action.merge_results = Merge Results
action.load_scheme = Load scheme
action.save_scheme = Save scheme
+label.scheme_changed = Changes to scheme ''{0}'' have not been saved.<br><br>Save changes, or continue without saving to make a new colour scheme.
+label.save_changes = Save Changes
+label.dont_save_changes = Don't Save
action.save_image = Save Image
action.paste = Paste
action.show_html_source = Show HTML Source
action.show_hidden_markers = Show Hidden Markers
action.find = Find
action.undefine_groups = Undefine Groups
-action.create_groups = Create Groups
action.make_groups_selection = Make Groups For Selection
action.copy = Copy
action.cut = Cut
label.edit_name_and_description_current_group = Edit name and description of current group
label.from_file = From File
label.enter_pdb_id = Enter PDB Id (or pdbid:chaincode)
-label.text_colour = Text Colour
-action.set_text_colour = Text Colour...
+label.text_colour = Text Colour...
label.structure = Structure
label.show_pdbstruct_dialog = 3D Structure Data...
label.view_rna_structure = VARNA 2D Structure
warn.name_cannot_be_duplicate = User-defined URL names must be unique and cannot be MIRIAM ids
label.invalid_name = Invalid Name !
label.output_seq_details = Output Sequence Details to list all database references
+ <<<<<<< HEAD
+ label.phyre2_model_prediction = 3D Protein Model prediction with Phyre2
+ label.run_phyre2_prediction = Run Phyre2 Prediction
+ status.obtaining_mapping_with_phyre2_template_alignment = Obtaining mapping with Phyre2 Template alignment
+ =======
label.urllinks = Links
+ >>>>>>> develop
import jalview.datamodel.SequenceI;
import jalview.io.DataSourceType;
import jalview.io.StructureFile;
+import jalview.renderer.seqfeatures.FeatureColourFinder;
import jalview.structure.AtomSpec;
import jalview.structure.StructureListener;
import jalview.structure.StructureMapping;
try
{
- pdb = ssm.setMapping(seq, chains, pdbentry.getFile(), protocol);
+ pdb = ssm.setMapping(seq, chains, pdbentry.getFile(), protocol, null);
if (protocol == DataSourceType.PASTE)
{
showFeatures = true;
}
+ FeatureColourFinder finder = new FeatureColourFinder(fr);
+
PDBChain chain;
if (bysequence && pdb != null)
{
if (pos > 0)
{
pos = sequence[s].findIndex(pos);
- tmp.startCol = sr.getResidueBoxColour(sequence[s], pos);
- if (showFeatures)
- {
- tmp.startCol = fr.findFeatureColour(tmp.startCol,
- sequence[s], pos);
- }
+ tmp.startCol = sr.getResidueColour(sequence[s], pos,
+ finder);
}
pos = mapping[m].getSeqPos(tmp.at2.resNumber) - 1;
if (pos > 0)
{
pos = sequence[s].findIndex(pos);
- tmp.endCol = sr.getResidueBoxColour(sequence[s], pos);
- if (showFeatures)
- {
- tmp.endCol = fr.findFeatureColour(tmp.endCol,
- sequence[s], pos);
- }
+ tmp.endCol = sr
+ .getResidueColour(sequence[s], pos, finder);
}
-
}
}
}
// ////////////////////////////////
// /StructureListener
@Override
- public String[] getPdbFile()
+ public String[] getStructureFiles()
{
return new String[] { pdbentry.getFile() };
}
import jalview.gui.SequenceRenderer;
import jalview.io.DataSourceType;
import jalview.io.StructureFile;
+import jalview.renderer.seqfeatures.FeatureColourFinder;
import jalview.structure.AtomSpec;
import jalview.structure.StructureListener;
import jalview.structure.StructureMapping;
try
{
- pdb = ssm.setMapping(seq, chains, pdbentry.getFile(), protocol);
+ pdb = ssm.setMapping(seq, chains, pdbentry.getFile(), protocol,
+ ap.alignFrame);
if (protocol.equals(jalview.io.DataSourceType.PASTE))
{
showFeatures = true;
}
+ FeatureColourFinder finder = new FeatureColourFinder(fr);
PDBChain chain;
if (bysequence && pdb != null)
{
if (pos > 0)
{
pos = sequence[s].findIndex(pos);
- tmp.startCol = sr.getResidueBoxColour(sequence[s], pos);
- if (showFeatures)
- {
- tmp.startCol = fr.findFeatureColour(tmp.startCol,
- sequence[s], pos);
- }
+ tmp.startCol = sr.getResidueColour(sequence[s], pos,
+ finder);
}
pos = mapping[m].getSeqPos(tmp.at2.resNumber) - 1;
if (pos > 0)
{
pos = sequence[s].findIndex(pos);
- tmp.endCol = sr.getResidueBoxColour(sequence[s], pos);
- if (showFeatures)
- {
- tmp.endCol = fr.findFeatureColour(tmp.endCol,
- sequence[s], pos);
- }
+ tmp.endCol = sr
+ .getResidueColour(sequence[s], pos, finder);
}
}
// ////////////////////////////////
// /StructureListener
@Override
- public String[] getPdbFile()
+ public String[] getStructureFiles()
{
return new String[] { pdbentry.getFile() };
}
import jalview.util.MappingUtils;
import jalview.util.MessageManager;
import jalview.viewmodel.AlignmentViewport;
+import jalview.viewmodel.ViewportRanges;
import java.awt.BorderLayout;
import java.awt.Canvas;
@Override
public void keyPressed(KeyEvent evt)
{
+ ViewportRanges ranges = viewport.getRanges();
+
if (viewport.cursorMode
&& ((evt.getKeyCode() >= KeyEvent.VK_0 && evt.getKeyCode() <= KeyEvent.VK_9) || (evt
.getKeyCode() >= KeyEvent.VK_NUMPAD0 && evt
new String[] { (viewport.cursorMode ? "on" : "off") }));
if (viewport.cursorMode)
{
- alignPanel.seqPanel.seqCanvas.cursorX = viewport.startRes;
- alignPanel.seqPanel.seqCanvas.cursorY = viewport.startSeq;
+ alignPanel.seqPanel.seqCanvas.cursorX = ranges.getStartRes();
+ alignPanel.seqPanel.seqCanvas.cursorY = ranges.getStartSeq();
}
break;
}
else
{
- alignPanel.setScrollValues(viewport.startRes, viewport.startSeq
- - viewport.endSeq + viewport.startSeq);
+ alignPanel.setScrollValues(ranges.getStartRes(),
