X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fstructure%2FStructureSelectionManager.java;h=7a1b1008d34592e7352a4ee011098d0d588f9103;hb=76139ef711627a3176736af47272ff55be62e720;hp=e59812032281df1fa58a5e7d5bcd692bbfa4212e;hpb=59d682209891099d46b960509907c79e3fb276fe;p=jalview.git
diff --git a/src/jalview/structure/StructureSelectionManager.java b/src/jalview/structure/StructureSelectionManager.java
index e598120..7a1b100 100644
--- a/src/jalview/structure/StructureSelectionManager.java
+++ b/src/jalview/structure/StructureSelectionManager.java
@@ -1,30 +1,44 @@
/*
- * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8)
- * Copyright (C) 2012 J Procter, AM Waterhouse, LM Lui, J Engelhardt, G Barton, M Clamp, S Searle
+ * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2)
+ * Copyright (C) 2014 The Jalview Authors
*
* This file is part of Jalview.
*
* Jalview is free software: you can redistribute it and/or
* modify it under the terms of the GNU General Public License
- * as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
+ * as published by the Free Software Foundation, either version 3
+ * of the License, or (at your option) any later version.
*
* Jalview is distributed in the hope that it will be useful, but
* WITHOUT ANY WARRANTY; without even the implied warranty
* of MERCHANTABILITY or FITNESS FOR A PARTICULAR
* PURPOSE. See the GNU General Public License for more details.
*
- * You should have received a copy of the GNU General Public License along with Jalview. If not, see .
+ * You should have received a copy of the GNU General Public License
+ * along with Jalview. If not, see .
+ * The Jalview Authors are detailed in the 'AUTHORS' file.
*/
package jalview.structure;
-import java.io.*;
-import java.util.*;
-
-import MCview.*;
-import jalview.analysis.*;
-import jalview.api.AlignmentViewPanel;
+import jalview.analysis.AlignSeq;
import jalview.api.StructureSelectionManagerProvider;
-import jalview.datamodel.*;
+import jalview.datamodel.AlignedCodonFrame;
+import jalview.datamodel.AlignmentAnnotation;
+import jalview.datamodel.Annotation;
+import jalview.datamodel.PDBEntry;
+import jalview.datamodel.SearchResults;
+import jalview.datamodel.SequenceI;
+import jalview.io.FormatAdapter;
+import jalview.util.MessageManager;
+
+import java.io.PrintStream;
+import java.util.Enumeration;
+import java.util.HashMap;
+import java.util.IdentityHashMap;
+import java.util.Vector;
+
+import MCview.Atom;
+import MCview.PDBChain;
public class StructureSelectionManager
{
@@ -52,11 +66,58 @@ public class StructureSelectionManager
}
}
- Hashtable mappingData = new Hashtable();
+ /**
+ * map between the PDB IDs (or structure identifiers) used by Jalview and the
+ * absolute filenames for PDB data that corresponds to it
+ */
+ HashMap pdbIdFileName = new HashMap(),
+ pdbFileNameId = new HashMap();
+
+ public void registerPDBFile(String idForFile, String absoluteFile)
+ {
+ pdbIdFileName.put(idForFile, absoluteFile);
+ pdbFileNameId.put(absoluteFile, idForFile);
+ }
+
+ public String findIdForPDBFile(String idOrFile)
+ {
+ String id = pdbFileNameId.get(idOrFile);
+ return id;
+ }
+
+ public String findFileForPDBId(String idOrFile)
+ {
+ String id = pdbIdFileName.get(idOrFile);
+ return id;
+ }
+
+ public boolean isPDBFileRegistered(String idOrFile)
+ {
+ return pdbFileNameId.containsKey(idOrFile)
+ || pdbIdFileName.containsKey(idOrFile);
+ }
+
+ private static StructureSelectionManager nullProvider = null;
public static StructureSelectionManager getStructureSelectionManager(
StructureSelectionManagerProvider context)
{
+ if (context == null)
+ {
+ if (nullProvider == null)
+ {
+ if (instances != null)
+ {
+ throw new Error(MessageManager.getString("error.implementation_error_structure_selection_manager_null"),
+ new NullPointerException(MessageManager.getString("exception.ssm_context_is_null")));
+ }
+ else
+ {
+ nullProvider = new StructureSelectionManager();
+ }
+ return nullProvider;
+ }
+ }
if (instances == null)
{
instances = new java.util.IdentityHashMap();
@@ -64,7 +125,15 @@ public class StructureSelectionManager
StructureSelectionManager instance = instances.get(context);
if (instance == null)
{
- instances.put(context, instance = new StructureSelectionManager());
+ if (nullProvider != null)
+ {
+ instance = nullProvider;
+ }
+ else
+ {
+ instance = new StructureSelectionManager();
+ }
+ instances.put(context, instance);
}
return instance;
}
@@ -129,9 +198,33 @@ public class StructureSelectionManager
}
/**
+ * Import structure data and register a structure mapping for broadcasting
+ * colouring, mouseovers and selection events (convenience wrapper).
