/*
* Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
* Copyright (C) $$Year-Rel$$ 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.
*
* 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 .
* The Jalview Authors are detailed in the 'AUTHORS' file.
*/
package jalview.structure;
import jalview.analysis.AlignSeq;
import jalview.api.StructureSelectionManagerProvider;
import jalview.commands.CommandI;
import jalview.commands.EditCommand;
import jalview.commands.OrderCommand;
import jalview.datamodel.AlignedCodonFrame;
import jalview.datamodel.AlignmentAnnotation;
import jalview.datamodel.AlignmentI;
import jalview.datamodel.Annotation;
import jalview.datamodel.HiddenColumns;
import jalview.datamodel.PDBEntry;
import jalview.datamodel.SearchResults;
import jalview.datamodel.SearchResultsI;
import jalview.datamodel.SequenceI;
import jalview.ext.jmol.JmolParser;
import jalview.gui.IProgressIndicator;
import jalview.io.AppletFormatAdapter;
import jalview.io.DataSourceType;
import jalview.io.StructureFile;
import jalview.util.MappingUtils;
import jalview.util.MessageManager;
import jalview.ws.sifts.SiftsClient;
import jalview.ws.sifts.SiftsException;
import jalview.ws.sifts.SiftsSettings;
import java.io.PrintStream;
import java.util.ArrayList;
import java.util.Arrays;
import java.util.Collections;
import java.util.Enumeration;
import java.util.HashMap;
import java.util.IdentityHashMap;
import java.util.List;
import java.util.Map;
import java.util.Vector;
import MCview.Atom;
import MCview.PDBChain;
import MCview.PDBfile;
public class StructureSelectionManager
{
public final static String NEWLINE = System.lineSeparator();
static IdentityHashMap instances;
private List mappings = new ArrayList<>();
private boolean processSecondaryStructure = false;
private boolean secStructServices = false;
private boolean addTempFacAnnot = false;
private SiftsClient siftsClient = null;
/*
* Set of any registered mappings between (dataset) sequences.
*/
private List seqmappings = new ArrayList<>();
private List commandListeners = new ArrayList<>();
private List sel_listeners = new ArrayList<>();
/**
* @return true if will try to use external services for processing secondary
* structure
*/
public boolean isSecStructServices()
{
return secStructServices;
}
/**
* control use of external services for processing secondary structure
*
* @param secStructServices
*/
public void setSecStructServices(boolean secStructServices)
{
this.secStructServices = secStructServices;
}
/**
* flag controlling addition of any kind of structural annotation
*
* @return true if temperature factor annotation will be added
*/
public boolean isAddTempFacAnnot()
{
return addTempFacAnnot;
}
/**
* set flag controlling addition of structural annotation
*
* @param addTempFacAnnot
*/
public void setAddTempFacAnnot(boolean addTempFacAnnot)
{
this.addTempFacAnnot = addTempFacAnnot;
}
/**
*
* @return if true, the structure manager will attempt to add secondary
* structure lines for unannotated sequences
*/
public boolean isProcessSecondaryStructure()
{
return processSecondaryStructure;
}
/**
* Control whether structure manager will try to annotate mapped sequences
* with secondary structure from PDB data.
*
* @param enable
*/
public void setProcessSecondaryStructure(boolean enable)
{
processSecondaryStructure = enable;
}
/**
* debug function - write all mappings to stdout
*/
public void reportMapping()
{
if (mappings.isEmpty())
{
System.err.println("reportMapping: No PDB/Sequence mappings.");
}
else
{
System.err.println(
"reportMapping: There are " + mappings.size() + " mappings.");
int i = 0;
for (StructureMapping sm : mappings)
{
System.err.println("mapping " + i++ + " : " + sm.pdbfile);
}
}
}
/**
* map between the PDB IDs (or structure identifiers) used by Jalview and the
* absolute filenames for PDB data that corresponds to it
*/
Map pdbIdFileName = new HashMap<>();
Map 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<>();
}
StructureSelectionManager instance = instances.get(context);
if (instance == null)
{
if (nullProvider != null)
{
instance = nullProvider;
}
else
{
instance = new StructureSelectionManager();
}
instances.put(context, instance);
}
return instance;
}
/**
* flag controlling whether SeqMappings are relayed from received sequence
* mouse over events to other sequences
*/
boolean relaySeqMappings = true;
/**
* Enable or disable relay of seqMapping events to other sequences. You might
* want to do this if there are many sequence mappings and the host computer
* is slow
*
* @param relay
*/
public void setRelaySeqMappings(boolean relay)
{
relaySeqMappings = relay;
}
/**
* get the state of the relay seqMappings flag.
