use of org.vcell.util.Pair in project vcell by virtualcell.
the class ReactionRuleParticipantSignaturePropertiesPanel method initialize.
private void initialize() {
try {
shapePanel = new ParticipantSignatureShapePanel() {
@Override
public void paintComponent(Graphics g) {
super.paintComponent(g);
for (Pair<ReactionRulePatternLargeShape, ReactionRulePatternLargeShape> p : ruleShapeList) {
ReactionRulePatternLargeShape rp = p.one;
rp.paintSelf(g);
ReactionRulePatternLargeShape pp = p.two;
pp.paintSelf(g);
}
}
};
shapePanel.setLayout(new GridBagLayout());
shapePanel.setBackground(Color.white);
shapePanel.zoomSmaller();
shapePanel.zoomSmaller();
shapePanel.zoomSmaller();
getZoomSmallerButton().setEnabled(true);
getZoomLargerButton().setEnabled(true);
scrollPane = new JScrollPane(shapePanel);
scrollPane.setHorizontalScrollBarPolicy(JScrollPane.HORIZONTAL_SCROLLBAR_AS_NEEDED);
scrollPane.setVerticalScrollBarPolicy(JScrollPane.VERTICAL_SCROLLBAR_AS_NEEDED);
JPanel optionsPanel = new JPanel();
optionsPanel.setPreferredSize(new Dimension(140, 200));
optionsPanel.setLayout(new GridBagLayout());
getZoomSmallerButton().setEnabled(true);
getZoomLargerButton().setEnabled(true);
int gridy = 0;
GridBagConstraints gbc = new GridBagConstraints();
gbc.gridx = 0;
gbc.gridy = gridy;
gbc.weightx = 0;
gbc.insets = new Insets(8, 4, 4, 0);
gbc.anchor = GridBagConstraints.WEST;
optionsPanel.add(getZoomLargerButton(), gbc);
gbc = new GridBagConstraints();
gbc.gridx = 1;
gbc.gridy = gridy;
gbc.weightx = 0;
gbc.insets = new Insets(8, 0, 4, 4);
gbc.anchor = GridBagConstraints.WEST;
optionsPanel.add(getZoomSmallerButton(), gbc);
// apparently we don't need a fake 3rd cell to the right
gridy++;
gbc = new GridBagConstraints();
gbc.gridx = 0;
gbc.gridy = gridy;
gbc.gridwidth = 2;
gbc.weightx = 1;
// fake cell used for filling all the vertical empty space
gbc.weighty = 1;
gbc.anchor = GridBagConstraints.WEST;
gbc.insets = new Insets(4, 4, 4, 10);
optionsPanel.add(new JLabel(""), gbc);
gridy++;
gbc = new GridBagConstraints();
gbc.gridx = 0;
gbc.gridy = gridy;
gbc.gridwidth = 2;
gbc.insets = new Insets(0, 4, 4, 4);
gbc.fill = GridBagConstraints.HORIZONTAL;
gbc.anchor = GridBagConstraints.SOUTHWEST;
optionsPanel.add(getShowMoleculeColorButton(), gbc);
gridy++;
gbc = new GridBagConstraints();
gbc.gridx = 0;
gbc.gridy = gridy;
gbc.gridwidth = 2;
gbc.insets = new Insets(0, 4, 4, 4);
gbc.fill = GridBagConstraints.HORIZONTAL;
gbc.anchor = GridBagConstraints.SOUTHWEST;
optionsPanel.add(getShowNonTrivialButton(), gbc);
gridy++;
gbc = new GridBagConstraints();
gbc.gridx = 0;
gbc.gridy = gridy;
gbc.gridwidth = 2;
gbc.insets = new Insets(0, 4, 4, 4);
gbc.fill = GridBagConstraints.HORIZONTAL;
gbc.anchor = GridBagConstraints.SOUTHWEST;
optionsPanel.add(getShowDifferencesButton(), gbc);
getShowMoleculeColorButton().setSelected(true);
getShowNonTrivialButton().setSelected(true);
getShowDifferencesButton().setSelected(false);
shapePanel.setShowMoleculeColor(getShowMoleculeColorButton().isSelected());
shapePanel.setShowNonTrivialOnly(getShowNonTrivialButton().isSelected());
shapePanel.setShowDifferencesOnly(getShowDifferencesButton().isSelected());
containerOfScrollPanel = new JPanel();
containerOfScrollPanel.setLayout(new BorderLayout());
containerOfScrollPanel.add(optionsPanel, BorderLayout.WEST);
containerOfScrollPanel.add(scrollPane, BorderLayout.CENTER);
setLayout(new BorderLayout());
add(containerOfScrollPanel, BorderLayout.CENTER);
setBackground(Color.white);
} catch (java.lang.Throwable ivjExc) {
handleException(ivjExc);
}
}
use of org.vcell.util.Pair in project vcell by virtualcell.