+ *
+ * @param sequence
+ * - one or more sequences to be mapped to pdbFile
+ * @param targetChains
+ * - optional chain specification for mapping each sequence to pdb
+ * (may be nill, individual elements may be nill)
+ * @param pdbFile
+ * - structure data resource
+ * @param protocol
+ * - how to resolve data from resource
+ * @return null or the structure data parsed as a pdb file
+ */
+ synchronized public MCview.PDBfile setMapping(SequenceI[] sequence,
+ String[] targetChains, String pdbFile, String protocol)
+ {
+ return setMapping(true, sequence, targetChains, pdbFile, protocol);
+ }
+
+ /**
* create sequence structure mappings between each sequence and the given
* pdbFile (retrieved via the given protocol).
*
+ * @param forStructureView
+ * when true, record the mapping for use in mouseOvers
+ *
* @param sequence
* - one or more sequences to be mapped to pdbFile
* @param targetChains
@@ -143,7 +236,8 @@ public class StructureSelectionManager
* - how to resolve data from resource
* @return null or the structure data parsed as a pdb file
*/
- synchronized public MCview.PDBfile setMapping(SequenceI[] sequence,
+ synchronized public MCview.PDBfile setMapping(boolean forStructureView,
+ SequenceI[] sequence,
String[] targetChains, String pdbFile, String protocol)
{
/*
@@ -151,9 +245,41 @@ public class StructureSelectionManager
* the tried and tested MCview pdb mapping
*/
MCview.PDBfile pdb = null;
+ boolean parseSecStr=true;
+ if (isPDBFileRegistered(pdbFile))
+ {
+ for (SequenceI sq : sequence)
+ {
+ SequenceI ds = sq;
+ while (ds.getDatasetSequence() != null)
+ {
+ ds = ds.getDatasetSequence();
+ }
+ ;
+ if (ds.getAnnotation() != null)
+ {
+ for (AlignmentAnnotation ala : ds.getAnnotation())
+ {
+ // false if any annotation present from this structure
+ // JBPNote this fails for jmol/chimera view because the *file* is
+ // passed, not the structure data ID -
+ if (MCview.PDBfile.isCalcIdForFile(ala,
+ findIdForPDBFile(pdbFile)))
+ {
+ parseSecStr = false;
+ }
+ }
+ }
+ }
+ }
try
{
- pdb = new MCview.PDBfile(pdbFile, protocol);
+ pdb = new MCview.PDBfile(true, parseSecStr, pdbFile, protocol);
+ if (pdb.id != null && pdb.id.trim().length() > 0
+ && FormatAdapter.FILE.equals(protocol))
+ {
+ registerPDBFile(pdb.id.trim(), pdbFile);
+ }
} catch (Exception ex)
{
ex.printStackTrace();
@@ -187,7 +313,9 @@ public class StructureSelectionManager
}
}
else
+ {
targetChain = "";
+ }
int max = -10;
AlignSeq maxAlignseq = null;
@@ -196,7 +324,7 @@ public class StructureSelectionManager
boolean first = true;
for (int i = 0; i < pdb.chains.size(); i++)
{
- PDBChain chain = ((PDBChain) pdb.chains.elementAt(i));
+ PDBChain chain = (pdb.chains.elementAt(i));
if (targetChain.length() > 0 && !targetChain.equals(chain.id)
&& !infChain)
{
@@ -205,8 +333,8 @@ public class StructureSelectionManager
// TODO: correctly determine sequence type for mixed na/peptide
// structures
AlignSeq as = new AlignSeq(sequence[s],
- ((PDBChain) pdb.chains.elementAt(i)).sequence,
- ((PDBChain) pdb.chains.elementAt(i)).isNa ? AlignSeq.DNA
+ pdb.chains.elementAt(i).sequence,
+ pdb.chains.elementAt(i).isNa ? AlignSeq.DNA
: AlignSeq.PEP);
as.calcScoreMatrix();
as.traceAlignment();