+ 2 * ranges.getStartSeq() - ranges.getEndSeq());
}
break;
}
else
{
- alignPanel.setScrollValues(viewport.startRes, viewport.startSeq
- + viewport.endSeq - viewport.startSeq);
+ alignPanel
+ .setScrollValues(ranges.getStartRes(), ranges.getEndSeq());
}
break;
{
delete_actionPerformed();
}
+ else if (source == createGroup)
+ {
+ createGroup_actionPerformed();
+ }
+ else if (source == unGroup)
+ {
+ unGroup_actionPerformed();
+ }
else if (source == grpsFromSelection)
{
makeGrpsFromSelection_actionPerformed();
seqs, 0, viewport.getAlignment().getWidth(),
viewport.getAlignment()));
- viewport.setEndSeq(viewport.getAlignment().getHeight());
+ viewport.getRanges().setEndSeq(viewport.getAlignment().getHeight());
viewport.getAlignment().getWidth();
viewport.firePropertyChange("alignment", null, viewport.getAlignment()
.getSequences());
void trimAlignment(boolean trimLeft)
{
+ AlignmentI al = viewport.getAlignment();
+ ViewportRanges ranges = viewport.getRanges();
ColumnSelection colSel = viewport.getColumnSelection();
int column;
}
else
{
- seqs = viewport.getAlignment().getSequencesArray();
+ seqs = al.getSequencesArray();
}
TrimRegionCommand trimRegion;
if (trimLeft)
{
trimRegion = new TrimRegionCommand("Remove Left", true, seqs,
- column, viewport.getAlignment());
- viewport.setStartRes(0);
+ column, al);
+ ranges.setStartRes(0);
}
else
{
trimRegion = new TrimRegionCommand("Remove Right", false, seqs,
- column, viewport.getAlignment());
+ column, al);
}
statusBar.setText(MessageManager.formatMessage(
.toString() }));
addHistoryItem(trimRegion);
- for (SequenceGroup sg : viewport.getAlignment().getGroups())
+ for (SequenceGroup sg : al.getGroups())
{
if ((trimLeft && !sg.adjustForRemoveLeft(column))
|| (!trimLeft && !sg.adjustForRemoveRight(column)))
{
- viewport.getAlignment().deleteGroup(sg);
+ al.deleteGroup(sg);
}
}
- viewport.firePropertyChange("alignment", null, viewport
- .getAlignment().getSequences());
+ viewport.firePropertyChange("alignment", null, al.getSequences());
}
}
public void removeGappedColumnMenuItem_actionPerformed()
{
- int start = 0, end = viewport.getAlignment().getWidth() - 1;
+ AlignmentI al = viewport.getAlignment();
+ ViewportRanges ranges = viewport.getRanges();
+ int start = 0;
+ int end = ranges.getAbsoluteAlignmentWidth() - 1;
SequenceI[] seqs;
if (viewport.getSelectionGroup() != null)
// This is to maintain viewport position on first residue
// of first sequence
- SequenceI seq = viewport.getAlignment().getSequenceAt(0);
- int startRes = seq.findPosition(viewport.startRes);
+ SequenceI seq = al.getSequenceAt(0);
+ int startRes = seq.findPosition(ranges.getStartRes());
// ShiftList shifts;
// viewport.getAlignment().removeGaps(shifts=new ShiftList());
// edit.alColumnChanges=shifts.getInverse();
// if (viewport.hasHiddenColumns)
// viewport.getColumnSelection().compensateForEdits(shifts);
- viewport.setStartRes(seq.findIndex(startRes) - 1);
- viewport.firePropertyChange("alignment", null, viewport.getAlignment()
- .getSequences());
+ ranges.setStartRes(seq.findIndex(startRes) - 1);
+ viewport.firePropertyChange("alignment", null, al.getSequences());
}
public void removeAllGapsMenuItem_actionPerformed()
{
- int start = 0, end = viewport.getAlignment().getWidth() - 1;
+ AlignmentI al = viewport.getAlignment();
+ ViewportRanges ranges = viewport.getRanges();
+ int start = 0;
+ int end = ranges.getAbsoluteAlignmentWidth() - 1;
SequenceI[] seqs;
if (viewport.getSelectionGroup() != null)
// This is to maintain viewport position on first residue
// of first sequence
- SequenceI seq = viewport.getAlignment().getSequenceAt(0);
- int startRes = seq.findPosition(viewport.startRes);
+ SequenceI seq = al.getSequenceAt(0);
+ int startRes = seq.findPosition(ranges.getStartRes());
addHistoryItem(new RemoveGapsCommand("Remove Gaps", seqs, start, end,
- viewport.getAlignment()));
+ al));
- viewport.setStartRes(seq.findIndex(startRes) - 1);
+ ranges.setStartRes(seq.findIndex(startRes) - 1);
- viewport.firePropertyChange("alignment", null, viewport.getAlignment()
- .getSequences());
+ viewport.firePropertyChange("alignment", null, al.getSequences());
}
boolean selected = conservationMenuItem.getState();
modifyConservation.setEnabled(selected);
viewport.setConservationSelected(selected);
-
- // viewport.setAbovePIDThreshold(false);
- // abovePIDThreshold.setState(false);
+ viewport.getResidueShading().setConservationApplied(selected);
changeColour(viewport.getGlobalColourScheme());
boolean selected = abovePIDThreshold.getState();
modifyPID.setEnabled(selected);
viewport.setAbovePIDThreshold(selected);
- // conservationMenuItem.setState(false);
- // viewport.setConservationSelected(false);
+ if (!selected)
+ {
+ viewport.getResidueShading().setThreshold(0,
+ viewport.isIgnoreGapsConsensus());
+ }
changeColour(viewport.getGlobalColourScheme());
.getString("action.make_groups_selection"));
grpsFromSelection.addActionListener(this);
createGroup.setLabel(MessageManager.getString("action.create_group"));
+ createGroup.addActionListener(this);
unGroup.setLabel(MessageManager.getString("action.remove_group"));
+ unGroup.addActionListener(this);
+
annotationColumnSelection.setLabel(MessageManager
.getString("action.select_by_annotation"));
annotationColumnSelection.addActionListener(this);
{
// register the association(s) and quit, don't create any windows.