the class ReactionRuleParticipantSignaturePropertiesPanel method updateShape.
private void updateShape() {
int maxXOffset = 0;
ruleShapeList.clear();
// all the reactants go in one single ReactionRulePatternLargeShape, all the products the other
int yOffset = yOffsetReactantInitial + GraphConstants.ReactionRuleParticipantDisplay_ReservedSpaceForNameOnYAxis;
for (Map.Entry<String, ReactionRule> entry : reactionRuleMap.entrySet()) {
ReactionRule rr = entry.getValue();
ReactionRulePatternLargeShape reactantShape = new ReactionRulePatternLargeShape(xOffsetInitial, yOffset, -1, shapePanel, rr, true, issueManager);
reactantShape.setWriteName(true);
int xOffset = reactantShape.getRightEnd() + 70;
ReactionRulePatternLargeShape productShape = new ReactionRulePatternLargeShape(xOffset, yOffset, -1, shapePanel, rr, false, issueManager);
xOffset += productShape.getRightEnd();
yOffset += SpeciesPatternLargeShape.defaultHeight + GraphConstants.ReactionRuleParticipantDisplay_ReservedSpaceForNameOnYAxis;
maxXOffset = Math.max(maxXOffset, xOffset);
Pair<ReactionRulePatternLargeShape, ReactionRulePatternLargeShape> p = new Pair<>(reactantShape, productShape);
ruleShapeList.add(p);
}
int maxYOffset = Math.max(yOffsetReactantInitial + SpeciesPatternLargeShape.defaultHeight + GraphConstants.ReactionRuleParticipantDisplay_ReservedSpaceForNameOnYAxis, yOffsetReactantInitial + (SpeciesPatternLargeShape.defaultHeight + GraphConstants.ReactionRuleParticipantDisplay_ReservedSpaceForNameOnYAxis) * ruleShapeList.size());
Dimension preferredSize = new Dimension(maxXOffset, maxYOffset);
shapePanel.setPreferredSize(preferredSize);
containerOfScrollPanel.repaint();
}
use of org.vcell.util.Pair in project vcell by virtualcell.
the class BioModelEditorModelPanel method deleteButtonPressed.
