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package jalview.ext.rbvi.chimera; |
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import java.io.File; |
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import java.io.FileOutputStream; |
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import java.io.IOException; |
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import java.io.PrintWriter; |
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import java.net.BindException; |
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import java.util.ArrayList; |
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import java.util.Collections; |
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import java.util.LinkedHashMap; |
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import java.util.List; |
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import java.util.Map; |
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import ext.edu.ucsf.rbvi.strucviz2.ChimeraManager; |
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import ext.edu.ucsf.rbvi.strucviz2.ChimeraModel; |
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import ext.edu.ucsf.rbvi.strucviz2.StructureManager; |
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import ext.edu.ucsf.rbvi.strucviz2.StructureManager.ModelType; |
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import jalview.api.AlignmentViewPanel; |
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import jalview.bin.Console; |
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import jalview.datamodel.PDBEntry; |
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import jalview.datamodel.SearchResultMatchI; |
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import jalview.datamodel.SearchResultsI; |
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import jalview.datamodel.SequenceFeature; |
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import jalview.datamodel.SequenceI; |
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import jalview.gui.StructureViewer.ViewerType; |
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import jalview.httpserver.AbstractRequestHandler; |
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import jalview.io.DataSourceType; |
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import jalview.structure.AtomSpec; |
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import jalview.structure.AtomSpecModel; |
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import jalview.structure.StructureCommand; |
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import jalview.structure.StructureCommandI; |
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import jalview.structure.StructureSelectionManager; |
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import jalview.structures.models.AAStructureBindingModel; |
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| 0% |
Uncovered Elements: 310 (310) |
Complexity: 82 |
Complexity Density: 0.4 |
|
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public abstract class JalviewChimeraBinding extends AAStructureBindingModel |
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{ |
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public static final String CHIMERA_SESSION_EXTENSION = ".py"; |
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public static final String CHIMERA_FEATURE_GROUP = "Chimera"; |
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private ChimeraManager chimeraManager; |
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private AbstractRequestHandler chimeraListener; |
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protected Map<String, List<ChimeraModel>> chimeraMaps = new LinkedHashMap<>(); |
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String lastHighlightCommand; |
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@param |
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@return |
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| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
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protected AtomSpec parseAtomSpec(String atomSpec)... |
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{ |
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return AtomSpec.fromChimeraAtomspec(atomSpec); |
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} |
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@param |
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@return |
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| 0% |
Uncovered Elements: 25 (25) |
Complexity: 5 |
Complexity Density: 0.26 |
|
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public boolean openFile(PDBEntry pe)... |
