X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fstructure%2FStructureSelectionManager.java;h=1c46ca8db3f2680e0c415fca68ba40022b60136f;hb=c6e8e8ccd10f21698226ae37196cd9680e6804a0;hp=7b103be62fc568b09a7b620afceeec6d7da9ab18;hpb=ce6f02a53c98e51cb96533d40db5f94d1bfea00a;p=jalview.git diff --git a/src/jalview/structure/StructureSelectionManager.java b/src/jalview/structure/StructureSelectionManager.java index 7b103be..1c46ca8 100644 --- a/src/jalview/structure/StructureSelectionManager.java +++ b/src/jalview/structure/StructureSelectionManager.java @@ -31,10 +31,11 @@ import jalview.datamodel.AlignmentI; import jalview.datamodel.Annotation; import jalview.datamodel.PDBEntry; import jalview.datamodel.SearchResults; +import jalview.datamodel.SearchResultsI; import jalview.datamodel.SequenceI; import jalview.ext.jmol.JmolParser; import jalview.gui.IProgressIndicator; -import jalview.io.AppletFormatAdapter; +import jalview.io.DataSourceType; import jalview.io.StructureFile; import jalview.util.MappingUtils; import jalview.util.MessageManager; @@ -322,12 +323,11 @@ public class StructureSelectionManager * @return null or the structure data parsed as a pdb file */ synchronized public StructureFile setMapping(SequenceI[] sequence, - String[] targetChains, String pdbFile, String protocol) + String[] targetChains, String pdbFile, DataSourceType protocol) { return setMapping(true, sequence, targetChains, pdbFile, protocol); } - /** * create sequence structure mappings between each sequence and the given * pdbFile (retrieved via the given protocol). @@ -342,14 +342,13 @@ public class StructureSelectionManager * (may be nill, individual elements may be nill) * @param pdbFile * - structure data resource - * @param protocol + * @param sourceType * - how to resolve data from resource * @return null or the structure data parsed as a pdb file */ synchronized public StructureFile setMapping(boolean forStructureView, SequenceI[] sequenceArray, String[] targetChainIds, - String pdbFile, - String protocol) + String pdbFile, DataSourceType sourceType) { /* * There will be better ways of doing this in the future, for now we'll use @@ -385,13 +384,16 @@ public class StructureSelectionManager boolean isMapUsingSIFTs = SiftsSettings.isMapWithSifts(); try { - pdb = new JmolParser(pdbFile, protocol); + pdb = new JmolParser(pdbFile, sourceType); if (pdb.getId() != null && pdb.getId().trim().length() > 0 - && AppletFormatAdapter.FILE.equals(protocol)) + && DataSourceType.FILE == sourceType) { registerPDBFile(pdb.getId().trim(), pdbFile); } + // if PDBId is unavailable then skip SIFTS mapping execution path + isMapUsingSIFTs = isMapUsingSIFTs && pdb.isPPDBIdAvailable(); + } catch (Exception ex) { ex.printStackTrace(); @@ -452,7 +454,7 @@ public class StructureSelectionManager * Attempt pairwise alignment of the sequence with each chain in the PDB, * and remember the highest scoring chain */ - int max = -10; + float max = -10; AlignSeq maxAlignseq = null; String maxChainId = " "; PDBChain maxChain = null; @@ -489,12 +491,12 @@ public class StructureSelectionManager continue; } - if (protocol.equals(jalview.io.AppletFormatAdapter.PASTE)) + if (sourceType == DataSourceType.PASTE) { pdbFile = "INLINE" + pdb.getId(); } - ArrayList seqToStrucMapping = new ArrayList(); + List seqToStrucMapping = new ArrayList(); if (isMapUsingSIFTs && seq.isProtein()) { setProgressBar(null); @@ -532,14 +534,13 @@ public class StructureSelectionManager } else { - ArrayList foundSiftsMappings = new ArrayList(); + List foundSiftsMappings = new ArrayList(); for (PDBChain chain : pdb.getChains()) { try { StructureMapping siftsMapping = getStructureMapping(seq, - pdbFile, - chain.id, pdb, chain, sqmpping, maxAlignseq); + pdbFile, chain.id, pdb, chain, sqmpping, maxAlignseq); foundSiftsMappings.add(siftsMapping); } catch (SiftsException e) { @@ -614,24 +615,23 @@ public class StructureSelectionManager PDBChain maxChain, jalview.datamodel.Mapping sqmpping, AlignSeq maxAlignseq) throws SiftsException { - StructureMapping curChainMapping = siftsClient - .getSiftsStructureMapping(seq, pdbFile, targetChainId); - try - { + StructureMapping curChainMapping = siftsClient + .getSiftsStructureMapping(seq, pdbFile, targetChainId); + try + { PDBChain chain = pdb.findChain(targetChainId); if (chain != null) { chain.transferResidueAnnotation(curChainMapping, sqmpping); } - } catch (Exception e) - { - e.printStackTrace(); - } - return curChainMapping; + } catch (Exception e) + { + e.printStackTrace(); + } + return curChainMapping; } - private StructureMapping getNWMappings(SequenceI seq, - String pdbFile, + private StructureMapping getNWMappings(SequenceI seq, String pdbFile, String maxChainId, PDBChain maxChain, StructureFile pdb, AlignSeq maxAlignseq) { @@ -806,7 +806,7 @@ public class StructureSelectionManager return; } - SearchResults results = new SearchResults(); + SearchResultsI results = new SearchResults(); for (AtomSpec atom : atoms) { SequenceI lastseq = null; @@ -856,7 +856,7 @@ public class StructureSelectionManager { boolean hasSequenceListeners = handlingVamsasMo || !seqmappings.isEmpty(); - SearchResults results = null; + SearchResultsI results = null; if (seqPos == -1) { seqPos = seq.findPosition(indexpos);