if (StructureSelectionManager.getStructureSelectionManager(applet)
- .setMapping(seqs, chains, pdb.getFile(), protocol) == null)
+ .setMapping(seqs, chains, pdb.getFile(), protocol, null) == null)
{
System.err.println("Failed to map " + pdb.getFile() + " ("
+ protocol + ") to any sequences");
import jalview.datamodel.PDBEntry;
import jalview.datamodel.SequenceI;
import jalview.ext.jmol.JalviewJmolBinding;
+ import jalview.gui.IProgressIndicator;
import jalview.io.DataSourceType;
import jalview.structure.StructureSelectionManager;
public jalview.api.FeatureRenderer getFeatureRenderer(
AlignmentViewPanel alignment)
{
- AlignmentPanel ap = (AlignmentPanel) alignment;
- if (appletJmolBinding.ap.av.isShowSequenceFeatures())
- {
- if (appletJmolBinding.fr == null)
- {
- appletJmolBinding.fr = new jalview.appletgui.FeatureRenderer(
- appletJmolBinding.ap.av);
- }
-
- appletJmolBinding.fr
- .transferSettings(appletJmolBinding.ap.seqPanel.seqCanvas
- .getFeatureRenderer());
- }
-
- return appletJmolBinding.fr;
+ return appletJmolBinding.ap.getFeatureRenderer();
}
@Override
// TODO Auto-generated method stub
return null;
}
+
+ @Override
+ protected IProgressIndicator getIProgressIndicator()
+ {
+ // no progress indicators on the applet
+ return null;
+ }
}
import jalview.datamodel.PDBEntry;
import jalview.datamodel.SequenceI;
import jalview.ext.jmol.JalviewJmolBinding;
+ import jalview.gui.IProgressIndicator;
import jalview.io.DataSourceType;
import java.awt.Container;
}
@Override
+ protected IProgressIndicator getIProgressIndicator()
+ {
+ // no progress indicators on applet (could access javascript for this)
+ return null;
+ }
+
+ @Override
public void updateColours(Object source)
{
@Override
public FeatureRenderer getFeatureRenderer(AlignmentViewPanel alignment)
{
- AlignmentPanel ap = (AlignmentPanel) alignment;
- if (ap.av.isShowSequenceFeatures())
+ AlignmentPanel alignPanel = (AlignmentPanel) alignment;
+ if (alignPanel.av.isShowSequenceFeatures())
{
- return ap.getFeatureRenderer();
+ return alignPanel.getFeatureRenderer();
}
else
{
}
}
+
@Override
public SequenceRenderer getSequenceRenderer(AlignmentViewPanel alignment)
{
*/
package jalview.ext.jmol;
-import jalview.api.AlignViewportI;
+import jalview.api.AlignmentViewPanel;
import jalview.api.FeatureRenderer;
import jalview.api.SequenceRenderer;
import jalview.datamodel.AlignmentI;
import jalview.datamodel.ColumnSelection;
import jalview.datamodel.PDBEntry;
import jalview.datamodel.SequenceI;
+ import jalview.gui.IProgressIndicator;
import jalview.io.DataSourceType;
import jalview.io.StructureFile;
import jalview.schemes.ColourSchemeI;
public void closeViewer()
{
// remove listeners for all structures in viewer
- getSsm().removeStructureViewerListener(this, this.getPdbFile());
+ getSsm().removeStructureViewerListener(this, this.getStructureFiles());
viewer.dispose();
lastCommand = null;
viewer = null;
* get the distinct structure files modelled
* (a file with multiple chains may map to multiple sequences)
*/
- String[] files = getPdbFile();
+ String[] files = getStructureFiles();
if (!waitForFileLoad(files))
{
return null;
/**
* @param files
* @param sr
- * @param fr
- * @param viewport
+ * @param viewPanel
* @return
*/
@Override
protected StructureMappingcommandSet[] getColourBySequenceCommands(
- String[] files, SequenceRenderer sr, FeatureRenderer fr,
- AlignViewportI viewport)
+ String[] files, SequenceRenderer sr, AlignmentViewPanel viewPanel)
{
return JmolCommands.getColourBySequenceCommand(getSsm(), files,
- getSequence(), sr, fr, viewport);
+ getSequence(), sr, viewPanel);
}
/**
private int getModelNum(String modelFileName)
{
- String[] mfn = getPdbFile();
+ String[] mfn = getStructureFiles();
if (mfn == null)
{
return -1;
// ////////////////////////////////
// /StructureListener
- @Override
- public synchronized String[] getPdbFile()
+ // @Override
+ public synchronized String[] getPdbFilex()
{
if (viewer == null)
{
return modelFileNames;
}
+ @Override
+ public synchronized String[] getStructureFiles()
+ {
+ List<String> mset = new ArrayList<String>();
+ if (viewer == null)
+ {
+ return new String[0];
+ }
+
+ if (modelFileNames == null)
+ {
+ int modelCount = viewer.ms.mc;
+ String filePath = null;
+ for (int i = 0; i < modelCount; ++i)
+ {
+ filePath = viewer.ms.getModelFileName(i);
+ if (!mset.contains(filePath))
+ {
+ mset.add(filePath);
+ }
+ }
+ modelFileNames = mset.toArray(new String[mset.size()]);
+ }
+
+ return modelFileNames;
+ }
/**
* map from string to applet
*/
chainNames = new ArrayList<String>();
chainFile = new Hashtable<String, String>();
boolean notifyLoaded = false;
- String[] modelfilenames = getPdbFile();
+ String[] modelfilenames = getStructureFiles();
// first check if we've lost any structures
if (oldmodels != null && oldmodels.length > 0)
{
// see JAL-623 - need method of matching pasted data up
{
pdb = getSsm().setMapping(getSequence()[pe], getChains()[pe],
- pdbfile, DataSourceType.PASTE);
+ pdbfile, DataSourceType.PASTE, getIProgressIndicator());
getPdbEntry(modelnum).setFile("INLINE" + pdb.getId());
matches = true;
foundEntry = true;
}
// Explicitly map to the filename used by Jmol ;
pdb = getSsm().setMapping(getSequence()[pe], getChains()[pe],
- fileName, protocol);
+ fileName, protocol, getIProgressIndicator());
// pdbentry[pe].getFile(), protocol);
}
return chainNames;
}
+ protected abstract IProgressIndicator getIProgressIndicator();
+
public void notifyNewPickingModeMeasurement(int iatom, String strMeasure)
{
notifyAtomPicked(iatom, strMeasure, null);
package jalview.ext.jmol;
import jalview.api.AlignViewportI;
+import jalview.api.AlignmentViewPanel;
import jalview.api.FeatureRenderer;
import jalview.api.SequenceRenderer;
import jalview.datamodel.AlignmentI;
import jalview.datamodel.ColumnSelection;
import jalview.datamodel.SequenceI;
+import jalview.renderer.seqfeatures.FeatureColourFinder;
import jalview.structure.StructureMapping;
import jalview.structure.StructureMappingcommandSet;
import jalview.structure.StructureSelectionManager;
*/
public static StructureMappingcommandSet[] getColourBySequenceCommand(
StructureSelectionManager ssm, String[] files,
- SequenceI[][] sequence, SequenceRenderer sr, FeatureRenderer fr,
- AlignViewportI viewport)
+ SequenceI[][] sequence, SequenceRenderer sr,
+ AlignmentViewPanel viewPanel)
{
+ FeatureRenderer fr = viewPanel.getFeatureRenderer();
+ FeatureColourFinder finder = new FeatureColourFinder(fr);
+ AlignViewportI viewport = viewPanel.getAlignViewport();
ColumnSelection cs = viewport.getColumnSelection();
AlignmentI al = viewport.getAlignment();
List<StructureMappingcommandSet> cset = new ArrayList<StructureMappingcommandSet>();
lastPos = pos;
- Color col = sr.getResidueBoxColour(sequence[pdbfnum][s], r);
-
- if (fr != null)
- {
- col = fr.findFeatureColour(col, sequence[pdbfnum][s], r);
- }
+ Color col = sr.getResidueColour(sequence[pdbfnum][s], r,
+ finder);
/*
* shade hidden regions darker
*/
if (!cs.isVisible(r))
{
col = Color.GRAY;
}
- String newSelcom = (mapping[m].getChain() != " " ? ":"
- + mapping[m].getChain() : "")
+ String newSelcom = ":" + mapping[m].getChain()
+ "/"
+ (pdbfnum + 1)
+ ".1"
*/
package jalview.ext.rbvi.chimera;
-import jalview.api.AlignViewportI;
import jalview.api.AlignmentViewPanel;
-import jalview.api.FeatureRenderer;
import jalview.api.SequenceRenderer;
import jalview.api.structures.JalviewStructureDisplayI;
import jalview.bin.Cache;
if (getSsm() != null)
{
getSsm().addStructureViewerListener(this);
- // ssm.addSelectionListener(this);
- FeatureRenderer fr = getFeatureRenderer(null);
- if (fr != null)
- {
- fr.featuresAdded();
- }
- refreshGUI();
}
return true;
} catch (Exception q)
*/
public void closeViewer(boolean closeChimera)
{
- getSsm().removeStructureViewerListener(this, this.getPdbFile());
+ getSsm().removeStructureViewerListener(this, this.getStructureFiles());
if (closeChimera)
{
viewer.exitChimera();
int[] _refStructure, ColumnSelection[] _hiddenCols)
{
StringBuilder allComs = new StringBuilder(128);
- String[] files = getPdbFile();
+ String[] files = getStructureFiles();
if (!waitForFileLoad(files))
{
* to the Chimera command 'list models type molecule', see
* ChimeraManager.getModelList().