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{ |
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String file = pe.getFile(); |
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try |
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{ |
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List<ChimeraModel> modelsToMap = new ArrayList<>(); |
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List<ChimeraModel> oldList = chimeraManager.getModelList(); |
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boolean alreadyOpen = false; |
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for (ChimeraModel open : oldList) |
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{ |
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if (open.getModelName().equals(pe.getId())) |
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{ |
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alreadyOpen = true; |
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modelsToMap.add(open); |
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} |
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} |
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if (!alreadyOpen) |
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{ |
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chimeraManager.openModel(file, pe.getId(), ModelType.PDB_MODEL); |
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addChimeraModel(pe, modelsToMap); |
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} |
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chimeraMaps.put(file, modelsToMap); |
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if (getSsm() != null) |
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{ |
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getSsm().addStructureViewerListener(this); |
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} |
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return true; |
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} catch (Exception q) |
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{ |
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log("Exception when trying to open model " + file + "\n" |
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+ q.toString()); |
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q.printStackTrace(); |
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} |
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return false; |
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} |
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@param |
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@param |
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| 0% |
Uncovered Elements: 6 (6) |
Complexity: 2 |
Complexity Density: 0.5 |
|
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protected void addChimeraModel(PDBEntry pe,... |
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List<ChimeraModel> modelsToMap) |
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{ |
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List<ChimeraModel> newList = chimeraManager.getModelList(); |
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for (ChimeraModel cm : newList) |
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{ |
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if (cm.getModelName().equals(pe.getId())) |
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{ |
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modelsToMap.add(cm); |
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} |
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} |
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} |
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@param |
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@param |
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@param |
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@param |
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| 0% |
Uncovered Elements: 8 (8) |
Complexity: 3 |
Complexity Density: 0.75 |
|
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public JalviewChimeraBinding(StructureSelectionManager ssm,... |
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PDBEntry[] pdbentry, SequenceI[][] sequenceIs, |
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DataSourceType protocol) |
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{ |
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super(ssm, pdbentry, sequenceIs, protocol); |
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boolean chimeraX = ViewerType.CHIMERAX.equals(getViewerType()); |
