X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fext%2Fjmol%2FJmolParser.java;h=180da8f449f8044e4f522fb5f758a5dc1b4fd277;hb=2681593fa6810815547b688b89424c837cac1240;hp=65b4b9627c1b09a30ed2af0149b15460db0f6fc3;hpb=ab889432b2f2ebea75aca36e814efc42ab50b9ac;p=jalview.git diff --git a/src/jalview/ext/jmol/JmolParser.java b/src/jalview/ext/jmol/JmolParser.java index 65b4b96..180da8f 100644 --- a/src/jalview/ext/jmol/JmolParser.java +++ b/src/jalview/ext/jmol/JmolParser.java @@ -38,8 +38,6 @@ import java.util.List; import java.util.Map; import java.util.Vector; -import javajs.awt.Dimension; - import org.jmol.api.JmolStatusListener; import org.jmol.api.JmolViewer; import org.jmol.c.CBK; @@ -61,8 +59,7 @@ public class JmolParser extends StructureFile implements JmolStatusListener { Viewer viewer = null; - public JmolParser(String inFile, String type) - throws IOException + public JmolParser(String inFile, String type) throws IOException { super(inFile, type); } @@ -125,12 +122,11 @@ public class JmolParser extends StructureFile implements JmolStatusListener try { /* - * params -o (output to sysout) -i (no info logging, less verbose) - * -n (nodisplay) -x (exit when finished) + * params -o (output to sysout) -n (nodisplay) -x (exit when finished) * see http://wiki.jmol.org/index.php/Jmol_Application */ viewer = (Viewer) JmolViewer.allocateViewer(null, null, null, null, - null, "-x -o -n -i", this); + null, "-x -o -n", this); // ensure the 'new' (DSSP) not 'old' (Ramachandran) SS method is used viewer.setBooleanProperty("defaultStructureDSSP", true); } catch (ClassCastException x) @@ -152,7 +148,17 @@ public class JmolParser extends StructureFile implements JmolStatusListener List prot = new ArrayList(); PDBChain tmpchain; String pdbId = (String) ms.getInfo(0, "title"); - setId(pdbId); + + if (pdbId == null) + { + setId(safeName(getDataName())); + setPDBIdAvailable(false); + } + else + { + setId(pdbId); + setPDBIdAvailable(true); + } List significantAtoms = convertSignificantAtoms(ms); for (Atom tmpatom : significantAtoms) { @@ -167,7 +173,7 @@ public class JmolParser extends StructureFile implements JmolStatusListener tmpchain.atoms.addElement(tmpatom); } catch (Exception e) { - tmpchain = new PDBChain(pdbId, tmpatom.chain); + tmpchain = new PDBChain(getId(), tmpatom.chain); getChains().add(tmpchain); tmpchain.atoms.addElement(tmpatom); } @@ -178,10 +184,6 @@ public class JmolParser extends StructureFile implements JmolStatusListener makeResidueList(); makeCaBondList(); - if (getId() == null) - { - setId(safeName(getDataName())); - } for (PDBChain chain : getChains()) { SequenceI chainseq = postProcessChain(chain); @@ -356,9 +358,9 @@ public class JmolParser extends StructureFile implements JmolStatusListener { try { - asecstr[p] = new Annotation(String.valueOf(secstr[p]), null, - secstrcode[p], Float.NaN); - ssFound = true; + asecstr[p] = new Annotation(String.valueOf(secstr[p]), null, + secstrcode[p], Float.NaN); + ssFound = true; } catch (Exception e) { // e.printStackTrace(); @@ -622,7 +624,7 @@ public class JmolParser extends StructureFile implements JmolStatusListener * Not implemented - returns null */ @Override - public Dimension resizeInnerPanel(String data) + public int[] resizeInnerPanel(String data) { return null; }