2 * Jalview - A Sequence Alignment Editor and Viewer
3 * Copyright (C) 2007 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle
5 * This program is free software; you can redistribute it and/or
6 * modify it under the terms of the GNU General Public License
7 * as published by the Free Software Foundation; either version 2
8 * of the License, or (at your option) any later version.
10 * This program is distributed in the hope that it will be useful,
11 * but WITHOUT ANY WARRANTY; without even the implied warranty of
12 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13 * GNU General Public License for more details.
15 * You should have received a copy of the GNU General Public License
16 * along with this program; if not, write to the Free Software
17 * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA
19 package jalview.structure;
25 import jalview.analysis.*;
26 import jalview.datamodel.*;
28 public class StructureSelectionManager
30 static StructureSelectionManager instance;
32 StructureMapping[] mappings;
34 Hashtable mappingData = new Hashtable();
36 public static StructureSelectionManager getStructureSelectionManager()
40 instance = new StructureSelectionManager();
47 * flag controlling whether SeqMappings are relayed from received sequence
48 * mouse over events to other sequences
50 boolean relaySeqMappings = true;
53 * Enable or disable relay of seqMapping events to other sequences. You might
54 * want to do this if there are many sequence mappings and the host computer
59 public void setRelaySeqMappings(boolean relay)
61 relaySeqMappings = relay;
65 * get the state of the relay seqMappings flag.
67 * @return true if sequence mouse overs are being relayed to other mapped
70 public boolean isRelaySeqMappingsEnabled()
72 return relaySeqMappings;
75 Vector listeners = new Vector();
77 public void addStructureViewerListener(Object svl)
79 if (!listeners.contains(svl))
81 listeners.addElement(svl);
85 public String alreadyMappedToFile(String pdbid)
89 for (int i = 0; i < mappings.length; i++)
91 if (mappings[i].getPdbId().equals(pdbid))
93 return mappings[i].pdbfile;
101 * There will be better ways of doing this in the future, for now we'll use
102 * the tried and tested MCview pdb mapping
104 synchronized public MCview.PDBfile setMapping(SequenceI[] sequence,
105 String[] targetChains, String pdbFile, String protocol)
107 MCview.PDBfile pdb = null;
110 pdb = new MCview.PDBfile(pdbFile, protocol);
111 } catch (Exception ex)
113 ex.printStackTrace();
118 for (int s = 0; s < sequence.length; s++)
120 if (targetChains != null && targetChains[s] != null)
121 targetChain = targetChains[s];
122 else if (sequence[s].getName().indexOf("|") > -1)
124 targetChain = sequence[s].getName().substring(
125 sequence[s].getName().lastIndexOf("|") + 1);
131 AlignSeq maxAlignseq = null;
132 String maxChainId = " ";
133 PDBChain maxChain = null;
135 for (int i = 0; i < pdb.chains.size(); i++)
137 AlignSeq as = new AlignSeq(sequence[s], ((PDBChain) pdb.chains
138 .elementAt(i)).sequence, AlignSeq.PEP);
139 as.calcScoreMatrix();
141 PDBChain chain = ((PDBChain) pdb.chains.elementAt(i));
143 if (as.maxscore > max
144 || (as.maxscore == max && chain.id.equals(targetChain)))
149 maxChainId = chain.id;
153 final StringBuffer mappingDetails = new StringBuffer();
154 mappingDetails.append("\n\nPDB Sequence is :\nSequence = "
155 + maxChain.sequence.getSequenceAsString());
156 mappingDetails.append("\nNo of residues = "
157 + maxChain.residues.size() + "\n\n");
158 PrintStream ps = new PrintStream(System.out)
160 public void print(String x)
162 mappingDetails.append(x);
165 public void println()
167 mappingDetails.append("\n");
171 maxAlignseq.printAlignment(ps);
173 mappingDetails.append("\nPDB start/end " + maxAlignseq.seq2start
174 + " " + maxAlignseq.seq2end);
175 mappingDetails.append("\nSEQ start/end "
176 + (maxAlignseq.seq1start + sequence[s].getStart() - 1) + " "
177 + (maxAlignseq.seq1end + sequence[s].getEnd() - 1));
