X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fext%2Fjmol%2FJmolParser.java;h=f08e40ed7f8c964be64ad32ff0d969342636c7f5;hb=7e82c1426d70a5072fa6fc0eb869e22a11775cd7;hp=cef552fba4707474d5ad532b9b8cb86ab7637baa;hpb=ce6f02a53c98e51cb96533d40db5f94d1bfea00a;p=jalview.git diff --git a/src/jalview/ext/jmol/JmolParser.java b/src/jalview/ext/jmol/JmolParser.java index cef552f..f08e40e 100644 --- a/src/jalview/ext/jmol/JmolParser.java +++ b/src/jalview/ext/jmol/JmolParser.java @@ -24,6 +24,7 @@ import jalview.datamodel.AlignmentAnnotation; import jalview.datamodel.Annotation; import jalview.datamodel.PDBEntry; import jalview.datamodel.SequenceI; +import jalview.io.DataSourceType; import jalview.io.FileParse; import jalview.io.StructureFile; import jalview.schemes.ResidueProperties; @@ -38,8 +39,6 @@ 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; @@ -61,10 +60,10 @@ public class JmolParser extends StructureFile implements JmolStatusListener { Viewer viewer = null; - public JmolParser(String inFile, String type) + public JmolParser(String inFile, DataSourceType sourceType) throws IOException { - super(inFile, type); + super(inFile, sourceType); } public JmolParser(FileParse fp) throws IOException @@ -124,6 +123,10 @@ public class JmolParser extends StructureFile implements JmolStatusListener { try { + /* + * 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", this); // ensure the 'new' (DSSP) not 'old' (Ramachandran) SS method is used @@ -147,7 +150,17 @@ 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) { @@ -162,7 +175,7 @@ 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); } @@ -173,10 +186,6 @@ public class JmolParser extends StructureFile implements JmolStatusListener makeResidueList(); makeCaBondList(); - if (getId() == null) - { - setId(safeName(getDataName())); - } for (PDBChain chain : getChains()) { SequenceI chainseq = postProcessChain(chain); @@ -351,9 +360,9 @@ 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(); @@ -463,7 +472,7 @@ public class JmolParser extends StructureFile implements JmolStatusListener * Not implemented - returns null */ @Override - public String print() + public String print(SequenceI[] seqs, boolean jvSuffix) { return null; } @@ -617,7 +626,7 @@ public class JmolParser extends StructureFile implements JmolStatusListener * Not implemented - returns null */ @Override - public Dimension resizeInnerPanel(String data) + public int[] resizeInnerPanel(String data) { return null; }