*
* @return true if sequence mouse overs are being relayed to other mapped
* sequences
*/
public boolean isRelaySeqMappingsEnabled()
{
return relaySeqMappings;
}
Vector listeners = new Vector();
/**
* register a listener for alignment sequence mouseover events
*
* @param svl
*/
public void addStructureViewerListener(Object svl)
{
if (!listeners.contains(svl))
{
listeners.addElement(svl);
}
}
/**
* Returns the file name for a mapped PDB id (or null if not mapped).
*
* @param pdbid
* @return
*/
public String alreadyMappedToFile(String pdbid)
{
for (StructureMapping sm : mappings)
{
if (sm.getPdbId().equals(pdbid))
{
return sm.pdbfile;
}
}
return null;
}
/**
* 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 StructureFile setMapping(SequenceI[] sequence,
String[] targetChains, String pdbFile, DataSourceType protocol,
IProgressIndicator progress)
{
return computeMapping(true, sequence, targetChains, pdbFile, protocol,
progress);
}
/**
* 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 sequenceArray
* - one or more sequences to be mapped to pdbFile
* @param targetChainIds
* - optional chain specification for mapping each sequence to pdb
* (may be nill, individual elements may be nill) - JBPNote: JAL-2693
* - this should be List>, empty lists indicate no
* predefined mappings
* @param pdbFile
* - structure data resource
* @param sourceType
* - how to resolve data from resource
* @return null or the structure data parsed as a pdb file
*/
synchronized public StructureFile setMapping(boolean forStructureView,
SequenceI[] sequenceArray, String[] targetChainIds,
String pdbFile, DataSourceType sourceType)
{
return computeMapping(forStructureView, sequenceArray, targetChainIds,
pdbFile, sourceType, null);
}
synchronized public StructureFile computeMapping(
boolean forStructureView, SequenceI[] sequenceArray,
String[] targetChainIds, String pdbFile, DataSourceType sourceType,
IProgressIndicator progress)
{
long progressSessionId = System.currentTimeMillis() * 3;
/*
* There will be better ways of doing this in the future, for now we'll use
* the tried and tested MCview pdb mapping
*/
boolean parseSecStr = processSecondaryStructure;
if (isPDBFileRegistered(pdbFile))
{
for (SequenceI sq : sequenceArray)
{
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 (PDBfile.isCalcIdForFile(ala, findIdForPDBFile(pdbFile)))
{
parseSecStr = false;
}
}
}
}
}
StructureFile pdb = null;
boolean isMapUsingSIFTs = SiftsSettings.isMapWithSifts();
try
{
sourceType = AppletFormatAdapter.checkProtocol(pdbFile);
pdb = new JmolParser(pdbFile, sourceType);
if (pdb.getId() != null && pdb.getId().trim().length() > 0
&& DataSourceType.FILE == sourceType)
{
registerPDBFile(pdb.getId().trim(), pdbFile);
}
// if PDBId is unavailable then skip SIFTS mapping execution path
isMapUsingSIFTs = isMapUsingSIFTs && pdb.isPPDBIdAvailable();
} catch (Exception ex)
{
ex.printStackTrace();
return null;
}
try
{
if (isMapUsingSIFTs)
{