private void deleteButtonPressed() {
try {
ArrayList<Object> deleteList = new ArrayList<Object>();
int selectedIndex = tabbedPane.getSelectedIndex();
if (selectedIndex == ModelPanelTabID.reaction_diagram.ordinal()) {
deleteList.addAll(Arrays.asList(reactionCartoonEditorPanel.getReactionCartoon().getSelectedObjects()));
// } else if (selectedIndex == ModelPanelTabID.structure_diagram.ordinal()) {
// deleteList.addAll(Arrays.asList(cartoonEditorPanel.getStructureCartoon().getSelectedObjects()));
} else {
computeCurrentSelectedTable();
int[] rows = currentSelectedTable.getSelectedRows();
if (rows == null || rows.length == 0) {
return;
}
if (currentSelectedTable == speciesTable) {
for (int r : rows) {
if (r < speciesTableModel.getRowCount()) {
SpeciesContext speciesContext = speciesTableModel.getValueAt(r);
if (speciesContext != null) {
deleteList.add(speciesContext);
}
}
}
} else if (currentSelectedTable == molecularTypeTable) {
// TODO: delete stuff
for (int r : rows) {
if (r < molecularTypeTableModel.getRowCount()) {
MolecularType mt = molecularTypeTableModel.getValueAt(r);
if (mt != null) {
deleteList.add(mt);
}
}
}
} else if (currentSelectedTable == observablesTable) {
for (int r : rows) {
if (r < observableTableModel.getRowCount()) {
RbmObservable o = observableTableModel.getValueAt(r);
if (o != null) {
deleteList.add(o);
}
}
}
} else if (currentSelectedTable == structuresTable) {
for (int r : rows) {
if (r < structureTableModel.getRowCount()) {
Structure rowValue = structureTableModel.getValueAt(r);
if (rowValue instanceof Feature || rowValue instanceof Membrane) {
deleteList.add(rowValue);
}
}
}
} else if (currentSelectedTable == reactionsTable) {
for (int r : rows) {
if (r < reactionTableModel.getRowCount()) {
ModelProcess reaction = reactionTableModel.getValueAt(r);
if (reaction != null) {
deleteList.add(reaction);
}
}
}
}
}
if (deleteList.size() == 0) {
return;
}
StringBuilder deleteListText = new StringBuilder();
for (Object object : deleteList) {
if (object instanceof SpeciesContext) {
deleteListText.append("Species\t'" + ((SpeciesContext) object).getName() + "'\n");
} else if (object instanceof MolecularType) {
deleteListText.append(((MolecularType) object).getDisplayType() + "\t'" + ((MolecularType) object).getDisplayName() + "'\n");
} else if (object instanceof RbmObservable) {
deleteListText.append("Observable\t'" + ((RbmObservable) object).getName() + "'\n");
} else if (object instanceof ReactionStep) {
deleteListText.append("Reaction\t'" + ((ReactionStep) object).getName() + "'\n");
} else if (object instanceof ReactionRule) {
deleteListText.append("Reaction rule\t'" + ((ReactionRule) object).getName() + "'\n");
} else if (object instanceof Structure) {
deleteListText.append("Structure\t'" + ((Structure) object).getName() + "'\n");
}
}
// TODO: once we display reaction rules in the carton editor panel we'll have to change the way we delete reaction rules
if (deleteList.get(0) instanceof SpeciesContext || deleteList.get(0) instanceof ReactionStep) {
try {
ArrayList<SpeciesContext> speciesContextArrList = new ArrayList<SpeciesContext>();
ArrayList<ReactionStep> reactionStepArrList = new ArrayList<ReactionStep>();
for (Object obj : deleteList) {
if (obj instanceof SpeciesContext) {
speciesContextArrList.add((SpeciesContext) obj);
} else if (obj instanceof ReactionStep) {
reactionStepArrList.add((ReactionStep) obj);
} else {
throw new Exception("Unexpected delete object " + obj.getClass().getName());
}
}
ReactionCartoonTool.deleteReactionsAndSpecies(reactionCartoonEditorPanel, reactionStepArrList.toArray(new ReactionStep[0]), speciesContextArrList.toArray(new SpeciesContext[0]));
} catch (UserCancelException uce) {
return;
}
return;
} else {
String confirm = DialogUtils.showOKCancelWarningDialog(this, "Deleting", "You are going to delete the following:\n\n" + deleteListText + "\n Continue?");
if (confirm.equals(UserMessage.OPTION_CANCEL)) {
return;