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chimeraManager = chimeraX |
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? new ChimeraXManager(new StructureManager(true)) |
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: new ChimeraManager(new StructureManager(true)); |
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setStructureCommands( |
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chimeraX ? new ChimeraXCommands() : new ChimeraCommands()); |
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} |
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| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
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@Override... |
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protected ViewerType getViewerType() |
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{ |
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return ViewerType.CHIMERA; |
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} |
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| 0% |
Uncovered Elements: 4 (4) |
Complexity: 2 |
Complexity Density: 0.5 |
|
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public void startChimeraListener()... |
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{ |
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try |
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{ |
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chimeraListener = new ChimeraListener(this); |
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startListening(chimeraListener.getUri()); |
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} catch (BindException e) |
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{ |
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jalview.bin.Console.errPrintln( |
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"Failed to start Chimera listener: " + e.getMessage()); |
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} |
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} |
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| 0% |
Uncovered Elements: 12 (12) |
Complexity: 4 |
Complexity Density: 0.5 |
|
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@Override... |
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public void closeViewer(boolean closeChimera) |
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{ |
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super.closeViewer(closeChimera); |
223 |
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if (this.chimeraListener != null) |
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{ |
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chimeraListener.shutdown(); |
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chimeraListener = null; |
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} |
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if (closeChimera && (getViewerType() == ViewerType.CHIMERA)) |
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{ |
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chimeraManager.getChimeraProcess().destroy(); |
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} |
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chimeraManager.clearOnChimeraExit(); |
240 |
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chimeraManager = null; |
241 |
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} |
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@param |
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@return |
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| 0% |
Uncovered Elements: 9 (9) |
Complexity: 4 |
Complexity Density: 0.8 |
|
256 |
0 |
protected String getModelSpec(int pdbfnum)... |
257 |
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{ |
258 |
0 |
if (pdbfnum < 0 || pdbfnum >= getPdbCount()) |
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{ |
260 |
0 |
return "#" + pdbfnum; |
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} |
262 |
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List<ChimeraModel> maps = chimeraMaps.get(getStructureFiles()[pdbfnum]); |
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boolean hasSubModels = maps != null && maps.size() > 1; |
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return "#" + String.valueOf(pdbfnum) + (hasSubModels ? ".1" : ""); |
272 |
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} |
273 |
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274 |
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275 |
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276 |
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277 |
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278 |