*/
- List<ChimeraModel> maps = chimeraMaps.get(getPdbFile()[pdbfnum]);
+ List<ChimeraModel> maps = chimeraMaps.get(getStructureFiles()[pdbfnum]);
boolean hasSubModels = maps != null && maps.size() > 1;
return "#" + String.valueOf(pdbfnum) + (hasSubModels ? ".1" : "");
}
/**
* @param files
* @param sr
- * @param fr
- * @param viewport
+ * @param viewPanel
* @return
*/
@Override
protected StructureMappingcommandSet[] getColourBySequenceCommands(
- String[] files, SequenceRenderer sr, FeatureRenderer fr,
- AlignViewportI viewport)
+ String[] files, SequenceRenderer sr, AlignmentViewPanel viewPanel)
{
return ChimeraCommands.getColourBySequenceCommand(getSsm(), files,
- getSequence(), sr, fr, viewport);
+ getSequence(), sr, viewPanel);
}
/**
// ////////////////////////////////
// /StructureListener
@Override
- public synchronized String[] getPdbFile()
+ public synchronized String[] getStructureFiles()
{
if (viewer == null)
{
{
// TODO refactor as required to pull up to an interface
AlignmentI alignment = avp.getAlignment();
- FeatureRenderer fr = getFeatureRenderer(avp);
-
- /*
- * fr is null if feature display is turned off
- */
- if (fr == null)
- {
- return 0;
- }
- String[] files = getPdbFile();
+ String[] files = getStructureFiles();
if (files == null)
{
return 0;
StructureMappingcommandSet commandSet = ChimeraCommands
.getSetAttributeCommandsForFeatures(getSsm(), files,
- getSequence(), fr, alignment);
+ getSequence(), avp);
String[] commands = commandSet.commands;
if (commands.length > 10)
{
import jalview.schemes.TCoffeeColourScheme;
import jalview.util.MessageManager;
import jalview.viewmodel.AlignmentViewport;
+import jalview.viewmodel.ViewportRanges;
import jalview.ws.DBRefFetcher;
import jalview.ws.DBRefFetcher.FetchFinishedListenerI;
import jalview.ws.jws1.Discoverer;
AlignViewport viewport;
+ ViewportRanges vpRanges;
+
public AlignViewControllerI avc;
List<AlignmentPanel> alignPanels = new ArrayList<AlignmentPanel>();
progressBar = new ProgressBar(this.statusPanel, this.statusBar);
}
+ vpRanges = viewport.getRanges();
avc = new jalview.controller.AlignViewController(this, viewport,
alignPanel);
if (viewport.getAlignmentConservationAnnotation() == null)
new String[] { (viewport.cursorMode ? "on" : "off") }));
if (viewport.cursorMode)
{
- alignPanel.getSeqPanel().seqCanvas.cursorX = viewport.startRes;
- alignPanel.getSeqPanel().seqCanvas.cursorY = viewport.startSeq;
+ alignPanel.getSeqPanel().seqCanvas.cursorX = vpRanges
+ .getStartRes();
+ alignPanel.getSeqPanel().seqCanvas.cursorY = vpRanges
+ .getStartSeq();
}
alignPanel.getSeqPanel().seqCanvas.repaint();
break;
}
else
{
- alignPanel.setScrollValues(viewport.startRes, viewport.startSeq
- - viewport.endSeq + viewport.startSeq);
+ alignPanel.setScrollValues(vpRanges.getStartRes(),
+ 2 * vpRanges.getStartSeq() - vpRanges.getEndSeq());
}
break;
case KeyEvent.VK_PAGE_DOWN:
}
else
{
- alignPanel.setScrollValues(viewport.startRes, viewport.startSeq
- + viewport.endSeq - viewport.startSeq);
+ alignPanel.setScrollValues(vpRanges.getStartRes(),
+ vpRanges.getEndSeq());
}
break;
}
{
// propagate alignment changed.
- viewport.setEndSeq(alignment.getHeight());
+ vpRanges.setEndSeq(alignment.getHeight());
if (annotationAdded)
{
// Duplicate sequence annotation in all views.
{
trimRegion = new TrimRegionCommand("Remove Left", true, seqs,
column, viewport.getAlignment());
- viewport.setStartRes(0);
+ vpRanges.setStartRes(0);
}
else
{
// This is to maintain viewport position on first residue
// of first sequence
SequenceI seq = viewport.getAlignment().getSequenceAt(0);
- int startRes = seq.findPosition(viewport.startRes);
+ int startRes = seq.findPosition(vpRanges.getStartRes());
// ShiftList shifts;
// viewport.getAlignment().removeGaps(shifts=new ShiftList());
// edit.alColumnChanges=shifts.getInverse();
// if (viewport.hasHiddenColumns)
// viewport.getColumnSelection().compensateForEdits(shifts);
- viewport.setStartRes(seq.findIndex(startRes) - 1);
+ vpRanges.setStartRes(seq.findIndex(startRes) - 1);
viewport.firePropertyChange("alignment", null, viewport.getAlignment()
.getSequences());
// This is to maintain viewport position on first residue
// of first sequence
SequenceI seq = viewport.getAlignment().getSequenceAt(0);
- int startRes = seq.findPosition(viewport.startRes);
+ int startRes = seq.findPosition(vpRanges.getStartRes());
addHistoryItem(new RemoveGapsCommand("Remove Gaps", seqs, start, end,
viewport.getAlignment()));
- viewport.setStartRes(seq.findIndex(startRes) - 1);
+ vpRanges.setStartRes(seq.findIndex(startRes) - 1);
viewport.firePropertyChange("alignment", null, viewport.getAlignment()
.getSequences());
*/
newap.av.replaceMappings(viewport.getAlignment());
+ /*
+ * start up cDNA consensus (if applicable) now mappings are in place
+ */
+ if (newap.av.initComplementConsensus())
+ {
+ newap.refresh(true); // adjust layout of annotations
+ }
+
newap.av.viewName = getNewViewName(viewTitle);
addAlignmentPanel(newap, true);
*/
if (ResidueColourScheme.USER_DEFINED.equals(name))
{
- new UserDefinedColours(alignPanel, null);
+ new UserDefinedColours(alignPanel);
return;
}
public void changeColour(ColourSchemeI cs)
{
// TODO: pull up to controller method
- if (cs != null)
- {
- ColourMenuHelper.setColourSelected(colourMenu, cs.getSchemeName());
- }
+ ColourMenuHelper.setColourSelected(colourMenu, cs);
viewport.setGlobalColourScheme(cs);
// associating PDB files which have no IDs.
