static IdentityHashMap<StructureSelectionManagerProvider, StructureSelectionManager> instances;
- private List<StructureMapping> mappings = new ArrayList<StructureMapping>();
+ private List<StructureMapping> mappings = new ArrayList<>();
private boolean processSecondaryStructure = false;
private boolean addTempFacAnnot = false;
- private IProgressIndicator progressIndicator;
-
private SiftsClient siftsClient = null;
- private long progressSessionId;
-
/*
* Set of any registered mappings between (dataset) sequences.
*/
- private List<AlignedCodonFrame> seqmappings = new ArrayList<AlignedCodonFrame>();
+ private List<AlignedCodonFrame> seqmappings = new ArrayList<>();
- private List<CommandListener> commandListeners = new ArrayList<CommandListener>();
+ private List<CommandListener> commandListeners = new ArrayList<>();
- private List<SelectionListener> sel_listeners = new ArrayList<SelectionListener>();
+ private List<SelectionListener> sel_listeners = new ArrayList<>();
/**
* @return true if will try to use external services for processing secondary
* map between the PDB IDs (or structure identifiers) used by Jalview and the
* absolute filenames for PDB data that corresponds to it
*/
- Map<String, String> pdbIdFileName = new HashMap<String, String>();
+ Map<String, String> pdbIdFileName = new HashMap<>();
- Map<String, String> pdbFileNameId = new HashMap<String, String>();
+ Map<String, String> pdbFileNameId = new HashMap<>();
public void registerPDBFile(String idForFile, String absoluteFile)
{
}
if (instances == null)
{
- instances = new java.util.IdentityHashMap<StructureSelectionManagerProvider, StructureSelectionManager>();
+ instances = new java.util.IdentityHashMap<>();
}
StructureSelectionManager instance = instances.get(context);
if (instance == null)
* @return null or the structure data parsed as a pdb file
*/
synchronized public StructureFile setMapping(SequenceI[] sequence,
- String[] targetChains, String pdbFile, DataSourceType protocol)
+ String[] targetChains, String pdbFile, DataSourceType protocol,
+ IProgressIndicator progress)
+ {
+ return computeMapping(true, sequence, targetChains, pdbFile, protocol,
+ progress);
+ }
+
+ /**
+ * Import a single structure file and register sequence structure mappings for
+ * broadcasting colouring, mouseovers and selection events (convenience
+ * wrapper).
+ *
+ * @param forStructureView
+ * when true, record the mapping for use in mouseOvers
+ * @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(boolean forStructureView,
+ SequenceI[] sequenceArray, String[] targetChainIds,
+ String pdbFile, DataSourceType sourceType)
{
- return setMapping(true, sequence, targetChains, pdbFile, protocol);
+ return computeMapping(forStructureView, sequenceArray, targetChainIds,
+ pdbFile, sourceType, null);
}
/**
* create sequence structure mappings between each sequence and the given
- * pdbFile (retrieved via the given protocol).
+ * pdbFile (retrieved via the given protocol). Either constructs a mapping
+ * using NW alignment or derives one from any available SIFTS mapping data.
*
* @param forStructureView
* when true, record the mapping for use in mouseOvers
* - structure data resource
* @param sourceType
* - how to resolve data from resource
+ * @param IProgressIndicator
+ * reference to UI component that maintains a progress bar for the
+ * mapping operation
* @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)
+ synchronized public StructureFile computeMapping(
+ boolean forStructureView, SequenceI[] sequenceArray,
+ String[] targetChainIds, String pdbFile, DataSourceType sourceType,
+ IProgressIndicator progress)
{
- /*
- * There will be better ways of doing this in the future, for now we'll use
- * the tried and tested MCview pdb mapping
+ long progressSessionId = System.currentTimeMillis() * 3;
*/
boolean parseSecStr = processSecondaryStructure;
if (isPDBFileRegistered(pdbFile))
pdbFile = "INLINE" + pdb.getId();
}
- List<StructureMapping> seqToStrucMapping = new ArrayList<StructureMapping>();
+ List<StructureMapping> seqToStrucMapping = new ArrayList<>();
if (isMapUsingSIFTs && seq.isProtein())
{
- setProgressBar(null);
- setProgressBar(MessageManager
- .getString("status.obtaining_mapping_with_sifts"));
+ 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())
siftsMapping = getStructureMapping(seq, pdbFile, targetChainId,
pdb, maxChain, sqmpping, maxAlignseq);
seqToStrucMapping.add(siftsMapping);
- maxChain.makeExactMapping(maxAlignseq, seq);
- maxChain.transferRESNUMFeatures(seq, null);// FIXME: is this
+ maxChain.makeExactMapping(siftsMapping, seq);
+ maxChain.transferRESNUMFeatures(seq, "IEA: SIFTS");// FIXME: is this
// "IEA:SIFTS" ?