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279 |
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@return |
280 |
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| 0% |
Uncovered Elements: 11 (11) |
Complexity: 3 |
Complexity Density: 0.43 |
|
281 |
0 |
public boolean launchChimera()... |
282 |
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{ |
283 |
0 |
if (chimeraManager.isChimeraLaunched()) |
284 |
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{ |
285 |
0 |
return true; |
286 |
|
} |
287 |
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|
288 |
0 |
boolean launched = chimeraManager.launchChimera(getChimeraPaths()); |
289 |
0 |
if (launched) |
290 |
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{ |
291 |
0 |
startExternalViewerMonitor(chimeraManager.getChimeraProcess()); |
292 |
|
} |
293 |
|
else |
294 |
|
{ |
295 |
0 |
log("Failed to launch Chimera!"); |
296 |
|
} |
297 |
0 |
return launched; |
298 |
|
} |
299 |
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300 |
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301 |
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302 |
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303 |
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@return |
304 |
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| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
305 |
0 |
protected List<String> getChimeraPaths()... |
306 |
|
{ |
307 |
0 |
return StructureManager.getChimeraPaths(false); |
308 |
|
} |
309 |
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310 |
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311 |
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312 |
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|
313 |
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|
314 |
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@return |
315 |
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| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
316 |
0 |
@Override... |
317 |
|
public boolean isViewerRunning() |
318 |
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{ |
319 |
0 |
return chimeraManager != null && chimeraManager.isChimeraLaunched(); |
320 |
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} |
321 |
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322 |
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323 |
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324 |
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325 |
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@param |
326 |
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@param |
327 |
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| 0% |
Uncovered Elements: 20 (20) |
Complexity: 6 |
Complexity Density: 0.5 |
|
328 |
0 |
@Override... |
329 |
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public List<String> executeCommand(final StructureCommandI command, |
330 |
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boolean getResponse) |
331 |
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{ |
332 |
0 |
if (chimeraManager == null || command == null) |
333 |
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{ |
334 |
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|
335 |
0 |
return null; |
336 |
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} |
337 |
0 |
List<String> reply = null; |
338 |
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|
339 |
0 |
String cmd = command.getCommand().trim(); |
340 |
0 |
List<String> lastReply = chimeraManager.sendChimeraCommand(cmd, |
341 |
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getResponse); |
342 |
0 |
if (getResponse) |
343 |
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{ |
344 |
0 |
reply = lastReply; |
345 |
0 |
if (Console.isDebugEnabled()) |
346 |
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{ |
347 |
0 |
Console.debug( |
348 |
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"Response from command ('" + cmd + "') was:\n" + lastReply); |
349 |
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} |
350 |
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} |
351 |
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else |
352 |
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{ |
353 |
0 |
if (Console.isDebugEnabled()) |
354 |
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{ |
355 |
0 |
Console.debug("Command executed: " + cmd); |
356 |
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} |
357 |
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} |
358 |
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|
359 |
0 |
return reply; |
360 |
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} |
361 |