for (SequenceI toassoc : (SequenceI[]) fm[2])
{
- PDBEntry pe = new AssociatePdbFileWithSeq()
- .associatePdbWithSeq((String) fm[0],
+ PDBEntry pe = new AssociateStructureFileWithSeq()
+ .associateStructureWithSeq((String) fm[0],
(DataSourceType) fm[1], toassoc, false,
Desktop.instance);
if (pe != null)
colourMenu.add(annotationColour);
ColourSchemeI colourScheme = viewport.getGlobalColourScheme();
- String schemeName = colourScheme == null ? null : colourScheme
- .getSchemeName();
-
- ColourMenuHelper.setColourSelected(colourMenu, schemeName);
+ ColourMenuHelper.setColourSelected(colourMenu, colourScheme);
}
}
{
private AppJmol appJmolWindow;
- private FeatureRenderer fr = null;
-
public AppJmolBinding(AppJmol appJmol, StructureSelectionManager sSm,
PDBEntry[] pdbentry, SequenceI[][] sequenceIs, DataSourceType protocol)
{
}
@Override
+ protected IProgressIndicator getIProgressIndicator()
+ {
+ return appJmolWindow.progressBar;
+ }
- @Override
- public FeatureRenderer getFeatureRenderer(AlignmentViewPanel alignment)
- {
- AlignmentPanel ap = (alignment == null) ? appJmolWindow
- .getAlignmentPanel() : (AlignmentPanel) alignment;
- if (ap.av.isShowSequenceFeatures())
- {
- if (fr == null)
- {
- fr = (jalview.gui.FeatureRenderer) ap.cloneFeatureRenderer();
- }
- else
- {
- ap.updateFeatureRenderer(fr);
- }
- }
-
- return fr;
- }
+
+ @Override
public SequenceRenderer getSequenceRenderer(AlignmentViewPanel alignment)
{
return new SequenceRenderer(((AlignmentPanel) alignment).av);
{
return appJmolWindow;
}
+
+ @Override
+ public jalview.api.FeatureRenderer getFeatureRenderer(
+ AlignmentViewPanel alignment)
+ {
+ AlignmentPanel ap = (alignment == null) ? appJmolWindow
+ .getAlignmentPanel() : (AlignmentPanel) alignment;
+ if (ap.av.isShowSequenceFeatures())
+ {
+ return ap.av.getAlignPanel().getSeqPanel().seqCanvas.fr;
+ }
+
+ return null;
+ }
}
*/
package jalview.gui;
+import jalview.api.FeatureRenderer;
import jalview.bin.Cache;
import jalview.datamodel.AlignmentI;
import jalview.datamodel.PDBEntry;
StructureFile pdb = null;
try
{
- String[] curfiles = jmb.getPdbFile(); // files currently in viewer
+ String[] curfiles = jmb.getStructureFiles(); // files currently in viewer
// TODO: replace with reference fetching/transfer code (validate PDBentry
// as a DBRef?)
for (int pi = 0; pi < jmb.getPdbCount(); pi++)
}
// Explicitly map to the filename used by Chimera ;
pdb = jmb.getSsm().setMapping(jmb.getSequence()[pos],
- jmb.getChains()[pos], pe.getFile(), protocol);
+ jmb.getChains()[pos], pe.getFile(), protocol,
+ progressBar);
stashFoundChains(pdb, pe.getFile());
} catch (OutOfMemoryError oomerror)
{
jmb.setFinishedInit(true);
jmb.setLoadingFromArchive(false);
+ /*
+ * ensure that any newly discovered features (e.g. RESNUM)
+ * are added to any open feature settings dialog
+ */
+ FeatureRenderer fr = getBinding().getFeatureRenderer(null);
+ if (fr != null)
+ {
+ fr.featuresAdded();
+ }
+
// refresh the sequence colours for the new structure(s)
for (AlignmentPanel ap : _colourwith)
{
/**
* Fetch PDB data and save to a local file. Returns the full path to the file,
- * or null if fetch fails.
+ * or null if fetch fails. TODO: refactor to common with Jmol ? duplication
*
* @param processingEntry
* @return
}
return reply;
}
+
+ @Override
+ protected IProgressIndicator getIProgressIndicator()
+ {
+ return progressBar;
+ }
+
+ @Override
+ protected AAStructureBindingModel getBindingModel()
+ {
+ return jmb;
+ }
}
import jalview.datamodel.Alignment;
import jalview.datamodel.AlignmentAnnotation;
import jalview.datamodel.AlignmentI;
+import jalview.datamodel.GraphLine;
import jalview.datamodel.PDBEntry;
import jalview.datamodel.RnaViewerModel;
import jalview.datamodel.SequenceGroup;
import jalview.schemes.ColourSchemeI;
import jalview.schemes.ColourSchemeProperty;
import jalview.schemes.FeatureColour;
-import jalview.schemes.ResidueColourScheme;
import jalview.schemes.ResidueProperties;
import jalview.schemes.UserColourScheme;
import jalview.structure.StructureSelectionManager;
import jalview.util.StringUtils;
import jalview.util.jarInputStreamProvider;
import jalview.viewmodel.AlignmentViewport;
+import jalview.viewmodel.ViewportRanges;
import jalview.viewmodel.seqfeatures.FeatureRendererSettings;
import jalview.viewmodel.seqfeatures.FeaturesDisplayed;
import jalview.ws.jws2.Jws2Discoverer;
List<UserColourScheme> userColours = new ArrayList<UserColourScheme>();
AlignViewport av = ap.av;
+ ViewportRanges vpRanges = av.getRanges();
JalviewModel object = new JalviewModel();
object.setVamsasModel(new jalview.schemabinding.version2.VamsasModel());
view.setWidth(size.width);
view.setHeight(size.height);
- view.setStartRes(av.startRes);
- view.setStartSeq(av.startSeq);
+ view.setStartRes(vpRanges.getStartRes());
+ view.setStartSeq(vpRanges.getStartSeq());
if (av.getGlobalColourScheme() instanceof jalview.schemes.UserColourScheme)
{
return matchedFile;
}
+ /**
+ * Populates the AnnotationColours xml for save. This captures the settings of
+ * the options in the 'Colour by Annotation' dialog.