siftsClient = new SiftsClient(pdb);
}
} catch (SiftsException e)
{
isMapUsingSIFTs = false;
e.printStackTrace();
}
String targetChainId;
for (int s = 0; s < sequenceArray.length; s++)
{
boolean infChain = true;
final SequenceI seq = sequenceArray[s];
SequenceI ds = seq;
while (ds.getDatasetSequence() != null)
{
ds = ds.getDatasetSequence();
}
if (targetChainIds != null && targetChainIds[s] != null)
{
infChain = false;
targetChainId = targetChainIds[s];
}
else if (seq.getName().indexOf("|") > -1)
{
targetChainId = seq.getName()
.substring(seq.getName().lastIndexOf("|") + 1);
if (targetChainId.length() > 1)
{
if (targetChainId.trim().length() == 0)
{
targetChainId = " ";
}
else
{
// not a valid chain identifier
targetChainId = "";
}
}
}
else
{
targetChainId = "";
}
/*
* Attempt pairwise alignment of the sequence with each chain in the PDB,
* and remember the highest scoring chain
*/
float max = -10;
AlignSeq maxAlignseq = null;
String maxChainId = " ";
PDBChain maxChain = null;
boolean first = true;
for (PDBChain chain : pdb.getChains())
{
if (targetChainId.length() > 0 && !targetChainId.equals(chain.id)
&& !infChain)
{
continue; // don't try to map chains don't match.
}
// TODO: correctly determine sequence type for mixed na/peptide
// structures
final String type = chain.isNa ? AlignSeq.DNA : AlignSeq.PEP;
AlignSeq as = AlignSeq.doGlobalNWAlignment(seq, chain.sequence,
type);
// equivalent to:
// AlignSeq as = new AlignSeq(sequence[s], chain.sequence, type);
// as.calcScoreMatrix();
// as.traceAlignment();
if (first || as.maxscore > max
|| (as.maxscore == max && chain.id.equals(targetChainId)))
{
first = false;
maxChain = chain;
max = as.maxscore;
maxAlignseq = as;
maxChainId = chain.id;
}
}
if (maxChain == null)
{
continue;
}
if (sourceType == DataSourceType.PASTE)
{
pdbFile = "INLINE" + pdb.getId();
}
List seqToStrucMapping = new ArrayList<>();
if (isMapUsingSIFTs && seq.isProtein())
{
if (progress!=null) {
progress.setProgressBar(MessageManager
.getString("status.obtaining_mapping_with_sifts"),
progressSessionId);
}
jalview.datamodel.Mapping sqmpping = maxAlignseq
.getMappingFromS1(false);
if (targetChainId != null && !targetChainId.trim().isEmpty())
{
StructureMapping siftsMapping;
try
{
siftsMapping = getStructureMapping(seq, pdbFile, targetChainId,
pdb, maxChain, sqmpping, maxAlignseq);
seqToStrucMapping.add(siftsMapping);
maxChain.makeExactMapping(maxAlignseq, seq);
maxChain.transferRESNUMFeatures(seq, null);// FIXME: is this
// "IEA:SIFTS" ?
maxChain.transferResidueAnnotation(siftsMapping, sqmpping);
ds.addPDBId(maxChain.sequence.getAllPDBEntries().get(0));
} catch (SiftsException e)
{
// fall back to NW alignment
System.err.println(e.getMessage());
StructureMapping nwMapping = getNWMappings(seq, pdbFile,
targetChainId, maxChain, pdb, maxAlignseq);
seqToStrucMapping.add(nwMapping);
maxChain.makeExactMapping(maxAlignseq, seq);
maxChain.transferRESNUMFeatures(seq, null); // FIXME: is this
// "IEA:Jalview" ?