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| 0% |
Uncovered Elements: 5 (5) |
Complexity: 2 |
Complexity Density: 0.67 |
|
362 |
0 |
@Override... |
363 |
|
public synchronized String[] getStructureFiles() |
364 |
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{ |
365 |
0 |
if (chimeraManager == null) |
366 |
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{ |
367 |
0 |
return new String[0]; |
368 |
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} |
369 |
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|
370 |
0 |
return chimeraMaps.keySet() |
371 |
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.toArray(modelFileNames = new String[chimeraMaps.size()]); |
372 |
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} |
373 |
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374 |
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375 |
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376 |
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|
377 |
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|
378 |
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| 0% |
Uncovered Elements: 57 (57) |
Complexity: 15 |
Complexity Density: 0.43 |
|
379 |
0 |
@Override... |
380 |
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public void highlightAtoms(List<AtomSpec> atoms) |
381 |
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{ |
382 |
0 |
if (atoms == null || atoms.size() == 0) |
383 |
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{ |
384 |
0 |
return; |
385 |
|
} |
386 |
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|
387 |
0 |
boolean forChimeraX = chimeraManager.isChimeraX(); |
388 |
0 |
StringBuilder cmd = new StringBuilder(128); |
389 |
0 |
boolean first = true; |
390 |
0 |
boolean found = false; |
391 |
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|
392 |
0 |
for (AtomSpec atom : atoms) |
393 |
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{ |
394 |
0 |
int pdbResNum = atom.getPdbResNum(); |
395 |
0 |
String chain = atom.getChain(); |
396 |
0 |
String pdbfile = atom.getPdbFile(); |
397 |
0 |
List<ChimeraModel> cms = chimeraMaps.get(pdbfile); |
398 |
0 |
if (cms != null && !cms.isEmpty()) |
399 |
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{ |
400 |
0 |
if (first) |
401 |
|
{ |
402 |
0 |
cmd.append(forChimeraX ? "label #" : "rlabel #"); |
403 |
|
} |
404 |
|
else |
405 |
|
{ |
406 |
0 |
cmd.append(","); |
407 |
|
} |
408 |
0 |
first = false; |
409 |
0 |
if (forChimeraX) |
410 |
|
{ |
411 |
0 |
cmd.append(cms.get(0).getModelNumber()).append("/").append(chain) |
412 |
|
.append(":").append(pdbResNum); |
413 |
|
} |
414 |
|
else |
415 |
|
{ |
416 |
0 |
cmd.append(cms.get(0).getModelNumber()).append(":") |
417 |
|
.append(pdbResNum); |
418 |
0 |
if (!chain.equals(" ") && !forChimeraX) |
419 |
|
{ |
420 |
0 |
cmd.append(".").append(chain); |
421 |
|
} |
422 |
|
} |
423 |
0 |
found = true; |
424 |
|
} |
425 |
|
} |
426 |
0 |
String command = cmd.toString(); |
427 |
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|
428 |
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|
429 |
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|
430 |
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|
431 |
0 |
if (command.equals(lastHighlightCommand)) |
432 |
|
{ |
433 |
0 |
return; |
434 |
|
} |
435 |
0 |
if (!found) |
436 |
|
{ |
437 |
|
|
438 |
0 |
cmd.setLength(0); |
439 |
|
} |
440 |
|
|
441 |
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|
442 |
|
|
443 |
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|
444 |
0 |
if (lastHighlightCommand != null) |
445 |
|
{ |
446 |
0 |
cmd.insert(0, ";"); |
447 |
0 |
cmd.insert(0, lastHighlightCommand); |
448 |
0 |
cmd.insert(0, "~"); |
449 |
|
|
450 |
|
} |
451 |
0 |
if (cmd.length() > 0) |
452 |
|
{ |
453 |
0 |
executeCommand(true, null, new StructureCommand(cmd.toString())); |
454 |
|
} |
455 |
|
|
456 |
0 |
if (found) |
457 |
|
{ |
458 |
0 |
this.lastHighlightCommand = command; |
459 |
|
} |
460 |
|
} |
461 |
|
|
462 |
|
|
463 |
|
|
464 |
|
|
|
|
| 0% |
Uncovered Elements: 3 (3) |
Complexity: 1 |
Complexity Density: 0.33 |
|
465 |
0 |
public void highlightChimeraSelection()... |
466 |
|
{ |
467 |
|
|
468 |
|
|
469 |
|
|
470 |
0 |
StructureCommandI command = getCommandGenerator().getSelectedResidues(); |
471 |
|
|
472 |
0 |
Runnable action = new Runnable() |
473 |
|
{ |
|
|
| 0% |
Uncovered Elements: 13 (13) |
Complexity: 3 |
Complexity Density: 0.33 |
|
474 |
0 |
@Override... |
475 |
|
public void run() |
476 |
|
{ |
477 |
0 |
List<String> chimeraReply = executeCommand(command, true); |
478 |
|
|
479 |
0 |
List<String> selectedResidues = new ArrayList<>(); |
480 |
0 |
if (chimeraReply != null) |
481 |
|
{ |
482 |