@@ -275,24 +403,30 @@ public class StructureSelectionManager
index++;
} while (index < maxChain.atoms.size());
- if (mappings == null)
+ if (protocol.equals(jalview.io.AppletFormatAdapter.PASTE))
{
- mappings = new StructureMapping[1];
+ pdbFile = "INLINE" + pdb.id;
}
- else
+ StructureMapping newMapping = new StructureMapping(sequence[s],
+ pdbFile, pdb.id, maxChainId, mapping,
+ mappingDetails.toString());
+ if (forStructureView)
{
- StructureMapping[] tmp = new StructureMapping[mappings.length + 1];
- System.arraycopy(mappings, 0, tmp, 0, mappings.length);
- mappings = tmp;
- }
- if (protocol.equals(jalview.io.AppletFormatAdapter.PASTE))
- pdbFile = "INLINE" + pdb.id;
+ if (mappings == null)
+ {
+ mappings = new StructureMapping[1];
+ }
+ else
+ {
+ StructureMapping[] tmp = new StructureMapping[mappings.length + 1];
+ System.arraycopy(mappings, 0, tmp, 0, mappings.length);
+ mappings = tmp;
+ }
- mappings[mappings.length - 1] = new StructureMapping(sequence[s],
- pdbFile, pdb.id, maxChainId, mapping,
- mappingDetails.toString());
- maxChain.transferResidueAnnotation(mappings[mappings.length - 1]);
+ mappings[mappings.length - 1] = newMapping;
+ }
+ maxChain.transferResidueAnnotation(newMapping);
}
// ///////
@@ -322,7 +456,9 @@ public class StructureSelectionManager
String[] handlepdbs;
Vector pdbs = new Vector();
for (int i = 0; i < pdbfiles.length; pdbs.addElement(pdbfiles[i++]))
+ {
;
+ }
StructureListener sl;
for (int i = 0; i < listeners.size(); i++)
{
@@ -414,7 +550,9 @@ public class StructureSelectionManager
{
Object li = listeners.elementAt(i);
if (li instanceof SequenceListener)
+ {
((SequenceListener) li).highlightSequence(results);
+ }
}
}
}
@@ -438,7 +576,9 @@ public class StructureSelectionManager
boolean hasSequenceListeners = handlingVamsasMo || seqmappings != null;
SearchResults results = null;
if (index == -1)
+ {
index = seq.findPosition(indexpos);
+ }
StructureListener sl;
int atomNo = 0;
for (int i = 0; i < listeners.size(); i++)
@@ -656,9 +796,13 @@ public class StructureSelectionManager
AlignedCodonFrame[] codonFrames)
{
if (!add && (seqmappings == null || seqmappings.size() == 0))
+ {
return;
+ }
if (seqmappings == null)
+ {
seqmappings = new Vector();
+ }
if (codonFrames != null && codonFrames.length > 0)
{
for (int cf = 0; cf < codonFrames.length; cf++)
@@ -696,8 +840,10 @@ public class StructureSelectionManager
int[] nsr = new int[(seqmappingrefs == null) ? 1
: seqmappingrefs.length + 1];
if (seqmappingrefs != null && seqmappingrefs.length > 0)
+ {
System.arraycopy(seqmappingrefs, 0, nsr, 0,
seqmappingrefs.length);
+ }
nsr[(seqmappingrefs == null) ? 0 : seqmappingrefs.length] = 1;
seqmappingrefs = nsr;
}
@@ -784,10 +930,10 @@ public class StructureSelectionManager
listeners.clear();
listeners = null;
}
- if (mappingData != null)
+ if (pdbIdFileName != null)
{
- mappingData.clear();
- mappingData = null;
+ pdbIdFileName.clear();
+ pdbIdFileName = null;
}
if (sel_listeners != null)
{
@@ -831,4 +977,13 @@ public class StructureSelectionManager
}
}
+ public void registerPDBEntry(PDBEntry pdbentry)
+ {
+ if (pdbentry.getFile() != null
+ && pdbentry.getFile().trim().length() > 0)
+ {
+ registerPDBFile(pdbentry.getId(), pdbentry.getFile());
+ }
+ }
+
}