179 maxChain.makeExactMapping(maxAlignseq, sequence[s]);
181 maxChain.transferRESNUMFeatures(sequence[s], null);
183 int[][] mapping = new int[sequence[s].getEnd() + 2][2];
189 Atom tmp = (Atom) maxChain.atoms.elementAt(index);
190 if (resNum != tmp.resNumber && tmp.alignmentMapping != -1)
192 resNum = tmp.resNumber;
193 mapping[tmp.alignmentMapping + 1][0] = tmp.resNumber;
194 mapping[tmp.alignmentMapping + 1][1] = tmp.atomIndex;
198 } while (index < maxChain.atoms.size());
200 if (mappings == null)
202 mappings = new StructureMapping[1];
206 StructureMapping[] tmp = new StructureMapping[mappings.length + 1];
207 System.arraycopy(mappings, 0, tmp, 0, mappings.length);
211 if (protocol.equals(jalview.io.AppletFormatAdapter.PASTE))
212 pdbFile = "INLINE" + pdb.id;
214 mappings[mappings.length - 1] = new StructureMapping(sequence[s],
215 pdbFile, pdb.id, maxChainId, mapping, mappingDetails
217 maxChain.transferResidueAnnotation(mappings[mappings.length - 1]);
224 public void removeStructureViewerListener(Object svl, String pdbfile)
226 listeners.removeElement(svl);
228 boolean removeMapping = true;
230 StructureListener sl;
231 for (int i = 0; i < listeners.size(); i++)
233 if (listeners.elementAt(i) instanceof StructureListener)
235 sl = (StructureListener) listeners.elementAt(i);
236 if (sl.getPdbFile().equals(pdbfile))
238 removeMapping = false;
244 if (removeMapping && mappings != null)
246 Vector tmp = new Vector();
247 for (int i = 0; i < mappings.length; i++)
249 if (!mappings[i].pdbfile.equals(pdbfile))
251 tmp.addElement(mappings[i]);
255 mappings = new StructureMapping[tmp.size()];
256 tmp.copyInto(mappings);
260 public void mouseOverStructure(int pdbResNum, String chain, String pdbfile)
262 SearchResults results = null;
263 for (int i = 0; i < listeners.size(); i++)
265 if (listeners.elementAt(i) instanceof SequenceListener)
269 results = new SearchResults();
271 for (int j = 0; j < mappings.length; j++)
273 if (mappings[j].pdbfile.equals(pdbfile)
274 && mappings[j].pdbchain.equals(chain))
276 results.addResult(mappings[j].sequence, mappings[j]
277 .getSeqPos(pdbResNum), mappings[j]
278 .getSeqPos(pdbResNum));
282 if (results.getSize() > 0)
284 ((SequenceListener) listeners.elementAt(i))
285 .highlightSequence(results);
292 Vector seqmappings = null; // should be a simpler list of mapped seuqence
296 public void mouseOverSequence(SequenceI seq, int index)
298 boolean hasSequenceListeners = handlingVamsasMo || seqmappings != null;
299 SearchResults results = null;
300 StructureListener sl;
302 for (int i = 0; i < listeners.size(); i++)
304 if (listeners.elementAt(i) instanceof StructureListener)
306 sl = (StructureListener) listeners.elementAt(i);
308 for (int j = 0; j < mappings.length; j++)
310 if (mappings[j].sequence == seq)
312 atomNo = mappings[j].getAtomNum(index);
316 sl.highlightAtom(atomNo, mappings[j].getPDBResNum(index),
317 mappings[j].pdbchain, mappings[j].pdbfile);
324 if (relaySeqMappings && hasSequenceListeners
325 && listeners.elementAt(i) instanceof SequenceListener)
328 //System.err.println("relay Seq " + seq.getDisplayId(false) + " " +
333 results = new SearchResults();
334 if (index >= seq.getStart() && index <= seq.getEnd())
336 // construct highlighted sequence list
338 if (seqmappings!=null)
340 Enumeration e = seqmappings.elements();
341 while (e.hasMoreElements())
344 ((AlignedCodonFrame) e.nextElement()).markMappedRegion(
345 seq, index, results);
348 // hasSequenceListeners = results.getSize() > 0;
349 if (handlingVamsasMo)
351 // add in additional direct sequence and/or dataset sequence
353 results.addResult(seq, index, index);
357 if (hasSequenceListeners)
359 ((SequenceListener) listeners.elementAt(i))
360 .highlightSequence(results);
363 else if (listeners.elementAt(i) instanceof VamsasListener
364 && !handlingVamsasMo)
367 //System.err.println("Vamsas from Seq " + seq.getDisplayId(false) + " " +
369 // pass the mouse over onto the VamsasListener(s)
370 ((VamsasListener) listeners.elementAt(i)).mouseOver(seq, index);