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|
483 |
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|
484 |
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|
485 |
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|
486 |
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|
487 |
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|
488 |
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|
489 |
|
|
490 |
0 |
for (String inputLine : chimeraReply) |
491 |
|
{ |
492 |
0 |
String[] inputLineParts = inputLine.split("\\s+"); |
493 |
0 |
if (inputLineParts.length >= 5) |
494 |
|
{ |
495 |
0 |
selectedResidues.add(inputLineParts[2]); |
496 |
|
} |
497 |
|
} |
498 |
|
} |
499 |
|
|
500 |
|
|
501 |
|
|
502 |
|
|
503 |
|
|
504 |
0 |
List<AtomSpec> atomSpecs = convertStructureResiduesToAlignment( |
505 |
|
selectedResidues); |
506 |
|
|
507 |
|
|
508 |
|
|
509 |
|
|
510 |
|
|
511 |
0 |
getSsm().mouseOverStructure(atomSpecs); |
512 |
|
|
513 |
|
} |
514 |
|
}; |
515 |
0 |
new Thread(action).start(); |
516 |
|
} |
517 |
|
|
518 |
|
|
519 |
|
|
520 |
|
|
521 |
|
|
522 |
|
@param |
523 |
|
@return |
524 |
|
|
|
|
| 0% |
Uncovered Elements: 9 (9) |
Complexity: 2 |
Complexity Density: 0.22 |
|
525 |
0 |
protected List<AtomSpec> convertStructureResiduesToAlignment(... |
526 |
|
List<String> structureSelection) |
527 |
|
{ |
528 |
0 |
List<AtomSpec> atomSpecs = new ArrayList<>(); |
529 |
0 |
for (String atomSpec : structureSelection) |
530 |
|
{ |
531 |
0 |
try |
532 |
|
{ |
533 |
0 |
AtomSpec spec = parseAtomSpec(atomSpec); |
534 |
0 |
String pdbfilename = getPdbFileForModel(spec.getModelNumber()); |
535 |
0 |
spec.setPdbFile(pdbfilename); |
536 |
0 |
atomSpecs.add(spec); |
537 |
|
} catch (IllegalArgumentException e) |
538 |
|
{ |
539 |
0 |
Console.error("Failed to parse atomspec: " + atomSpec); |
540 |
|
} |
541 |
|
} |
542 |
0 |
return atomSpecs; |
543 |
|
} |
544 |
|
|
545 |
|
|
546 |
|
@param |
547 |
|
@return |
548 |
|
|
|
|
| 0% |
Uncovered Elements: 9 (9) |
Complexity: 2 |
Complexity Density: 0.29 |
|
549 |
0 |
protected String getPdbFileForModel(int modelId)... |
550 |
|
{ |
551 |
|
|
552 |
|
|
553 |
|
|
554 |
0 |
String pdbfilename = modelFileNames[0]; |
555 |
0 |
findfileloop: for (String pdbfile : this.chimeraMaps.keySet()) |
556 |
|
{ |
557 |
0 |
for (ChimeraModel cm : chimeraMaps.get(pdbfile)) |
558 |
|
{ |
559 |
0 |
if (cm.getModelNumber() == modelId) |
560 |
|
{ |
561 |
0 |
pdbfilename = pdbfile; |
562 |
0 |
break findfileloop; |
563 |
|
} |
564 |
|
} |
565 |
|
} |
566 |
0 |
return pdbfilename; |
567 |
|
} |
568 |
|
|
|
|
| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
569 |
0 |
private void log(String message)... |
570 |
|
{ |
571 |
0 |
jalview.bin.Console.errPrintln("## Chimera log: " + message); |
572 |
|
} |
573 |
|
|
574 |
|
|
575 |
|
|
576 |
|
|
577 |
|
|
578 |
|
|
579 |
|
|
580 |
|
|
581 |
|
|
582 |
|
@param |
583 |
|
@return |
584 |
|
|
|
|
| 0% |
Uncovered Elements: 8 (8) |
Complexity: 2 |
Complexity Density: 0.33 |
|
585 |
0 |
public int sendFeaturesToViewer(AlignmentViewPanel avp)... |
586 |
|
{ |
587 |
|
|
588 |
|
|
589 |
0 |
Map<String, Map<Object, AtomSpecModel>> featureValues = buildFeaturesMap( |
590 |
|
avp); |
591 |
0 |
List<StructureCommandI> commands = getCommandGenerator() |
592 |
|
.setAttributes(featureValues); |
593 |
0 |
if (commands.size() > 10) |
594 |
|
{ |
595 |
0 |
sendCommandsByFile(commands); |
596 |
|
} |
597 |
|
else |
598 |
|
{ |
599 |
0 |
executeCommands(commands, false, null); |
600 |
|
} |
601 |
0 |
return commands.size(); |
602 |
|
} |
603 |
|
|
604 |
|
|
605 |
|
|
606 |
|
|
607 |
|
|
608 |
|
|
609 |
|
@param |
610 |
|
|
|
|
| 0% |
Uncovered Elements: 12 (12) |
Complexity: 2 |
Complexity Density: 0.17 |
|
611 |
0 |
protected void sendCommandsByFile(List<StructureCommandI> commands)... |
612 |
|
{ |
613 |
0 |
try |
614 |
|
{ |
615 |
0 |
File tmp = File.createTempFile("chim", getCommandFileExtension()); |
616 |
0 |
tmp.deleteOnExit(); |
617 |
0 |
PrintWriter out = new PrintWriter(new FileOutputStream(tmp)); |
618 |
0 |
for (StructureCommandI command : commands) |
619 |
|
{ |
620 |
0 |
out.println(command.getCommand()); |
621 |
|
} |
622 |
0 |
out.flush(); |
623 |
0 |
out.close(); |
624 |
0 |
String path = tmp.getAbsolutePath(); |
625 |
0 |
StructureCommandI command = getCommandGenerator() |
626 |
|
.openCommandFile(path); |
627 |
0 |
executeCommand(false, null, command); |
628 |
|
} catch (IOException e) |
629 |
|
{ |
630 |
0 |
jalview.bin.Console.errPrintln( |
631 |
|
"Sending commands to Chimera via file failed with " |
632 |
|
+ e.getMessage()); |
633 |
|
} |
634 |
|
} |
635 |
|
|
636 |
|
|
637 |
|
|
638 |
|
|
639 |
|
|
640 |
|
@return |
641 |
|
|
|
|
| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
642 |
