X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fstructure%2FStructureSelectionManager.java;h=2f1ddc07533637b08921013383d27f639ec12612;hb=cd669a0e8c7b91b379bca8fe6e702cf0fcbd1ce0;hp=64c1547904427d0fea146dcf47eb1b0440eb964d;hpb=33b66c03f2b63cc80b6d7e697c02530209041990;p=jalview.git diff --git a/src/jalview/structure/StructureSelectionManager.java b/src/jalview/structure/StructureSelectionManager.java index 64c1547..2f1ddc0 100644 --- a/src/jalview/structure/StructureSelectionManager.java +++ b/src/jalview/structure/StructureSelectionManager.java @@ -155,16 +155,16 @@ public class StructureSelectionManager { if (mappings.isEmpty()) { - System.err.println("reportMapping: No PDB/Sequence mappings."); + jalview.bin.Console.errPrintln("reportMapping: No PDB/Sequence mappings."); } else { - System.err.println( + jalview.bin.Console.errPrintln( "reportMapping: There are " + mappings.size() + " mappings."); int i = 0; for (StructureMapping sm : mappings) { - System.err.println("mapping " + i++ + " : " + sm.pdbfile); + jalview.bin.Console.errPrintln("mapping " + i++ + " : " + sm.pdbfile); } } } @@ -357,6 +357,31 @@ public class StructureSelectionManager pdbFile, sourceType, tft, paeFilename, true); } + + /** + * create sequence structure mappings between each sequence and the given + * pdbFile (retrieved via the given protocol). Either constructs a mapping + * using NW alignment or derives one from any available SIFTS mapping data. + * + * @param forStructureView + * when true, record the mapping for use in mouseOvers + * + * @param sequenceArray + * - one or more sequences to be mapped to pdbFile + * @param targetChainIds + * - optional chain specification for mapping each sequence to pdb + * (may be nill, individual elements may be nill) - JBPNote: JAL-2693 + * - this should be List>, empty lists indicate no + * predefined mappings + * @param pdbFile + * - structure data resource + * @param sourceType + * - how to resolve data from resource + * @param tft - specify how to interpret the temperature factor column in the atom data + * @param paeFilename - when not null, specifies a filename containing a matrix formatted in JSON using one of the known PAE formats + * @param doXferSettings - when true, transfer annotation to mapped sequences in sequenceArray + * @return null or the structure data parsed as a pdb file + */ synchronized public StructureFile setMapping(boolean forStructureView, SequenceI[] sequenceArray, String[] targetChainIds, String pdbFile, DataSourceType sourceType, TFType tft, @@ -617,12 +642,12 @@ public class StructureSelectionManager chain.transferResidueAnnotation(siftsMapping, null); } catch (SiftsException e) { - System.err.println(e.getMessage()); + jalview.bin.Console.errPrintln(e.getMessage()); } catch (Exception e) { - System.err.println( + jalview.bin.Console.errPrintln( "Unexpected exception during SIFTS mapping - falling back to NW for this sequence/structure pair"); - System.err.println(e.getMessage()); + jalview.bin.Console.errPrintln(e.getMessage()); } } if (!foundSiftsMappings.isEmpty()) @@ -1025,7 +1050,7 @@ public class StructureSelectionManager int indexpos = sm.getSeqPos(atom.getPdbResNum()); if (lastipos != indexpos || lastseq != sm.sequence) { - results.addResult(sm.sequence, indexpos, indexpos); + results.appendResult(sm.sequence, indexpos, indexpos); lastipos = indexpos; lastseq = sm.sequence; // construct highlighted sequence list @@ -1254,7 +1279,7 @@ public class StructureSelectionManager * * if (mappings[j].sequence == seq && mappings[j].getPdbId().equals(pdbid) * && mappings[j].pdbfile.equals(sl.getPdbFile())) { - * System.out.println(pdbid+" "+mappings[j].getPdbId() +" + * jalview.bin.Console.outPrintln(pdbid+" "+mappings[j].getPdbId() +" * "+mappings[j].pdbfile); * * java.awt.Color col; for(int index=0; index