = refs.size(); ib < nb; ib++) { - DBRefEntry dbr = refs.get(ib); - MapList map; + DBRefEntry dbr = refs.get(ib); + MapList map; if (dbr.hasMap() && (map = dbr.getMap().getMap()).isTripletMap()) { // check if map is the CDS mapping @@ -2101,14 +2123,14 @@ public class AlignmentUtils // and generate appropriate mappings for (int ic = 0, nc = direct.size(); ic < nc; ic++) { - DBRefEntry cdsref = direct.get(ic); - Mapping m = cdsref.getMap(); + DBRefEntry cdsref = direct.get(ic); + Mapping m = cdsref.getMap(); // clone maplist and mapping MapList cdsposmap = new MapList( Arrays.asList(new int[][] { new int[] { cdsSeq.getStart(), cdsSeq.getEnd() } }), m.getMap().getToRanges(), 3, 1); - Mapping cdsmap = new Mapping(m.getTo(),m.getMap()); + Mapping cdsmap = new Mapping(m.getTo(), m.getMap()); // create dbref DBRefEntry newref = new DBRefEntry(cdsref.getSource(), @@ -2163,6 +2185,10 @@ public class AlignmentUtils { copyTo = copyTo.getDatasetSequence(); } + if (fromSeq == copyTo || fromSeq.getDatasetSequence() == copyTo) + { + return 0; // shared dataset sequence + } /* * get features, optionally restricted by an ontology term @@ -2334,7 +2360,7 @@ public class AlignmentUtils } } catch (NumberFormatException e) { - // SwingJS -- need to avoid these. + // leave as zero } /* * phase > 0 on first codon means 5' incomplete - skip to the start @@ -2368,393 +2394,6 @@ public class AlignmentUtils } /** - * Maps exon features from dna to protein, and computes variants in peptide - * product generated by variants in dna, and adds them as sequence_variant - * features on the protein sequence. Returns the number of variant features - * added. - * - * @param dnaSeq - * @param peptide - * @param dnaToProtein - */ - public static int computeProteinFeatures(SequenceI dnaSeq, - SequenceI peptide, MapList dnaToProtein) - { - while (dnaSeq.getDatasetSequence() != null) - { - dnaSeq = dnaSeq.getDatasetSequence(); - } - while (peptide.getDatasetSequence() != null) - { - peptide = peptide.getDatasetSequence(); - } - - transferFeatures(dnaSeq, peptide, dnaToProtein, SequenceOntologyI.EXON); - - /* - * compute protein variants from dna variants and codon mappings; - * NB - alternatively we could retrieve this using the REST service e.g. - * http://rest.ensembl.org/overlap/translation - * /ENSP00000288602?feature=transcript_variation;content-type=text/xml - * which would be a bit slower but possibly more reliable - */ - - /* - * build a map with codon variations for each potentially varying peptide - */ - LinkedHashMap[]> variants = buildDnaVariantsMap( - dnaSeq, dnaToProtein); - - /* - * scan codon variations, compute peptide variants and add to peptide sequence - */ - int count = 0; - for (Entry[]> variant : variants.entrySet()) - { - int peptidePos = variant.getKey(); - List[] codonVariants = variant.getValue(); - count += computePeptideVariants(peptide, peptidePos, codonVariants); - } - - return count; - } - - /** - * Computes non-synonymous peptide variants from codon variants and adds them - * as sequence_variant features on the protein sequence (one feature per - * allele variant). Selected attributes (variant id, clinical significance) - * are copied over to the new features. - * - * @param peptide - * the protein sequence - * @param peptidePos - * the position to compute peptide variants for - * @param codonVariants - * a list of dna variants per codon position - * @return the number of features added - */ - static int computePeptideVariants(SequenceI peptide, int peptidePos, - List[] codonVariants) - { - String residue = String.valueOf(peptide.getCharAt(peptidePos - 1)); - int count = 0; - String base1 = codonVariants[0].get(0).base; - String base2 = codonVariants[1].get(0).base; - String