*/
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.HiddenColumns;
import jalview.datamodel.PDBEntry;
import jalview.datamodel.SequenceI;
+import jalview.ext.rbvi.chimera.AtomSpecModel;
import jalview.gui.IProgressIndicator;
import jalview.io.DataSourceType;
import jalview.io.StructureFile;
import jalview.schemes.ColourSchemeI;
import jalview.schemes.ResidueProperties;
import jalview.structure.AtomSpec;
-import jalview.structure.StructureMappingcommandSet;
import jalview.structure.StructureSelectionManager;
import jalview.structures.models.AAStructureBindingModel;
import jalview.util.MessageManager;
import java.awt.event.ComponentListener;
import java.io.File;
import java.net.URL;
-import java.security.AccessControlException;
import java.util.ArrayList;
import java.util.BitSet;
import java.util.Hashtable;
/**
* prepare the view for a given set of models/chains. chainList contains
* strings of the form 'pdbfilename:Chaincode'
- *
- * @param chainList
- * list of chains to make visible
*/
- public void centerViewer(Vector<String> chainList)
+ public void centerViewer()
{
StringBuilder cmd = new StringBuilder(128);
int mlength, p;
- for (String lbl : chainList)
+ for (String lbl : chainsToShow)
{
mlength = 0;
do
{
cmd.setLength(cmd.length() - 4);
}
- evalStateCommand("select *;restrict " + cmd + ";cartoon;center " + cmd);
+ String command = "select *;restrict " + cmd + ";cartoon;center " + cmd;
+ evalStateCommand(command);
}
public void closeViewer()
}
Thread colourby = null;
+
/**
* Sends a set of colour commands to the structure viewer
*
- * @param colourBySequenceCommands
+ * @param commands
*/
@Override
- protected void colourBySequence(
- final StructureMappingcommandSet[] colourBySequenceCommands)
+ protected void colourBySequence(final String[] commands)
{
if (colourby != null)
{
@Override
public void run()
{
- for (StructureMappingcommandSet cpdbbyseq : colourBySequenceCommands)
+ for (String cmd : commands)
{
- for (String cbyseq : cpdbbyseq.commands)
- {
- executeWhenReady(cbyseq);
- }
+ executeWhenReady(cmd);
}
}
});
/**
* @param files
- * @param sr
* @param viewPanel
* @return
*/
@Override
- protected StructureMappingcommandSet[] getColourBySequenceCommands(
- String[] files, SequenceRenderer sr, AlignmentViewPanel viewPanel)
+ protected String[] getColourBySequenceCommands(
+ String[] files, AlignmentViewPanel viewPanel)
{
- return JmolCommands.getColourBySequenceCommand(getSsm(), files,
- getSequence(), sr, viewPanel);
+ Map<Object, AtomSpecModel> map = buildColoursMap(viewPanel);
+
+ return JmolCommands.getColourBySequenceCommand(map);
}
/**
*/
private int _modelFileNameMap[];
- // ////////////////////////////////
- // /StructureListener
- // @Override
- public synchronized String[] getPdbFilex()
- {
- if (viewer == null)
- {
- return new String[0];
- }
- if (modelFileNames == null)
- {
- List<String> mset = new ArrayList<>();
- _modelFileNameMap = new int[viewer.ms.mc];
- String m = viewer.ms.getModelFileName(0);
- if (m != null)
- {
- String filePath = m;
- try
- {
- filePath = new File(m).getAbsolutePath();
- } catch (AccessControlException x)
- {
- // usually not allowed to do this in applet
- System.err.println(
- "jmolBinding: Using local file string from Jmol: " + m);
- }
- if (filePath.indexOf("/file:") != -1)
- {
- // applet path with docroot - discard as format won't match pdbfile
- filePath = m;
- }
- mset.add(filePath);
- _modelFileNameMap[0] = 0; // filename index for first model is always 0.
- }
- int j = 1;
- for (int i = 1; i < viewer.ms.mc; i++)
- {
- m = viewer.ms.getModelFileName(i);
- String filePath = m;
- if (m != null)
- {
- try
- {
- filePath = new File(m).getAbsolutePath();
- } catch (AccessControlException x)
- {
- // usually not allowed to do this in applet, so keep raw handle
- // System.err.println("jmolBinding: Using local file string from
- // Jmol: "+m);
- }
- }
-
- /*
- * add this model unless it is read from a structure file we have
- * already seen (example: 2MJW is an NMR structure with 10 models)
- */
- if (!mset.contains(filePath))
- {
- mset.add(filePath);
- _modelFileNameMap[j] = i; // record the model index for the filename
- j++;
- }
- }
- modelFileNames = mset.toArray(new String[mset.size()]);
- }
- return modelFileNames;
- }
-
@Override
public synchronized String[] getStructureFiles()
{
try
{
// recover PDB filename for the model hovered over.
- int mnumber = new Integer(mdlId).intValue() - 1;
+ int mnumber = Integer.valueOf(mdlId).intValue() - 1;
if (_modelFileNameMap != null)
{
int _mp = _modelFileNameMap.length - 1;
return chainNames;
}
- protected abstract IProgressIndicator getIProgressIndicator();
+ protected IProgressIndicator getIProgressIndicator()
+ {
+ return null;
+ }
public void notifyNewPickingModeMeasurement(int iatom, String strMeasure)
{
{
showConsole(false);
}
+
+ @Override
+ public void showStructures(AlignViewportI av, boolean refocus)
+ {
+ StringBuilder cmd = new StringBuilder(128);
+
+ if (isShowAlignmentOnly())
+ {
+ cmd.append("hide *;");
+
+ AtomSpecModel model = getShownResidues(av);
+ String atomSpec = JmolCommands.getAtomSpec(model);
+
+ cmd.append("display ").append(atomSpec);
+ }
+ else
+ {
+ cmd.append("display *");
+ }
+ cmd.append("; cartoon");
+ if (refocus)
+ {
+ cmd.append("; zoom 100");
+ }
+ evalStateCommand(cmd.toString());
+ }
+
+ /**
+ * Answers a Jmol syntax style structure model specification. Model number 0, 1,
+ * 2... is formatted as "1.1", "2.1", "3.1" etc.
+ */
+ @Override
+ public String getModelSpec(int model)
+ {
+ return String.valueOf(model + 1) + ".1";
+ }
}
git://source.jalview.org / jalview.git / blobdiff