maxChain.transferResidueAnnotation(nwMapping, sqmpping);
ds.addPDBId(maxChain.sequence.getAllPDBEntries().get(0));
}
}
else
{
List foundSiftsMappings = new ArrayList<>();
for (PDBChain chain : pdb.getChains())
{
try
{
StructureMapping siftsMapping = getStructureMapping(seq,
pdbFile, chain.id, pdb, chain, sqmpping, maxAlignseq);
foundSiftsMappings.add(siftsMapping);
} catch (SiftsException e)
{
System.err.println(e.getMessage());
}
}
if (!foundSiftsMappings.isEmpty())
{
seqToStrucMapping.addAll(foundSiftsMappings);
maxChain.makeExactMapping(maxAlignseq, seq);
maxChain.transferRESNUMFeatures(seq, null);// FIXME: is this
// "IEA:SIFTS" ?
maxChain.transferResidueAnnotation(foundSiftsMappings.get(0),
sqmpping);
ds.addPDBId(sqmpping.getTo().getAllPDBEntries().get(0));
}
else
{
StructureMapping nwMapping = getNWMappings(seq, pdbFile,
maxChainId, maxChain, pdb, maxAlignseq);
seqToStrucMapping.add(nwMapping);
maxChain.transferRESNUMFeatures(seq, null); // FIXME: is this
// "IEA:Jalview" ?
maxChain.transferResidueAnnotation(nwMapping, sqmpping);
ds.addPDBId(maxChain.sequence.getAllPDBEntries().get(0));
}
}
}
else
{
if (progress != null)
{
progress.setProgressBar(MessageManager
.getString("status.obtaining_mapping_with_nw_alignment"),
progressSessionId);
}
StructureMapping nwMapping = getNWMappings(seq, pdbFile, maxChainId,
maxChain, pdb, maxAlignseq);
seqToStrucMapping.add(nwMapping);
ds.addPDBId(maxChain.sequence.getAllPDBEntries().get(0));
}
if (forStructureView)
{
mappings.addAll(seqToStrucMapping);
}
if (progress != null)
{
progress.setProgressBar(null, progressSessionId);
}
}
return pdb;
}
public void addStructureMapping(StructureMapping sm)
{
mappings.add(sm);
}
/**
* retrieve a mapping for seq from SIFTs using associated DBRefEntry for
* uniprot or PDB
*
* @param seq
* @param pdbFile
* @param targetChainId
* @param pdb
* @param maxChain
* @param sqmpping
* @param maxAlignseq
* @return
* @throws SiftsException
*/
private StructureMapping getStructureMapping(SequenceI seq,
String pdbFile, String targetChainId, StructureFile pdb,
PDBChain maxChain, jalview.datamodel.Mapping sqmpping,
AlignSeq maxAlignseq) throws SiftsException
{
StructureMapping curChainMapping = siftsClient
.getSiftsStructureMapping(seq, pdbFile, targetChainId);
try
{
PDBChain chain = pdb.findChain(targetChainId);
if (chain != null)
{
chain.transferResidueAnnotation(curChainMapping, sqmpping);
}
} catch (Exception e)
{
e.printStackTrace();
}
return curChainMapping;
}
private StructureMapping getNWMappings(SequenceI seq, String pdbFile,
String maxChainId, PDBChain maxChain, StructureFile pdb,
AlignSeq maxAlignseq)
{
final StringBuilder mappingDetails = new StringBuilder(128);
mappingDetails.append(NEWLINE)
.append("Sequence \u27f7 Structure mapping details");
mappingDetails.append(NEWLINE);
mappingDetails
.append("Method: inferred with Needleman & Wunsch alignment");
mappingDetails.append(NEWLINE).append("PDB Sequence is :")
.append(NEWLINE).append("Sequence = ")
.append(maxChain.sequence.getSequenceAsString());
mappingDetails.append(NEWLINE).append("No of residues = ")
.append(maxChain.residues.size()).append(NEWLINE)
.append(NEWLINE);
PrintStream ps = new PrintStream(System.out)
{
@Override
public void print(String x)
{
mappingDetails.append(x);
}
@Override
public void println()
{
mappingDetails.append(NEWLINE);