+ *
+ * @param acg
+ * @param userColours
+ * @param jms
+ * @return
+ */
private AnnotationColours constructAnnotationColours(
AnnotationColourGradient acg, List<UserColourScheme> userColours,
JalviewModelSequence jms)
AnnotationColours ac = new AnnotationColours();
ac.setAboveThreshold(acg.getAboveThreshold());
ac.setThreshold(acg.getAnnotationThreshold());
- ac.setAnnotation(acg.getAnnotation());
- if (acg.getBaseColour() instanceof jalview.schemes.UserColourScheme)
+ // 2.10.2 save annotationId (unique) not annotation label
+ ac.setAnnotation(acg.getAnnotation().annotationId);
+ if (acg.getBaseColour() instanceof UserColourScheme)
{
ac.setColourScheme(setUserColourScheme(acg.getBaseColour(),
userColours, jms));
@Override
public void run()
{
- JvOptionPane.showInternalMessageDialog(Desktop.desktop,
- finalErrorMessage, "Error "
- + (saving ? "saving" : "loading")
- + " Jalview file", JvOptionPane.WARNING_MESSAGE);
+ JvOptionPane
+ .showInternalMessageDialog(Desktop.desktop,
+ finalErrorMessage, "Error "
+ + (saving ? "saving" : "loading")
+ + " Jalview file",
+ JvOptionPane.WARNING_MESSAGE);
}
});
}
StructureData filedat = oldFiles.get(id);
String pdbFile = filedat.getFilePath();
SequenceI[] seq = filedat.getSeqList().toArray(new SequenceI[0]);
- binding.getSsm().setMapping(seq, null, pdbFile, DataSourceType.FILE);
+ binding.getSsm().setMapping(seq, null, pdbFile, DataSourceType.FILE,
+ null);
binding.addSequenceForStructFile(pdbFile, seq);
}
// and add the AlignmentPanel's reference to the view panel
af.viewport.setThresholdTextColour(view.getTextColThreshold());
af.viewport.setShowUnconserved(view.hasShowUnconserved() ? view
.isShowUnconserved() : false);
- af.viewport.setStartRes(view.getStartRes());
- af.viewport.setStartSeq(view.getStartSeq());
+ af.viewport.getRanges().setStartRes(view.getStartRes());
+ af.viewport.getRanges().setStartSeq(view.getStartSeq());
af.alignPanel.updateLayout();
ColourSchemeI cs = null;
// apply colourschemes
return af;
}
+ /**
+ * Reads saved data to restore Colour by Annotation settings
+ *
+ * @param viewAnnColour
+ * @param af
+ * @param al
+ * @param jms
+ * @param checkGroupAnnColour
+ * @return
+ */
private ColourSchemeI constructAnnotationColour(
AnnotationColours viewAnnColour, AlignFrame af, AlignmentI al,
JalviewModelSequence jms, boolean checkGroupAnnColour)
{
boolean propagateAnnColour = false;
- ColourSchemeI cs = null;
AlignmentI annAlignment = af != null ? af.viewport.getAlignment() : al;
if (checkGroupAnnColour && al.getGroups() != null
&& al.getGroups().size() > 0)
// pre 2.8.1 behaviour
// check to see if we should transfer annotation colours
propagateAnnColour = true;
- for (jalview.datamodel.SequenceGroup sg : al.getGroups())
+ for (SequenceGroup sg : al.getGroups())
{
if (sg.getColourScheme() instanceof AnnotationColourGradient)
{
}
}
}
- // int find annotation
- if (annAlignment.getAlignmentAnnotation() != null)
+
+ /*
+ * 2.10.2- : saved annotationId is AlignmentAnnotation.annotationId
+ */
+ String annotationId = viewAnnColour.getAnnotation();
+ AlignmentAnnotation matchedAnnotation = annotationIds.get(annotationId);
+
+ /*
+ * pre 2.10.2: saved annotationId is AlignmentAnnotation.label
+ */
+ if (matchedAnnotation == null && annAlignment.getAlignmentAnnotation() != null)
{
for (int i = 0; i < annAlignment.getAlignmentAnnotation().length; i++)
{
- if (annAlignment.getAlignmentAnnotation()[i].label
- .equals(viewAnnColour.getAnnotation()))
+ if (annotationId
+ .equals(annAlignment.getAlignmentAnnotation()[i].label))
{
- if (annAlignment.getAlignmentAnnotation()[i].getThreshold() == null)
- {
- annAlignment.getAlignmentAnnotation()[i]
- .setThreshold(new jalview.datamodel.GraphLine(
- viewAnnColour.getThreshold(), "Threshold",
- java.awt.Color.black)
-
- );
- }
-
- if (viewAnnColour.getColourScheme().equals(
- ResidueColourScheme.NONE))
- {
- cs = new AnnotationColourGradient(
- annAlignment.getAlignmentAnnotation()[i],
- new java.awt.Color(viewAnnColour.getMinColour()),
- new java.awt.Color(viewAnnColour.getMaxColour()),
- viewAnnColour.getAboveThreshold());
- }
- else if (viewAnnColour.getColourScheme().startsWith("ucs"))
- {
- cs = new AnnotationColourGradient(
- annAlignment.getAlignmentAnnotation()[i],
- getUserColourScheme(jms,
- viewAnnColour.getColourScheme()),
- viewAnnColour.getAboveThreshold());
- }
- else
- {
- cs = new AnnotationColourGradient(
- annAlignment.getAlignmentAnnotation()[i],
- ColourSchemeProperty.getColourScheme(al,
- viewAnnColour.getColourScheme()),
- viewAnnColour.getAboveThreshold());
- }
- if (viewAnnColour.hasPerSequence())
- {
- ((AnnotationColourGradient) cs).setSeqAssociated(viewAnnColour
- .isPerSequence());
- }
- if (viewAnnColour.hasPredefinedColours())
- {
- ((AnnotationColourGradient) cs)
- .setPredefinedColours(viewAnnColour
- .isPredefinedColours());
- }
- if (propagateAnnColour && al.getGroups() != null)
- {
- // Also use these settings for all the groups
- for (int g = 0; g < al.getGroups().size(); g++)
- {
- jalview.datamodel.SequenceGroup sg = al.getGroups().get(g);
-
- if (sg.cs == null)
- {
- continue;
- }
+ matchedAnnotation = annAlignment.getAlignmentAnnotation()[i];
+ break;
+ }
+ }
+ }
+ if (matchedAnnotation == null)
+ {
+ System.err.println("Failed to match annotation colour scheme for "
+ + annotationId);
+ return null;
+ }
+ if (matchedAnnotation.getThreshold() == null)
+ {
+ matchedAnnotation.setThreshold(new GraphLine(viewAnnColour.getThreshold(),
+ "Threshold", Color.black));
+ }
- /*
- * if (viewAnnColour.getColourScheme().equals(ResidueColourScheme.NONE)) { sg.cs =
- * new AnnotationColourGradient(
- * annAlignment.getAlignmentAnnotation()[i], new
- * java.awt.Color(viewAnnColour. getMinColour()), new
- * java.awt.Color(viewAnnColour. getMaxColour()),
- * viewAnnColour.getAboveThreshold()); } else
- */
- {
- sg.setColourScheme(new AnnotationColourGradient(
- annAlignment.getAlignmentAnnotation()[i], sg
- .getColourScheme(), viewAnnColour
- .getAboveThreshold()));
- if (cs instanceof AnnotationColourGradient)
- {
- if (viewAnnColour.hasPerSequence())
- {
- ((AnnotationColourGradient) cs)
- .setSeqAssociated(viewAnnColour.isPerSequence());
- }
- if (viewAnnColour.hasPredefinedColours())
- {
- ((AnnotationColourGradient) cs)
- .setPredefinedColours(viewAnnColour
- .isPredefinedColours());
- }
- }
- }
+ AnnotationColourGradient cs = null;
+ if (viewAnnColour.getColourScheme().equals("None"))
+ {
+ cs = new AnnotationColourGradient(matchedAnnotation, new Color(
+ viewAnnColour.getMinColour()), new Color(
