X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fext%2Fjmol%2FJmolParser.java;h=c64dac1fd2cb75249fbc98958227beb1c50ad296;hb=beb2fee66dde629e3bbb7febb38d0116e1a64df2;hp=a276fb6ea5efadb551daac4798e054744e3078b9;hpb=a0ac724dba7d556966b546d4a0093449c397be84;p=jalview.git diff --git a/src/jalview/ext/jmol/JmolParser.java b/src/jalview/ext/jmol/JmolParser.java index a276fb6..c64dac1 100644 --- a/src/jalview/ext/jmol/JmolParser.java +++ b/src/jalview/ext/jmol/JmolParser.java @@ -88,6 +88,10 @@ public class JmolParser extends StructureFile implements JmolStatusListener super(inFile, sourceType, tempfacType); } + public JmolParser(FileParse fp, boolean doXferSettings) throws IOException + { + super(fp, doXferSettings); + } public JmolParser(FileParse fp) throws IOException { super(fp); @@ -108,6 +112,12 @@ public class JmolParser extends StructureFile implements JmolStatusListener @Override public void parse() throws IOException { + parse(true); + } + + @Override + public void parse(boolean doXferSettings) throws IOException + { setChains(new Vector()); Viewer jmolModel = getJmolData(); jmolModel.openReader(getDataName(), getDataName(), getReader()); @@ -132,7 +142,7 @@ public class JmolParser extends StructureFile implements JmolStatusListener ? PDBEntry.Type.MMCIF.toString() : "PDB"); - transformJmolModelToJalview(jmolModel.ms); + transformJmolModelToJalview(jmolModel.ms, doXferSettings); } } @@ -202,7 +212,8 @@ public class JmolParser extends StructureFile implements JmolStatusListener return false; } - public void transformJmolModelToJalview(ModelSet ms) throws IOException + public void transformJmolModelToJalview(ModelSet ms, + boolean localDoXferSettings) throws IOException { try { @@ -260,7 +271,7 @@ public class JmolParser extends StructureFile implements JmolStatusListener } lastID = tmpatom.resNumIns.trim(); } - if (isParseImmediately()) + if (isParseImmediately() && localDoXferSettings) { // configure parsing settings from the static singleton xferSettings(); @@ -292,7 +303,7 @@ public class JmolParser extends StructureFile implements JmolStatusListener { try { - Console.info("retrieving pAE for " + pdbId); + Console.info("Retrieving PAE for " + pdbId); File paeFile = EBIAlfaFold.fetchAlphaFoldPAE(pdbId, null); this.setPAEMatrix(paeFile.getAbsolutePath()); } catch (Throwable t) @@ -303,16 +314,26 @@ public class JmolParser extends StructureFile implements JmolStatusListener // add a PAEMatrix if set (either by above or otherwise) if (hasPAEMatrix()) { - Alignment al = new Alignment(prot.toArray(new SequenceI[0])); - EBIAlfaFold.addAlphaFoldPAE(al, new File(this.getPAEMatrix()), 0, - null, false, false, null); - - if (al.getAlignmentAnnotation() != null) + try { - for (AlignmentAnnotation alann : al.getAlignmentAnnotation()) + Alignment al = new Alignment(prot.toArray(new SequenceI[0])); + EBIAlfaFold.addAlphaFoldPAE(al, new File(this.getPAEMatrix()), 0, + null, false, false, null); + + if (al.getAlignmentAnnotation() != null) { - annotations.add(alann); + for (AlignmentAnnotation alann : al.getAlignmentAnnotation()) + { + annotations.add(alann); + } } + } catch (Throwable ff) + { + Console.error("Couldn't import PAE Matrix from " + getPAEMatrix(), + ff); + warningMessage += "Couldn't import PAE Matrix" + + getNewlineString() + ff.getLocalizedMessage() + + getNewlineString(); } } } catch (OutOfMemoryError er)