}
};
maxAlignseq.printAlignment(ps);
mappingDetails.append(NEWLINE).append("PDB start/end ");
mappingDetails.append(String.valueOf(maxAlignseq.seq2start))
.append(" ");
mappingDetails.append(String.valueOf(maxAlignseq.seq2end));
mappingDetails.append(NEWLINE).append("SEQ start/end ");
mappingDetails
.append(String
.valueOf(maxAlignseq.seq1start + (seq.getStart() - 1)))
.append(" ");
mappingDetails.append(
String.valueOf(maxAlignseq.seq1end + (seq.getStart() - 1)));
mappingDetails.append(NEWLINE);
maxChain.makeExactMapping(maxAlignseq, seq);
jalview.datamodel.Mapping sqmpping = maxAlignseq
.getMappingFromS1(false);
maxChain.transferRESNUMFeatures(seq, null);
HashMap mapping = new HashMap<>();
int resNum = -10000;
int index = 0;
char insCode = ' ';
do
{
Atom tmp = maxChain.atoms.elementAt(index);
if ((resNum != tmp.resNumber || insCode != tmp.insCode)
&& tmp.alignmentMapping != -1)
{
resNum = tmp.resNumber;
insCode = tmp.insCode;
if (tmp.alignmentMapping >= -1)
{
mapping.put(tmp.alignmentMapping + 1,
new int[]
{ tmp.resNumber, tmp.atomIndex });
}
}
index++;
} while (index < maxChain.atoms.size());
StructureMapping nwMapping = new StructureMapping(seq, pdbFile,
pdb.getId(), maxChainId, mapping, mappingDetails.toString());
maxChain.transferResidueAnnotation(nwMapping, sqmpping);
return nwMapping;
}
public void removeStructureViewerListener(Object svl, String[] pdbfiles)
{
listeners.removeElement(svl);
if (svl instanceof SequenceListener)
{
for (int i = 0; i < listeners.size(); i++)
{
if (listeners.elementAt(i) instanceof StructureListener)
{
((StructureListener) listeners.elementAt(i))
.releaseReferences(svl);
}
}
}
if (pdbfiles == null)
{
return;
}
/*
* Remove mappings to the closed listener's PDB files, but first check if
* another listener is still interested
*/
List pdbs = new ArrayList<>(Arrays.asList(pdbfiles));
StructureListener sl;
for (int i = 0; i < listeners.size(); i++)
{
if (listeners.elementAt(i) instanceof StructureListener)
{
sl = (StructureListener) listeners.elementAt(i);
for (String pdbfile : sl.getStructureFiles())
{
pdbs.remove(pdbfile);
}
}
}
/*
* Rebuild the mappings set, retaining only those which are for 'other' PDB
* files
*/
if (pdbs.size() > 0)
{
List tmp = new ArrayList<>();
for (StructureMapping sm : mappings)
{
if (!pdbs.contains(sm.pdbfile))
{
tmp.add(sm);
}
}
mappings = tmp;
}
}
/**
* Propagate mouseover of a single position in a structure
*
* @param pdbResNum
* @param chain
* @param pdbfile
*/
public void mouseOverStructure(int pdbResNum, String chain,
String pdbfile)
{
AtomSpec atomSpec = new AtomSpec(pdbfile, chain, pdbResNum, 0);
List atoms = Collections.singletonList(atomSpec);
mouseOverStructure(atoms);
}
/**
* Propagate mouseover or selection of multiple positions in a structure
*
* @param atoms
*/
public void mouseOverStructure(List atoms)
{
if (listeners == null)
{
// old or prematurely sent event
return;
}
boolean hasSequenceListener = false;
for (int i = 0; i < listeners.size(); i++)
{
if (listeners.elementAt(i) instanceof SequenceListener)
{
hasSequenceListener = true;
}
}
if (!hasSequenceListener)
{
return;
}
SearchResultsI results = findAlignmentPositionsForStructurePositions(
atoms);
for (Object li : listeners)
{
if (li instanceof SequenceListener)
{
((SequenceListener) li).highlightSequence(results);
}
}
}
/**