+ viewAnnColour.getMaxColour()),
+ viewAnnColour.getAboveThreshold());
+ }
+ else if (viewAnnColour.getColourScheme().startsWith("ucs"))
+ {
+ cs = new AnnotationColourGradient(matchedAnnotation, getUserColourScheme(
+ jms, viewAnnColour.getColourScheme()),
+ viewAnnColour.getAboveThreshold());
+ }
+ else
+ {
+ cs = new AnnotationColourGradient(matchedAnnotation,
+ ColourSchemeProperty.getColourScheme(al,
+ viewAnnColour.getColourScheme()),
+ viewAnnColour.getAboveThreshold());
+ }
- }
- }
+ boolean perSequenceOnly = viewAnnColour.isPerSequence();
+ boolean useOriginalColours = viewAnnColour.isPredefinedColours();
+ cs.setSeqAssociated(perSequenceOnly);
+ cs.setPredefinedColours(useOriginalColours);
- break;
+ if (propagateAnnColour && al.getGroups() != null)
+ {
+ // Also use these settings for all the groups
+ for (int g = 0; g < al.getGroups().size(); g++)
+ {
+ SequenceGroup sg = al.getGroups().get(g);
+ if (sg.getGroupColourScheme() == null)
+ {
+ continue;
}
+ AnnotationColourGradient groupScheme = new AnnotationColourGradient(
+ matchedAnnotation, sg.getColourScheme(),
+ viewAnnColour.getAboveThreshold());
+ sg.setColourScheme(groupScheme);
+ groupScheme.setSeqAssociated(perSequenceOnly);
+ groupScheme.setPredefinedColours(useOriginalColours);
}
}
return cs;
}
@Override
- public String[] getPdbFile()
+ public String[] getStructureFiles()
{
return modelSet;
}
ArrayList<String[]> ccomands = new ArrayList<String[]>();
ArrayList<String> pdbfn = new ArrayList<String>();
StructureMappingcommandSet[] colcommands = JmolCommands
- .getColourBySequenceCommand(ssm, modelSet, sequence, sr, fr,
- ((AlignmentViewPanel) source).getAlignViewport());
+ .getColourBySequenceCommand(ssm, modelSet, sequence, sr,
+ (AlignmentViewPanel) source);
if (colcommands == null)
{
return;
*/
package jalview.structures.models;
-import jalview.api.AlignViewportI;
import jalview.api.AlignmentViewPanel;
-import jalview.api.FeatureRenderer;
import jalview.api.SequenceRenderer;
import jalview.api.StructureSelectionManagerProvider;
import jalview.api.structures.JalviewStructureDisplayI;
BitSet matched, SuperposeData[] structures)
{
int refStructure = -1;
- String[] files = getPdbFile();
+ String[] files = getStructureFiles();
if (files == null)
{
return -1;
public abstract void setBackgroundColour(Color col);
protected abstract StructureMappingcommandSet[] getColourBySequenceCommands(
- String[] files, SequenceRenderer sr, FeatureRenderer fr,
- AlignViewportI alignViewportI);
-
- /**
- * returns the current featureRenderer that should be used to colour the
- * structures
- *
- * @param alignment
- *
- * @return
- */
- public abstract FeatureRenderer getFeatureRenderer(AlignmentViewPanel alignment);
+ String[] files, SequenceRenderer sr, AlignmentViewPanel avp);
/**
* returns the current sequenceRenderer that should be used to colour the
{
return;
}
- String[] files = getPdbFile();
+ String[] files = getStructureFiles();
SequenceRenderer sr = getSequenceRenderer(alignmentv);
- FeatureRenderer fr = null;
- boolean showFeatures = alignmentv.getAlignViewport()
- .isShowSequenceFeatures();
- if (showFeatures)
- {
- fr = getFeatureRenderer(alignmentv);
- }
-
StructureMappingcommandSet[] colourBySequenceCommands = getColourBySequenceCommands(
- files, sr, fr, alignmentv.getAlignViewport());
+ files, sr, alignmentv);
colourBySequence(colourBySequenceCommands);
}
{
return fileLoadingError != null && fileLoadingError.length() > 0;
}
+
+ public abstract jalview.api.FeatureRenderer getFeatureRenderer(
+ AlignmentViewPanel alignment);
}
import jalview.io.StructureFile;
import jalview.schemes.ResidueProperties;
import jalview.structure.StructureMapping;
+ import jalview.structure.StructureMappingClient;
+ import jalview.structures.models.MappingOutputModel;
import jalview.util.Comparison;
import jalview.util.DBRefUtils;
import jalview.util.Format;
import java.nio.file.attribute.BasicFileAttributes;
import java.util.ArrayList;
import java.util.Arrays;
- import java.util.Collection;
import java.util.Collections;
import java.util.Date;
import java.util.HashMap;
import javax.xml.stream.XMLInputFactory;
import javax.xml.stream.XMLStreamReader;
- import MCview.Atom;
- import MCview.PDBChain;
-
- public class SiftsClient implements SiftsClientI
+ public class SiftsClient extends StructureMappingClient implements
+ SiftsClientI
{
/*
* for use in mocking out file fetch for tests only
private Entry siftsEntry;
- private StructureFile pdb;
-
private String pdbId;
private String structId;
private static final int PDB_RES_POS = 0;
- private static final int PDB_ATOM_POS = 1;
-
private static final String NOT_OBSERVED = "Not_Observed";
private static final String SIFTS_FTP_BASE_URL = "http://ftp.ebi.ac.uk/pub/databases/msd/sifts/xml/";
* @param pdbId
* @throws SiftsException
*/
- public SiftsClient(StructureFile pdb) throws SiftsException
+ public SiftsClient(StructureFile structureFile) throws SiftsException
{
- this.pdb = pdb;
- this.pdbId = pdb.getId();
+ this.structureFile = structureFile;
+ this.pdbId = structureFile.getId();
File siftsFile = getSiftsFile(pdbId);
siftsEntry = parseSIFTs(siftsFile);
}
}
@Override
- public StructureMapping getSiftsStructureMapping(SequenceI seq,
- String pdbFile, String chain) throws SiftsException
+ public StructureMapping getStructureMapping(SequenceI seq,
+ String pdbFile, String chain) throws Exception,
+ StructureMappingException
{
structId = (chain == null) ? pdbId : pdbId + "|" + chain;
System.out.println("Getting SIFTS mapping for " + structId + ": seq "
@Override
public HashMap<Integer, int[]> getGreedyMapping(String entityId,
- SequenceI seq, java.io.PrintStream os) throws SiftsException
+ SequenceI seq, java.io.PrintStream os) throws SiftsException,
+ StructureMappingException
{
List<Integer> omitNonObserved = new ArrayList<Integer>();
int nonObservedShiftIndex = 0;
if (os != null)
{
- MappingOutputPojo mop = new MappingOutputPojo();
+ MappingOutputModel mop = new MappingOutputModel();
mop.setSeqStart(seqStart);
mop.setSeqEnd(seqEnd);
mop.setSeqName(seq.getName());
.getDbResNum());
} catch (NumberFormatException nfe)
{
- resNum = (pdbRefDb == null) ? Integer.valueOf(residue
- .getDbResNum()) : Integer.valueOf(pdbRefDb
+ if (pdbRefDb == null || pdbRefDb.getDbResNum().equals("null"))
+ {
+ resNum = UNASSIGNED;
+ continue;
+ }
+ resNum = Integer.valueOf(pdbRefDb
.getDbResNum().split("[a-zA-Z]")[0]);
continue;
}
}
}
- /**
- *
- * @param chainId
- * Target chain to populate mapping of its atom positions.