377 * true if a mouse over event from an external (ie Vamsas) source is being
380 boolean handlingVamsasMo = false;
383 * as mouseOverSequence but only route event to SequenceListeners
388 public void mouseOverVamsasSequence(SequenceI sequenceI, int position)
390 handlingVamsasMo = true;
391 mouseOverSequence(sequenceI, position);
392 handlingVamsasMo = false;
395 public Annotation[] colourSequenceFromStructure(SequenceI seq,
399 // THIS WILL NOT BE AVAILABLE IN JALVIEW 2.3,
400 // UNTIL THE COLOUR BY ANNOTATION IS REWORKED
402 * Annotation [] annotations = new Annotation[seq.getLength()];
404 * StructureListener sl; int atomNo = 0; for (int i = 0; i <
405 * listeners.size(); i++) { if (listeners.elementAt(i) instanceof
406 * StructureListener) { sl = (StructureListener) listeners.elementAt(i);
408 * for (int j = 0; j < mappings.length; j++) {
410 * if (mappings[j].sequence == seq && mappings[j].getPdbId().equals(pdbid) &&
411 * mappings[j].pdbfile.equals(sl.getPdbFile())) { System.out.println(pdbid+"
412 * "+mappings[j].getPdbId() +" "+mappings[j].pdbfile);
414 * java.awt.Color col; for(int index=0; index<seq.getLength(); index++) {
415 * if(jalview.util.Comparison.isGap(seq.getCharAt(index))) continue;
417 * atomNo = mappings[j].getAtomNum(seq.findPosition(index)); col =
418 * java.awt.Color.white; if (atomNo > 0) { col = sl.getColour(atomNo,
419 * mappings[j].getPDBResNum(index), mappings[j].pdbchain,
420 * mappings[j].pdbfile); }
422 * annotations[index] = new Annotation("X",null,' ',0,col); } return
423 * annotations; } } } }
425 * return annotations;
429 public void structureSelectionChanged()
433 public void sequenceSelectionChanged()
437 public void sequenceColoursChanged(Object source)
439 StructureListener sl;
440 for (int i = 0; i < listeners.size(); i++)
442 if (listeners.elementAt(i) instanceof StructureListener)
444 sl = (StructureListener) listeners.elementAt(i);
445 sl.updateColours(source);
450 public StructureMapping[] getMapping(String pdbfile)
452 Vector tmp = new Vector();
453 for (int i = 0; i < mappings.length; i++)
455 if (mappings[i].pdbfile.equals(pdbfile))
457 tmp.addElement(mappings[i]);
461 StructureMapping[] ret = new StructureMapping[tmp.size()];
462 for (int i = 0; i < tmp.size(); i++)
464 ret[i] = (StructureMapping) tmp.elementAt(i);
470 public String printMapping(String pdbfile)
472 StringBuffer sb = new StringBuffer();
473 for (int i = 0; i < mappings.length; i++)
475 if (mappings[i].pdbfile.equals(pdbfile))
477 sb.append(mappings[i].mappingDetails);
481 return sb.toString();
484 private int[] seqmappingrefs = null; // refcount for seqmappings elements
486 private synchronized void modifySeqMappingList(boolean add,
487 AlignedCodonFrame[] codonFrames)
489 if (!add && (seqmappings == null || seqmappings.size() == 0))
491 if (seqmappings == null)
492 seqmappings = new Vector();
493 if (codonFrames != null && codonFrames.length > 0)
495 for (int cf = 0; cf < codonFrames.length; cf++)
497 if (seqmappings.contains(codonFrames[cf]))
501 seqmappingrefs[seqmappings.indexOf(codonFrames[cf])]++;
505 if (--seqmappingrefs[seqmappings.indexOf(codonFrames[cf])] <= 0)
507 int pos = seqmappings.indexOf(codonFrames[cf]);
508 int[] nr = new int[seqmappingrefs.length - 1];
511 System.arraycopy(seqmappingrefs, 0, nr, 0, pos);
513 if (pos < seqmappingrefs.length - 1)
515 System.arraycopy(seqmappingrefs, pos + 1, nr, 0,
516 seqmappingrefs.length - pos - 2);
525 seqmappings.addElement(codonFrames[cf]);
527 int[] nsr = new int[(seqmappingrefs == null) ? 1
528 : seqmappingrefs.length + 1];
529 if (seqmappingrefs != null && seqmappingrefs.length > 0)
530 System.arraycopy(seqmappingrefs, 0, nsr, 0,
531 seqmappingrefs.length);
532 nsr[(seqmappingrefs == null) ? 0 : seqmappingrefs.length] = 1;
533 seqmappingrefs = nsr;
540 public void removeMappings(AlignedCodonFrame[] codonFrames)
542 modifySeqMappingList(false, codonFrames);
545 public void addMappings(AlignedCodonFrame[] codonFrames)
547 modifySeqMappingList(true, codonFrames);