* Constructs a SearchResults object holding regions (if any) in the Jalview
* alignment which have a mapping to the structure viewer positions in the
* supplied list
*
* @param atoms
* @return
*/
public SearchResultsI findAlignmentPositionsForStructurePositions(
List atoms)
{
SearchResultsI results = new SearchResults();
for (AtomSpec atom : atoms)
{
SequenceI lastseq = null;
int lastipos = -1;
for (StructureMapping sm : mappings)
{
if (sm.pdbfile.equals(atom.getPdbFile())
&& sm.pdbchain.equals(atom.getChain()))
{
int indexpos = sm.getSeqPos(atom.getPdbResNum());
if (lastipos != indexpos || lastseq != sm.sequence)
{
results.addResult(sm.sequence, indexpos, indexpos);
lastipos = indexpos;
lastseq = sm.sequence;
// construct highlighted sequence list
for (AlignedCodonFrame acf : seqmappings)
{
acf.markMappedRegion(sm.sequence, indexpos, results);
}
}
}
}
}
return results;
}
/**
* highlight regions associated with a position (indexpos) in seq
*
* @param seq
* the sequence that the mouse over occurred on
* @param indexpos
* the absolute position being mouseovered in seq (0 to seq.length())
* @param seqPos
* the sequence position (if -1, seq.findPosition is called to
* resolve the residue number)
*/
public void mouseOverSequence(SequenceI seq, int indexpos, int seqPos,
VamsasSource source)
{
boolean hasSequenceListeners = handlingVamsasMo
|| !seqmappings.isEmpty();
SearchResultsI results = null;
if (seqPos == -1)
{
seqPos = seq.findPosition(indexpos);
}
for (int i = 0; i < listeners.size(); i++)
{
Object listener = listeners.elementAt(i);
if (listener == source)
{
// TODO listener (e.g. SeqPanel) is never == source (AlignViewport)
// Temporary fudge with SequenceListener.getVamsasSource()
continue;
}
if (listener instanceof StructureListener)
{
highlightStructure((StructureListener) listener, seq, seqPos);
}
else
{
if (listener instanceof SequenceListener)
{
final SequenceListener seqListener = (SequenceListener) listener;
if (hasSequenceListeners
&& seqListener.getVamsasSource() != source)
{
if (relaySeqMappings)
{
if (results == null)
{
results = MappingUtils.buildSearchResults(seq, seqPos,
seqmappings);
}
if (handlingVamsasMo)
{
results.addResult(seq, seqPos, seqPos);
}
if (!results.isEmpty())
{
seqListener.highlightSequence(results);
}
}
}
}
else if (listener instanceof VamsasListener && !handlingVamsasMo)
{
((VamsasListener) listener).mouseOverSequence(seq, indexpos,
source);
}
else if (listener instanceof SecondaryStructureListener)
{
((SecondaryStructureListener) listener).mouseOverSequence(seq,
indexpos, seqPos);
}
}
}
}
/**
* Send suitable messages to a StructureListener to highlight atoms
* corresponding to the given sequence position(s)
*
* @param sl
* @param seq
* @param positions
*/
public void highlightStructure(StructureListener sl, SequenceI seq,
int... positions)
{
if (!sl.isListeningFor(seq))
{
return;
}
int atomNo;
List atoms = new ArrayList<>();
for (StructureMapping sm : mappings)
{
if (sm.sequence == seq || sm.sequence == seq.getDatasetSequence()
|| (sm.sequence.getDatasetSequence() != null && sm.sequence
.getDatasetSequence() == seq.getDatasetSequence()))
{
for (int index : positions)
{
atomNo = sm.getAtomNum(index);
if (atomNo > 0)
{
atoms.add(new AtomSpec(sm.pdbfile, sm.pdbchain,
sm.getPDBResNum(index), atomNo));
}
}
}
}
sl.highlightAtoms(atoms);
}
/**
