X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fio%2FStructureFile.java;h=fc0e207c7c302648c9e29d2f318532ba73c9d205;hb=fd21ffd2dbeeeaa269b3fc111566db984e1b672c;hp=9efaaacb1caf1662690bf5913f3fded8d99ebdbb;hpb=c4ac1df8d2ee8e02ad8f571e250aa0f3e1d8dbed;p=jalview.git diff --git a/src/jalview/io/StructureFile.java b/src/jalview/io/StructureFile.java index 9efaaac..fc0e207 100644 --- a/src/jalview/io/StructureFile.java +++ b/src/jalview/io/StructureFile.java @@ -8,8 +8,9 @@ import jalview.datamodel.AlignmentI; import jalview.datamodel.DBRefEntry; import jalview.datamodel.DBRefSource; import jalview.datamodel.PDBEntry; +import jalview.datamodel.PDBEntry.Type; import jalview.datamodel.SequenceI; -import jalview.structure.StructureViewSettings; +import jalview.structure.StructureImportSettings; import java.awt.Color; import java.io.IOException; @@ -25,7 +26,8 @@ public abstract class StructureFile extends AlignFile private String id; - private String dbRefType; + private PDBEntry.Type dbRefType; + /** * set to true to add derived sequence annotations (temp factor read from * file, or computed secondary structure) to the alignment @@ -66,19 +68,19 @@ public abstract class StructureFile extends AlignFile public void xferSettings() { - this.visibleChainAnnotation = StructureViewSettings + this.visibleChainAnnotation = StructureImportSettings .isVisibleChainAnnotation(); - this.predictSecondaryStructure = StructureViewSettings - .isPredictSecondaryStructure(); - this.externalSecondaryStructure = StructureViewSettings + this.predictSecondaryStructure = StructureImportSettings + .isProcessSecondaryStructure(); + this.externalSecondaryStructure = StructureImportSettings .isExternalSecondaryStructure(); } - public StructureFile(boolean parseImmediately, String inFile, String type) + public StructureFile(boolean parseImmediately, String dataObject, String type) throws IOException { - super(parseImmediately, inFile, type); + super(parseImmediately, dataObject, type); } public StructureFile(boolean a, FileParse fp) throws IOException @@ -115,16 +117,11 @@ public abstract class StructureFile extends AlignFile DBRefEntry sourceDBRef = new DBRefEntry(); sourceDBRef.setAccessionId(getId()); sourceDBRef.setSource(DBRefSource.PDB); - sourceDBRef.setStartRes(pdbSequence.getStart()); - sourceDBRef.setEndRes(pdbSequence.getEnd()); - - SequenceI chainseq = pdbSequence.deriveSequence(); - chainseq.setSourceDBRef(sourceDBRef); - chainseq.addPDBId(entry); - chainseq.addDBRef(sourceDBRef); - + pdbSequence.setSourceDBRef(sourceDBRef); + pdbSequence.addPDBId(entry); + pdbSequence.addDBRef(sourceDBRef); + SequenceI chainseq = pdbSequence; seqs.addElement(chainseq); - AlignmentAnnotation[] chainannot = chainseq.getAnnotation(); if (chainannot != null && visibleChainAnnotation) @@ -185,8 +182,7 @@ public abstract class StructureFile extends AlignFile @SuppressWarnings("unchecked") protected void replaceAndUpdateChains(List prot, - AlignmentI al, - String pep, boolean b) + AlignmentI al, String pep, boolean b) { List> replaced = AlignSeq .replaceMatchingSeqsWith(seqs, annotations, prot, al, pep, @@ -259,8 +255,7 @@ public abstract class StructureFile extends AlignFile } @SuppressWarnings({ "unchecked", "rawtypes" }) - private void processWithJmolParser(List prot) - throws Exception + private void processWithJmolParser(List prot) throws Exception { try { @@ -268,19 +263,17 @@ public abstract class StructureFile extends AlignFile Class cl = Class.forName("jalview.ext.jmol.JmolParser"); if (cl != null) { - final Constructor constructor = cl -.getConstructor(new Class[] { + final Constructor constructor = cl.getConstructor(new Class[] { boolean.class, boolean.class, boolean.class, FileParse.class }); final Object[] args = new Object[] { visibleChainAnnotation, predictSecondaryStructure, externalSecondaryStructure, - new FileParse(getDataName(), - type) }; - - StructureViewSettings.setShowSeqFeatures(true); - StructureViewSettings.setVisibleChainAnnotation(false); - StructureViewSettings - .setPredictSecondaryStructure(predictSecondaryStructure); - StructureViewSettings + new FileParse(getDataName(), type) }; + + StructureImportSettings.setShowSeqFeatures(false); + StructureImportSettings.setVisibleChainAnnotation(false); + StructureImportSettings + .setProcessSecondaryStructure(predictSecondaryStructure); + StructureImportSettings .setExternalSecondaryStructure(externalSecondaryStructure); Object jmf = constructor.newInstance(args); AlignmentI al = new Alignment((SequenceI[]) cl.getMethod( @@ -303,13 +296,14 @@ public abstract class StructureFile extends AlignFile } catch (ClassNotFoundException q) { } + StructureImportSettings.setShowSeqFeatures(true); } public PDBChain findChain(String id) throws Exception { for (PDBChain chain : getChains()) { - if (chain.id.equalsIgnoreCase(id)) + if (chain.id.equals(id)) { return chain; } @@ -406,13 +400,18 @@ public abstract class StructureFile extends AlignFile this.chains = chains; } - public String getDbRefType() + public Type getDbRefType() { return dbRefType; } public void setDbRefType(String dbRefType) { + this.dbRefType = Type.valueOf(dbRefType); + } + + public void setDbRefType(Type dbRefType) + { this.dbRefType = dbRefType; }