- maxChain.transferResidueAnnotation(siftsMapping, sqmpping);
+ maxChain.transferResidueAnnotation(siftsMapping, null);
ds.addPDBId(maxChain.sequence.getAllPDBEntries().get(0));
} catch (SiftsException e)
targetChainId, maxChain, pdb, maxAlignseq);
seqToStrucMapping.add(nwMapping);
maxChain.makeExactMapping(maxAlignseq, seq);
- maxChain.transferRESNUMFeatures(seq, null); // FIXME: is this
+ maxChain.transferRESNUMFeatures(seq, "IEA:Jalview"); // FIXME: is
+ // this
// "IEA:Jalview" ?
maxChain.transferResidueAnnotation(nwMapping, sqmpping);
ds.addPDBId(maxChain.sequence.getAllPDBEntries().get(0));
}
else
{
- List<StructureMapping> foundSiftsMappings = new ArrayList<StructureMapping>();
+ List<StructureMapping> foundSiftsMappings = new ArrayList<>();
for (PDBChain chain : pdb.getChains())
{
+ StructureMapping siftsMapping = null;
try
{
- StructureMapping siftsMapping = getStructureMapping(seq,
+ siftsMapping = getStructureMapping(seq,
pdbFile, chain.id, pdb, chain, sqmpping, maxAlignseq);
foundSiftsMappings.add(siftsMapping);
+ chain.makeExactMapping(siftsMapping, seq);
+ chain.transferRESNUMFeatures(seq, "IEA: SIFTS");// FIXME: is this
+ // "IEA:SIFTS" ?
+ chain.transferResidueAnnotation(siftsMapping, null);
} 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
}
else
{
- setProgressBar(null);
- setProgressBar(MessageManager
- .getString("status.obtaining_mapping_with_nw_alignment"));
+ 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;
}
PDBChain chain = pdb.findChain(targetChainId);
if (chain != null)
{
- chain.transferResidueAnnotation(curChainMapping, sqmpping);
+ chain.transferResidueAnnotation(curChainMapping, null);
}
} catch (Exception e)
{
.getMappingFromS1(false);
maxChain.transferRESNUMFeatures(seq, null);
- HashMap<Integer, int[]> mapping = new HashMap<Integer, int[]>();
+ HashMap<Integer, int[]> mapping = new HashMap<>();
int resNum = -10000;
int index = 0;
char insCode = ' ';
* Remove mappings to the closed listener's PDB files, but first check if
* another listener is still interested
*/
- List<String> pdbs = new ArrayList<String>(Arrays.asList(pdbfiles));
+ List<String> pdbs = new ArrayList<>(Arrays.asList(pdbfiles));
StructureListener sl;
for (int i = 0; i < listeners.size(); i++)
*/
if (pdbs.size() > 0)
{
- List<StructureMapping> tmp = new ArrayList<StructureMapping>();
+ List<StructureMapping> tmp = new ArrayList<>();
for (StructureMapping sm : mappings)
{
if (!pdbs.contains(sm.pdbfile))
&& sm.pdbchain.equals(atom.getChain()))
{
int indexpos = sm.getSeqPos(atom.getPdbResNum());
- if (lastipos != indexpos && lastseq != sm.sequence)
+ if (lastipos != indexpos || lastseq != sm.sequence)
{
results.addResult(sm.sequence, indexpos, indexpos);
lastipos = indexpos;
return;
}
int atomNo;
- List<AtomSpec> atoms = new ArrayList<AtomSpec>();
+ List<AtomSpec> atoms = new ArrayList<>();
for (StructureMapping sm : mappings)
{
if (sm.sequence == seq || sm.sequence == seq.getDatasetSequence()
public StructureMapping[] getMapping(String pdbfile)
{
- List<StructureMapping> tmp = new ArrayList<StructureMapping>();
+ List<StructureMapping> tmp = new ArrayList<>();
for (StructureMapping sm : mappings)
{
if (sm.pdbfile.equals(pdbfile))
}
}
- Vector<AlignmentViewPanelListener> view_listeners = new Vector<AlignmentViewPanelListener>();
+ Vector<AlignmentViewPanelListener> view_listeners = new Vector<>();
public synchronized void sendViewPosition(
jalview.api.AlignmentViewPanel source, int startRes, int endRes,
return null;
}
- public IProgressIndicator getProgressIndicator()
- {
- return progressIndicator;
- }
-
- public void setProgressIndicator(IProgressIndicator progressIndicator)
- {
- this.progressIndicator = progressIndicator;
- }
-
- public long getProgressSessionId()
- {
- return progressSessionId;
- }
-
- public void setProgressSessionId(long progressSessionId)
- {
- this.progressSessionId = progressSessionId;
- }
-
- public void setProgressBar(String message)
- {
- if (progressIndicator == null)
- {
- return;
- }
- progressIndicator.setProgressBar(message, progressSessionId);
- }
-
public List<AlignedCodonFrame> getSequenceMappings()
{
return seqmappings;
git://source.jalview.org / jalview.git / blobdiff