* true if a mouse over event from an external (ie Vamsas) source is being
* handled
*/
boolean handlingVamsasMo = false;
long lastmsg = 0;
/**
* as mouseOverSequence but only route event to SequenceListeners
*
* @param sequenceI
* @param position
* in an alignment sequence
*/
public void mouseOverVamsasSequence(SequenceI sequenceI, int position,
VamsasSource source)
{
handlingVamsasMo = true;
long msg = sequenceI.hashCode() * (1 + position);
if (lastmsg != msg)
{
lastmsg = msg;
mouseOverSequence(sequenceI, position, -1, source);
}
handlingVamsasMo = false;
}
public Annotation[] colourSequenceFromStructure(SequenceI seq,
String pdbid)
{
return null;
// THIS WILL NOT BE AVAILABLE IN JALVIEW 2.3,
// UNTIL THE COLOUR BY ANNOTATION IS REWORKED
/*
* Annotation [] annotations = new Annotation[seq.getLength()];
*
* StructureListener sl; int atomNo = 0; for (int i = 0; i <
* listeners.size(); i++) { if (listeners.elementAt(i) instanceof
* StructureListener) { sl = (StructureListener) listeners.elementAt(i);
*
* for (int j = 0; j < mappings.length; j++) {
*
* if (mappings[j].sequence == seq && mappings[j].getPdbId().equals(pdbid)
* && mappings[j].pdbfile.equals(sl.getPdbFile())) {
* System.out.println(pdbid+" "+mappings[j].getPdbId() +"
* "+mappings[j].pdbfile);
*
* java.awt.Color col; for(int index=0; index 0) { col = sl.getColour(atomNo,
* mappings[j].getPDBResNum(index), mappings[j].pdbchain,
* mappings[j].pdbfile); }
*
* annotations[index] = new Annotation("X",null,' ',0,col); } return
* annotations; } } } }
*
* return annotations;
*/
}
public void structureSelectionChanged()
{
}
public void sequenceSelectionChanged()
{
}
public void sequenceColoursChanged(Object source)
{
StructureListener sl;
for (int i = 0; i < listeners.size(); i++)
{
if (listeners.elementAt(i) instanceof StructureListener)
{
sl = (StructureListener) listeners.elementAt(i);
sl.updateColours(source);
}
}
}
public StructureMapping[] getMapping(String pdbfile)
{
List tmp = new ArrayList<>();
for (StructureMapping sm : mappings)
{
if (sm.pdbfile.equals(pdbfile))
{
tmp.add(sm);
}
}
return tmp.toArray(new StructureMapping[tmp.size()]);
}
/**
* Returns a readable description of all mappings for the given pdbfile to any
* of the given sequences
*
* @param pdbfile
* @param seqs
* @return
*/
public String printMappings(String pdbfile, List seqs)
{
if (pdbfile == null || seqs == null || seqs.isEmpty())
{
return "";
}
StringBuilder sb = new StringBuilder(64);
for (StructureMapping sm : mappings)
{
if (sm.pdbfile.equals(pdbfile) && seqs.contains(sm.sequence))
{
sb.append(sm.mappingDetails);
sb.append(NEWLINE);
// separator makes it easier to read multiple mappings
sb.append("=====================");
sb.append(NEWLINE);
}
}
sb.append(NEWLINE);
return sb.toString();
}
/**
* Remove the given mapping
*
* @param acf
*/
public void deregisterMapping(AlignedCodonFrame acf)
{
if (acf != null)
{
boolean removed = seqmappings.remove(acf);
if (removed && seqmappings.isEmpty())
{ // debug
System.out.println("All mappings removed");
}
}
}
/**
* Add each of the given codonFrames to the stored set, if not aready present.
*
* @param mappings
*/
public void registerMappings(List mappings)
{
if (mappings != null)
{
for (AlignedCodonFrame acf : mappings)
{
registerMapping(acf);
}
}
}
/**
* Add the given mapping to the stored set, unless already stored.