0 |
protected String getCommandFileExtension()... |
643 |
|
{ |
644 |
0 |
return ".com"; |
645 |
|
} |
646 |
|
|
647 |
|
|
648 |
|
|
649 |
|
|
650 |
|
|
651 |
|
|
652 |
|
|
653 |
|
|
654 |
|
|
655 |
|
|
656 |
|
|
657 |
|
|
658 |
|
@param |
659 |
|
@param |
660 |
|
@return |
661 |
|
|
|
|
| 0% |
Uncovered Elements: 39 (39) |
Complexity: 7 |
Complexity Density: 0.21 |
|
662 |
0 |
protected int createFeaturesForAttributes(String attName,... |
663 |
|
List<String> residues) |
664 |
|
{ |
665 |
0 |
int featuresAdded = 0; |
666 |
0 |
String featureGroup = getViewerFeatureGroup(); |
667 |
|
|
668 |
0 |
for (String residue : residues) |
669 |
|
{ |
670 |
0 |
AtomSpec spec = null; |
671 |
0 |
String[] tokens = residue.split(" "); |
672 |
0 |
if (tokens.length < 5) |
673 |
|
{ |
674 |
0 |
continue; |
675 |
|
} |
676 |
0 |
String atomSpec = tokens[2]; |
677 |
0 |
String attValue = tokens[4]; |
678 |
|
|
679 |
|
|
680 |
|
|
681 |
|
|
682 |
0 |
if ("None".equalsIgnoreCase(attValue) |
683 |
|
|| "False".equalsIgnoreCase(attValue)) |
684 |
|
{ |
685 |
0 |
continue; |
686 |
|
} |
687 |
|
|
688 |
0 |
try |
689 |
|
{ |
690 |
0 |
spec = parseAtomSpec(atomSpec); |
691 |
|
} catch (IllegalArgumentException e) |
692 |
|
{ |
693 |
0 |
Console.error("Problem parsing atomspec " + atomSpec); |
694 |
0 |
continue; |
695 |
|
} |
696 |
|
|
697 |
0 |
String chainId = spec.getChain(); |
698 |
0 |
String description = attValue; |
699 |
0 |
float score = Float.NaN; |
700 |
0 |
try |
701 |
|
{ |
702 |
0 |
score = Float.valueOf(attValue); |
703 |
0 |
description = chainId; |
704 |
|
} catch (NumberFormatException e) |
705 |
|
{ |
706 |
|
|
707 |
|
} |
708 |
|
|
709 |
0 |
String pdbFile = getPdbFileForModel(spec.getModelNumber()); |
710 |
0 |
spec.setPdbFile(pdbFile); |
711 |
|
|
712 |
0 |
List<AtomSpec> atoms = Collections.singletonList(spec); |
713 |
|
|
714 |
|
|
715 |
|
|
716 |
|
|
717 |
0 |
SearchResultsI sr = getSsm() |
718 |
|
.findAlignmentPositionsForStructurePositions(atoms); |
719 |
|
|
720 |
|
|
721 |
|
|
722 |
|
|
723 |
|
|
724 |
0 |
for (SearchResultMatchI m : sr.getResults()) |
725 |
|
{ |
726 |
0 |
SequenceI seq = m.getSequence(); |
727 |
0 |
int start = m.getStart(); |
728 |
0 |
int end = m.getEnd(); |
729 |
0 |
SequenceFeature sf = new SequenceFeature(attName, description, |
730 |
|
start, end, score, featureGroup); |
731 |
|
|
732 |
|
|
733 |
0 |
if (seq.addSequenceFeature(sf)) |
734 |
|
{ |
735 |
0 |
featuresAdded++; |
736 |
|
} |
737 |
|
} |
738 |
|
} |
739 |
0 |
return featuresAdded; |
740 |
|
} |
741 |
|
|
742 |
|
|
743 |
|
|
744 |
|
|
745 |
|
|
746 |
|
@return |
747 |
|
|
|
|
| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
748 |
0 |
protected String getViewerFeatureGroup()... |
749 |
|
{ |
750 |
|
|
751 |
0 |
return CHIMERA_FEATURE_GROUP; |
752 |
|
} |
753 |
|
|
|
|
| 0% |
Uncovered Elements: 6 (6) |
Complexity: 3 |
Complexity Density: 0.75 |
|
754 |
0 |
@Override... |
755 |
|
public String getModelIdForFile(String pdbFile) |
756 |
|
{ |
757 |
0 |
List<ChimeraModel> foundModels = chimeraMaps.get(pdbFile); |
758 |
0 |
if (foundModels != null && !foundModels.isEmpty()) |
759 |
|
{ |
760 |
0 |
return String.valueOf(foundModels.get(0).getModelNumber()); |
761 |
|
} |
762 |
0 |
return ""; |
763 |
|
} |
764 |
|
|
765 |
|
|
766 |
|
|
767 |
|
|
768 |
|
|
769 |
|
@return |
770 |
|
|
|
|
| 0% |
Uncovered Elements: 17 (17) |
Complexity: 5 |
Complexity Density: 0.45 |
|
771 |
0 |
public List<String> getChimeraAttributes()... |
772 |
|
{ |
773 |
0 |
List<String> attributes = new ArrayList<>(); |
774 |
0 |
StructureCommandI command = getCommandGenerator() |
775 |
|
.listResidueAttributes(); |
776 |
0 |
final List<String> reply = executeCommand(command, true); |
777 |
0 |
if (reply != null) |
778 |
|
{ |
779 |
0 |
for (String inputLine : reply) |
780 |
|
{ |
781 |
0 |
String[] lineParts = inputLine.split("\\s"); |
782 |
0 |
if (lineParts.length == 2 && lineParts[0].equals("resattr")) |
783 |
|
{ |
784 |
0 |
String attName = lineParts[1]; |
785 |
|
|
786 |
|
|
787 |
|
|
788 |
0 |
if (!attName.startsWith(ChimeraCommands.NAMESPACE_PREFIX)) |
789 |
|
{ |
790 |
0 |
attributes.add(attName); |
791 |
|
} |
792 |
|
} |
793 |
|
} |
794 |
|
} |
795 |
0 |
return attributes; |
796 |
|
} |
797 |
|
|
798 |
|
|
799 |
|
|
800 |
|
|
801 |
|
@return |
802 |
|
|
|
|
| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
803 |
0 |
@Override... |
804 |
|
public String getSessionFileExtension() |
805 |
|
{ |
806 |
0 |
return CHIMERA_SESSION_EXTENSION; |
807 |
|
} |
808 |
|
|
|
|
| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
809 |
0 |
@Override... |
810 |
|
public String getHelpURL() |
811 |
|
{ |
812 |
0 |
return "https://www.cgl.ucsf.edu/chimera/docs/UsersGuide"; |
813 |
|
} |
814 |
|
} |