- * @param mapping
- * Two dimension array of residue index versus atom position
- * @throws IllegalArgumentException
- * Thrown if chainId or mapping is null
- * @throws SiftsException
- */
- void populateAtomPositions(String chainId, Map<Integer, int[]> mapping)
- throws IllegalArgumentException, SiftsException
- {
- try
- {
- PDBChain chain = pdb.findChain(chainId);
-
- if (chain == null || mapping == null)
- {
- throw new IllegalArgumentException(
- "Chain id or mapping must not be null.");
- }
- for (int[] map : mapping.values())
- {
- if (map[PDB_RES_POS] != UNASSIGNED)
- {
- map[PDB_ATOM_POS] = getAtomIndex(map[PDB_RES_POS], chain.atoms);
- }
- }
- } catch (NullPointerException e)
- {
- throw new SiftsException(e.getMessage());
- } catch (Exception e)
- {
- throw new SiftsException(e.getMessage());
- }
- }
-
- /**
- *
- * @param residueIndex
- * The residue index used for the search
- * @param atoms
- * A collection of Atom to search
- * @return atom position for the given residue index
- */
- int getAtomIndex(int residueIndex, Collection<Atom> atoms)
- {
- if (atoms == null)
- {
- throw new IllegalArgumentException(
- "atoms collection must not be null!");
- }
- for (Atom atom : atoms)
- {
- if (atom.resNumber == residueIndex)
- {
- return atom.atomIndex;
- }
- }
- return UNASSIGNED;
- }
/**
* Checks if the residue instance is marked 'Not_observed' or not
}
@Override
- public StringBuffer getMappingOutput(MappingOutputPojo mp)
- throws SiftsException
+ public StringBuffer getMappingOutput(MappingOutputModel mp)
+ throws StructureMappingException
{
String seqRes = mp.getSeqResidue();
String seqName = mp.getSeqName();
float pid = (float) matchedSeqCount / seqRes.length() * 100;
if (pid < SiftsSettings.getFailSafePIDThreshold())
{
- throw new SiftsException(">>> Low PID detected for SIFTs mapping...");
+ throw new StructureMappingException(
+ ">>> Low PID detected for SIFTs mapping...");
}
output.append("Length of alignment = " + seqRes.length()).append(
NEWLINE);
import static org.testng.AssertJUnit.assertFalse;
import static org.testng.AssertJUnit.assertTrue;
-import jalview.api.AlignViewportI;
import jalview.api.AlignmentViewPanel;
import jalview.api.FeatureRenderer;
import jalview.api.SequenceRenderer;
StructureSelectionManager ssm = new StructureSelectionManager();
ssm.setMapping(new SequenceI[] { seq1a, seq1b }, null, PDB_1,
- DataSourceType.PASTE);
+ DataSourceType.PASTE, null);
ssm.setMapping(new SequenceI[] { seq2 }, null, PDB_2,
- DataSourceType.PASTE);
+ DataSourceType.PASTE, null);
ssm.setMapping(new SequenceI[] { seq3 }, null, PDB_3,
- DataSourceType.PASTE);
+ DataSourceType.PASTE, null);
+
testee = new AAStructureBindingModel(ssm, pdbFiles, seqs, null)
{
@Override
- public String[] getPdbFile()
+ public String[] getStructureFiles()
{
return new String[] { "INLINE1YCS", "INLINE3A6S", "INLINE1OOT" };
}
@Override
protected StructureMappingcommandSet[] getColourBySequenceCommands(
- String[] files, SequenceRenderer sr, FeatureRenderer fr,
- AlignViewportI viewport)
- {
- return null;
- }
-
- @Override
- public FeatureRenderer getFeatureRenderer(AlignmentViewPanel alignment)
+ String[] files, SequenceRenderer sr, AlignmentViewPanel avp)
{
return null;
}
public void colourByCharge()
{
}
+
+ @Override
+ public FeatureRenderer getFeatureRenderer(
+ AlignmentViewPanel alignment)
+ {
+ return null;
+ }
};
}
/*
* create a data bean to hold data per structure file
*/
- SuperposeData[] structs = new SuperposeData[testee.getPdbFile().length];
+ SuperposeData[] structs = new SuperposeData[testee.getStructureFiles().length];
for (int i = 0; i < structs.length; i++)
{
structs[i] = testee.new SuperposeData(al.getWidth());
import jalview.gui.JvOptionPane;
import jalview.io.DataSourceType;
import jalview.structure.StructureMapping;
+ import jalview.structure.StructureMappingClient.StructureMappingException;
import jalview.xml.binding.sifts.Entry.Entity;
import java.io.File;
import java.io.IOException;
import java.util.ArrayList;
+ import java.util.Arrays;
import java.util.HashMap;
+import java.util.Iterator;
+import java.util.Map;
import org.testng.Assert;
import org.testng.FileAssert;
"A", testSeq, null);
Assert.assertEquals(testSeq.getStart(), 1);
Assert.assertEquals(testSeq.getEnd(), 147);
++<<<<<<< HEAD
+ // Can't do Assert.assertEquals(actualMapping, expectedMapping);
+ // because this fails in our version of TestNG
+ Assert.assertEquals(actualMapping.size(), expectedMapping.size());
+ Iterator<Map.Entry<Integer, int[]>> it = expectedMapping.entrySet()
+ .iterator();
+ while (it.hasNext())
+ {
+ Map.Entry<Integer, int[]> pair = it.next();
+ Assert.assertTrue(actualMapping.containsKey(pair.getKey()));
+ Assert.assertEquals(actualMapping.get(pair.getKey()),
+ pair.getValue());
+ }
+
++=======
+ // Assert.assertEquals(actualMapping, expectedMapping);
+ Assert.assertEquals(actualMapping.size(), expectedMapping.size());
+ // Test key set
+ Assert.assertEquals(actualMapping.keySet(), expectedMapping.keySet());
+ // Test entry set
+ for (int key : expectedMapping.keySet())
+ {
+ Assert.assertTrue(Arrays.equals(expectedMapping.get(key),
+ actualMapping.get(key)));
+ }
++>>>>>>> f80180a53bf16dc72ecdd4ace0f70c83cb0d274a
} catch (Exception e)
{
e.printStackTrace();
@Test(
groups = { "Network" },
- expectedExceptions = SiftsException.class)
+ expectedExceptions = StructureMappingException.class)
private void populateAtomPositionsNullTest1()
- throws IllegalArgumentException, SiftsException
+ throws IllegalArgumentException, StructureMappingException
{
siftsClient.populateAtomPositions(null, null);
}
@Test(
groups = { "Network" },
- expectedExceptions = SiftsException.class)
+ expectedExceptions = StructureMappingException.class)
private void populateAtomPositionsNullTest2()
- throws IllegalArgumentException, SiftsException
+ throws IllegalArgumentException, StructureMappingException
{
siftsClient.populateAtomPositions("A", null);
}
}
@Test(groups = { "Network" })
- public void getSiftsStructureMappingTest() throws SiftsException
+ public void getSiftsStructureMappingTest()
+ throws StructureMappingException, Exception
{
Assert.assertTrue(SiftsSettings.isMapWithSifts());
- StructureMapping strucMapping = siftsClient.getSiftsStructureMapping(
+ StructureMapping strucMapping = siftsClient.getStructureMapping(
testSeq, testPDBId, "A");
String expectedMappingOutput = "\nSequence ⟷ Structure mapping details\n"
+ "Method: SIFTS\n\n"
Assert.assertEquals(strucMapping.getMappingDetailsOutput(),
expectedMappingOutput);
++<<<<<<< HEAD
+ // Can't do Assert.assertEquals(strucMapping.getMapping(), expectedMapping);
+ // because this fails in our version of TestNG
+ Assert.assertEquals(strucMapping.getMapping().size(),
+ expectedMapping.size());
+ Iterator<Map.Entry<Integer, int[]>> it = expectedMapping.entrySet()
+ .iterator();
+ while (it.hasNext())
+ {
+ Map.Entry<Integer, int[]> pair = it.next();
+ Assert.assertTrue(strucMapping.getMapping()
+ .containsKey(pair.getKey()));
+ Assert.assertEquals(strucMapping.getMapping().get(pair.getKey()),
+ pair.getValue());
++=======
+ // Assert.assertEquals(strucMapping.getMapping(), expectedMapping);
+ Assert.assertEquals(strucMapping.getMapping().size(),
+ expectedMapping.size());
+ // Test key set
+ Assert.assertEquals(strucMapping.getMapping().keySet(),
+ expectedMapping.keySet());
+ // Test entry set
+ for (int key : expectedMapping.keySet())
+ {
+ Assert.assertTrue(Arrays.equals(expectedMapping.get(key),
+ strucMapping.getMapping().get(key)));
++>>>>>>> f80180a53bf16dc72ecdd4ace0f70c83cb0d274a
}
}
git://source.jalview.org / jalview.git / commitdiff