*/
public void registerMapping(AlignedCodonFrame acf)
{
if (acf != null)
{
if (!seqmappings.contains(acf))
{
seqmappings.add(acf);
}
}
}
/**
* Resets this object to its initial state by removing all registered
* listeners, codon mappings, PDB file mappings
*/
public void resetAll()
{
if (mappings != null)
{
mappings.clear();
}
if (seqmappings != null)
{
seqmappings.clear();
}
if (sel_listeners != null)
{
sel_listeners.clear();
}
if (listeners != null)
{
listeners.clear();
}
if (commandListeners != null)
{
commandListeners.clear();
}
if (view_listeners != null)
{
view_listeners.clear();
}
if (pdbFileNameId != null)
{
pdbFileNameId.clear();
}
if (pdbIdFileName != null)
{
pdbIdFileName.clear();
}
}
public void addSelectionListener(SelectionListener selecter)
{
if (!sel_listeners.contains(selecter))
{
sel_listeners.add(selecter);
}
}
public void removeSelectionListener(SelectionListener toremove)
{
if (sel_listeners.contains(toremove))
{
sel_listeners.remove(toremove);
}
}
public synchronized void sendSelection(
jalview.datamodel.SequenceGroup selection,
jalview.datamodel.ColumnSelection colsel, HiddenColumns hidden,
SelectionSource source)
{
for (SelectionListener slis : sel_listeners)
{
if (slis != source)
{
slis.selection(selection, colsel, hidden, source);
}
}
}
Vector view_listeners = new Vector<>();
public synchronized void sendViewPosition(
jalview.api.AlignmentViewPanel source, int startRes, int endRes,
int startSeq, int endSeq)
{
if (view_listeners != null && view_listeners.size() > 0)
{
Enumeration listeners = view_listeners
.elements();
while (listeners.hasMoreElements())
{
AlignmentViewPanelListener slis = listeners.nextElement();
if (slis != source)
{
slis.viewPosition(startRes, endRes, startSeq, endSeq, source);
}
;
}
}
}
/**
* release all references associated with this manager provider
*
* @param jalviewLite
*/
public static void release(StructureSelectionManagerProvider jalviewLite)
{
// synchronized (instances)
{
if (instances == null)
{
return;
}
StructureSelectionManager mnger = (instances.get(jalviewLite));
if (mnger != null)
{
instances.remove(jalviewLite);
try
{
mnger.finalize();
} catch (Throwable x)
{
}
}
}
}
public void registerPDBEntry(PDBEntry pdbentry)
{
if (pdbentry.getFile() != null
&& pdbentry.getFile().trim().length() > 0)
{
registerPDBFile(pdbentry.getId(), pdbentry.getFile());
}
}
public void addCommandListener(CommandListener cl)
{
if (!commandListeners.contains(cl))
{
commandListeners.add(cl);
}
}
public boolean hasCommandListener(CommandListener cl)
{
return this.commandListeners.contains(cl);
}
public boolean removeCommandListener(CommandListener l)
{
return commandListeners.remove(l);
}
/**
* Forward a command to any command listeners (except for the command's
* source).
*
* @param command
* the command to be broadcast (in its form after being performed)
* @param undo
* if true, the command was being 'undone'
* @param source
*/
public void commandPerformed(CommandI command, boolean undo,
VamsasSource source)
{
for (CommandListener listener : commandListeners)
{
listener.mirrorCommand(command, undo, this, source);
}
}
/**
* Returns a new CommandI representing the given command as mapped to the
* given sequences. If no mapping could be made, or the command is not of a
* mappable kind, returns null.
*
* @param command
* @param undo
* @param mapTo
* @param gapChar
* @return
*/
public CommandI mapCommand(CommandI command, boolean undo,
final AlignmentI mapTo, char gapChar)
{
if (command instanceof EditCommand)
{
return MappingUtils.mapEditCommand((EditCommand) command, undo, mapTo,
gapChar, seqmappings);
}
else if (command instanceof OrderCommand)
{
return MappingUtils.mapOrderCommand((OrderCommand) command, undo,
mapTo, seqmappings);
}
return null;
}
public List getSequenceMappings()
{
return seqmappings;
}
}