base3 = codonVariants[2].get(0).base; - - /* - * variants in first codon base - */ - for (DnaVariant dnavar : codonVariants[0]) - { - if (dnavar.variant != null) - { - String alleles = (String) dnavar.variant.getValue(Gff3Helper.ALLELES); - if (alleles != null) - { - for (String base : alleles.split(",")) - { - if (!base1.equalsIgnoreCase(base)) - { - String codon = base.toUpperCase() + base2.toLowerCase() - + base3.toLowerCase(); - String canonical = base1.toUpperCase() + base2.toLowerCase() - + base3.toLowerCase(); - if (addPeptideVariant(peptide, peptidePos, residue, dnavar, - codon, canonical)) - { - count++; - } - } - } - } - } - } - - /* - * variants in second codon base - */ - for (DnaVariant var : codonVariants[1]) - { - if (var.variant != null) - { - String alleles = (String) var.variant.getValue(Gff3Helper.ALLELES); - if (alleles != null) - { - for (String base : alleles.split(",")) - { - if (!base2.equalsIgnoreCase(base)) - { - String codon = base1.toLowerCase() + base.toUpperCase() - + base3.toLowerCase(); - String canonical = base1.toLowerCase() + base2.toUpperCase() - + base3.toLowerCase(); - if (addPeptideVariant(peptide, peptidePos, residue, var, - codon, canonical)) - { - count++; - } - } - } - } - } - } - - /* - * variants in third codon base - */ - for (DnaVariant var : codonVariants[2]) - { - if (var.variant != null) - { - String alleles = (String) var.variant.getValue(Gff3Helper.ALLELES); - if (alleles != null) - { - for (String base : alleles.split(",")) - { - if (!base3.equalsIgnoreCase(base)) - { - String codon = base1.toLowerCase() + base2.toLowerCase() - + base.toUpperCase(); - String canonical = base1.toLowerCase() + base2.toLowerCase() - + base3.toUpperCase(); - if (addPeptideVariant(peptide, peptidePos, residue, var, - codon, canonical)) - { - count++; - } - } - } - } - } - } - - return count; - } - - /** - * Helper method that adds a peptide variant feature. ID and - * clinical_significance attributes of the dna variant (if present) are copied - * to the new feature. - * - * @param peptide - * @param peptidePos - * @param residue - * @param var - * @param codon - * the variant codon e.g. aCg - * @param canonical - * the 'normal' codon e.g. aTg - * @return true if a feature was added, else false - */ - static boolean addPeptideVariant(SequenceI peptide, int peptidePos, - String residue, DnaVariant var, String codon, String canonical) - { - /* - * get peptide translation of codon e.g. GAT -> D - * note that variants which are not single alleles, - * e.g. multibase variants or HGMD_MUTATION etc - * are currently ignored here - */ - String trans = codon.contains("-") ? null - : (codon.length() > CODON_LENGTH ? null - : ResidueProperties.codonTranslate(codon)); - if (trans == null) - { - return false; - } - String desc = canonical + "/" + codon; - String featureType = ""; - if (trans.equals(residue)) - { - featureType = SequenceOntologyI.SYNONYMOUS_VARIANT; - } - else if (ResidueProperties.STOP.equals(trans)) - { - featureType = SequenceOntologyI.STOP_GAINED; - } - else - { - String residue3Char = StringUtils - .toSentenceCase(ResidueProperties.aa2Triplet.get(residue)); - String trans3Char = StringUtils - .toSentenceCase(ResidueProperties.aa2Triplet.get(trans)); - desc = "p." + residue3Char + peptidePos + trans3Char; - featureType = SequenceOntologyI.NONSYNONYMOUS_VARIANT; - } - SequenceFeature sf = new SequenceFeature(featureType, desc, peptidePos, - peptidePos, var.getSource()); - - StringBuilder attributes = new StringBuilder(32); - String id = (String) var.variant.getValue(VARIANT_ID); - if (id != null) - { - if (id.startsWith(SEQUENCE_VARIANT)) - { - id = id.substring(SEQUENCE_VARIANT.length()); - } - sf.setValue(VARIANT_ID, id); - attributes.append(VARIANT_ID).append("=").append(id); - // TODO handle other species variants JAL-2064 - StringBuilder link = new StringBuilder(32); - try - { - 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()); - } catch (UnsupportedEncodingException e) - { - // as if - } - } - String clinSig = (String) var.variant.getValue(CLINICAL_SIGNIFICANCE); - if (clinSig != null) - { - sf.setValue(CLINICAL_SIGNIFICANCE, clinSig); - attributes.append(";").append(CLINICAL_SIGNIFICANCE).append("=") - .append(clinSig); - } - peptide.addSequenceFeature(sf); - if (attributes.length() > 0) - { - sf.setAttributes(attributes.toString()); - } - return true; - } - - /** - * Builds a map whose key is position in the protein sequence, and value is a - * list of the base and all variants for each corresponding codon position. - *

- * This depends on dna variants being held as a comma-separated list as - * property "alleles" on variant features. - * - * @param dnaSeq - * @param dnaToProtein - * @return - */ - @SuppressWarnings("unchecked") - static LinkedHashMap[]> buildDnaVariantsMap( - SequenceI dnaSeq, MapList dnaToProtein) - { - /* - * map from peptide position to all variants of the codon which codes for it - * LinkedHashMap ensures we keep the peptide features in sequence order - */ - LinkedHashMap[]> variants = new LinkedHashMap<>(); - - List dnaFeatures = dnaSeq.getFeatures() - .getFeaturesByOntology(SequenceOntologyI.SEQUENCE_VARIANT); - if (dnaFeatures.isEmpty()) - { - return variants; - } - - int dnaStart = dnaSeq.getStart(); - int[] lastCodon = null; - int lastPeptidePostion = 0; - - /* - * build a map of codon variations for peptides - */ - for (SequenceFeature sf : dnaFeatures) - { - int dnaCol = sf.getBegin(); - if (dnaCol != sf.getEnd()) - { - // not handling multi-locus variant features - continue; - } - - /* - * ignore variant if not a SNP - */ - String alls = (String) sf.getValue(Gff3Helper.ALLELES); - if (alls == null) - { - continue; // non-SNP VCF variant perhaps - can't process this - } - - String[] alleles = alls.toUpperCase().split(","); - boolean isSnp = true; - for (String allele : alleles) - { - if (allele.trim().length() > 1) - { - isSnp = false; - } - } - if (!isSnp) - { - continue; - } - - int[] mapsTo = dnaToProtein.locateInTo(dnaCol, dnaCol); - if (mapsTo == null) - { - // feature doesn't lie within coding region - continue; - } - int peptidePosition = mapsTo[0]; - List[] codonVariants = variants.get(peptidePosition); - if (codonVariants == null) - { - codonVariants = new ArrayList[CODON_LENGTH]; - codonVariants[0] = new ArrayList<>(); - codonVariants[1] = new ArrayList<>(); - codonVariants[2] = new ArrayList<>(); - variants.put(peptidePosition, codonVariants); - } - - /* - * get this peptide's codon positions e.g. [3, 4, 5] or [4, 7, 10] - */ - int[] codon = peptidePosition == lastPeptidePostion ? lastCodon - : MappingUtils.flattenRanges(dnaToProtein.locateInFrom( - peptidePosition, peptidePosition)); - lastPeptidePostion = peptidePosition; - lastCodon = codon; - - /* - * save nucleotide (and any variant) for each codon position - */ - for (int codonPos = 0; codonPos < CODON_LENGTH; codonPos++) - { - String nucleotide = String.valueOf( - dnaSeq.getCharAt(codon[codonPos] - dnaStart)).toUpperCase(); - List codonVariant = codonVariants[codonPos]; - if (codon[codonPos] == dnaCol) - { - if (!codonVariant.isEmpty() - && codonVariant.get(0).variant == null) - { - /* - * already recorded base value, add this variant - */ - codonVariant.get(0).variant = sf; - } - else - { - /* - * add variant with base value - */ - codonVariant.add(new DnaVariant(nucleotide, sf)); - } - } - else if (codonVariant.isEmpty()) - { - /* - * record (possibly non-varying) base value - */ - codonVariant.add(new DnaVariant(nucleotide)); - } - } - } - return variants; - } - - /** * Makes an alignment with a copy of the given sequences, adding in any * non-redundant sequences which are mapped to by the cross-referenced * sequences. @@ -2774,7 +2413,7 @@ public class AlignmentUtils SequenceIdMatcher matcher = new SequenceIdMatcher(seqs); if (xrefs != null) { - // BH 2019.01.25 streamlined this triply nested loop to remove all iterators + // BH 2019.01.25 recoded to remove iterators for (int ix = 0, nx = xrefs.length; ix < nx; ix++) { @@ -2784,9 +2423,9 @@ public class AlignmentUtils { for (int ir = 0, nir = dbrefs.size(); ir < nir; ir++) { - DBRefEntry dbref = dbrefs.get(ir); - Mapping map = dbref.getMap(); - SequenceI mto; + DBRefEntry dbref = dbrefs.get(ir); + Mapping map = dbref.getMap(); + SequenceI mto; if (map == null || (mto = map.getTo()) == null || mto.isProtein() != isProtein) { @@ -2893,10 +2532,10 @@ public class AlignmentUtils * true; else returns false * * @param unaligned - * - sequences to be aligned based on aligned + * - sequences to be aligned based on aligned * @param aligned - * - 'guide' alignment containing sequences derived from same dataset - * as unaligned + * - 'guide' alignment containing sequences derived from same + * dataset as unaligned * @return */ static boolean alignAsSameSequences(AlignmentI unaligned, @@ -2920,15 +2559,22 @@ public class AlignmentUtils } /* - * first pass - check whether all sequences to be aligned share a dataset - * sequence with an aligned sequence + * first pass - check whether all sequences to be aligned share a + * dataset sequence with an aligned sequence; also note the leftmost + * ungapped column from which to copy */ + int leftmost = Integer.MAX_VALUE; for (SequenceI seq : unaligned.getSequences()) { - if (!alignedDatasets.containsKey(seq.getDatasetSequence())) + final SequenceI ds = seq.getDatasetSequence(); + if (!alignedDatasets.containsKey(ds)) { return false; } + SequenceI alignedSeq = alignedDatasets.get(ds) + .get(0); + int startCol = alignedSeq.findIndex(seq.getStart()); // 1.. + leftmost = Math.min(leftmost, startCol); } /* @@ -2936,13 +2582,32 @@ public class AlignmentUtils * heuristic rule: pair off sequences in order for the case where * more than one shares the same dataset sequence */ + final char gapCharacter = aligned.getGapCharacter(); for (SequenceI seq : unaligned.getSequences()) { List alignedSequences = alignedDatasets .get(seq.getDatasetSequence()); - // TODO: getSequenceAsString() will be deprecated in the future - // TODO: need to leave to SequenceI implementor to update gaps - seq.setSequence(alignedSequences.get(0).getSequenceAsString()); + if (alignedSequences.isEmpty()) + { + /* + * defensive check - shouldn't happen! (JAL-3536) + */ + continue; + } + SequenceI alignedSeq = alignedSequences.get(0); + + /* + * gap fill for leading (5') UTR if any + */ + // TODO this copies intron columns - wrong! + int startCol = alignedSeq.findIndex(seq.getStart()); // 1.. + int endCol = alignedSeq.findIndex(seq.getEnd()); + char[] seqchars = new char[endCol - leftmost + 1]; + Arrays.fill(seqchars, gapCharacter); + char[] toCopy = alignedSeq.getSequence(startCol - 1, endCol); + System.arraycopy(toCopy, 0, seqchars, startCol - leftmost, + toCopy.length); + seq.setSequence(String.valueOf(seqchars)); if (alignedSequences.size() > 0) { // pop off aligned sequences (except the last one) @@ -2950,6 +2615,12 @@ public class AlignmentUtils } } + /* + * finally remove gapped columns (e.g. introns) + */ + new RemoveGapColCommand("", unaligned.getSequencesArray(), 0, + unaligned.getWidth() - 1, unaligned); + return true; }