}
for (Object object : deleteList) {
if (object instanceof ReactionRule) {
ReactionRule rr = (ReactionRule) object;
bioModel.getModel().getRbmModelContainer().removeReactionRule(rr);
} else if (object instanceof MolecularType) {
Map<String, Pair<Displayable, SpeciesPattern>> usedHere = new LinkedHashMap<String, Pair<Displayable, SpeciesPattern>>();
MolecularType mt = (MolecularType) object;
if (!bioModel.getModel().getRbmModelContainer().isDeleteAllowed(mt, usedHere)) {
String errMsg = mt.getDisplayType() + " <b>'" + mt + "'</b> cannot be deleted because it's already being used by:<br>";
final int MaxListSize = 7;
int count = 0;
for (String key : usedHere.keySet()) {
System.out.println(key);
if (count >= MaxListSize) {
errMsg += "<br> ... and more.";
break;
}
Pair<Displayable, SpeciesPattern> o = usedHere.get(key);
Displayable e = o.one;
SpeciesPattern sp = o.two;
errMsg += "<br> - " + e.getDisplayType().toLowerCase() + " <b>" + e.getDisplayName() + "</b>";
errMsg += ", " + sp.getDisplayType().toLowerCase() + " " + " <b>" + sp.getDisplayName() + "</b>";
count++;
}
errMsg = "<html>" + errMsg + "</html>";
throw new RuntimeException(errMsg);
}
bioModel.getModel().getRbmModelContainer().removeMolecularType(mt);
} else if (object instanceof RbmObservable) {
RbmObservable o = (RbmObservable) object;
bioModel.getModel().getRbmModelContainer().removeObservable(o);
} else {
bioModel.getModel().removeObject(object);
}
}
}
} catch (Exception ex) {
ex.printStackTrace();
DialogUtils.showErrorDialog(this, ex.getMessage());
}
}
use of org.vcell.util.Pair in project vcell by virtualcell.
the class NetworkTransformer method generateNetwork.
private BNGOutputSpec generateNetwork(SimulationContext simContext, MathMappingCallback mathMappingCallback, NetworkGenerationRequirements networkGenerationRequirements) throws ClassNotFoundException, IOException {
TaskCallbackMessage tcm;
BNGOutputSpec outputSpec;
speciesEquivalenceMap.clear();
kineticsParameterMap.clear();
String input = convertToBngl(simContext, true, mathMappingCallback, networkGenerationRequirements);
for (Map.Entry<FakeSeedSpeciesInitialConditionsParameter, Pair<SpeciesContext, Expression>> entry : speciesEquivalenceMap.entrySet()) {
FakeSeedSpeciesInitialConditionsParameter key = entry.getKey();
Pair<SpeciesContext, Expression> value = entry.getValue();
SpeciesContext sc = value.one;
Expression initial = value.two;
System.out.println("key: " + key.fakeParameterName + ", species: " + sc.getName() + ", initial: " + initial.infix());
}
String md5hash = MD5.md5(input);
if (isBngHashValid(input, md5hash, simContext)) {
String s = "Previously saved outputSpec is up-to-date, no need to generate network.";
System.out.println(s);
// not an error, we just want to show it in red
tcm = new TaskCallbackMessage(TaskCallbackStatus.Error, s);
simContext.appendToConsole(tcm);
if (simContext.isInsufficientIterations()) {
s = NetworkTransformer.getInsufficientIterationsMessage();
System.out.println(s);
tcm = new TaskCallbackMessage(TaskCallbackStatus.Error, s);
simContext.appendToConsole(tcm);
}
if (simContext.isInsufficientMaxMolecules()) {
s = NetworkTransformer.getInsufficientMaxMoleculesMessage();
System.out.println(s);
tcm = new TaskCallbackMessage(TaskCallbackStatus.Error, s);
simContext.appendToConsole(tcm);
}
outputSpec = simContext.getMostRecentlyCreatedOutputSpec();
return (BNGOutputSpec) BeanUtils.cloneSerializable(outputSpec);
}
BNGInput bngInput = new BNGInput(input);
BNGOutput bngOutput = null;
try {
final BNGExecutorService bngService = BNGExecutorService.getInstance(bngInput, networkGenerationRequirements.timeoutDurationMS);
bngService.registerBngUpdaterCallback(simContext);
bngOutput = bngService.executeBNG();
} catch (BNGException ex) {
ex.printStackTrace(System.out);
System.out.println("bionetgen exception");
if (ex.getMessage().contains("was asked to write the network, but no reactions were found")) {
RuntimeException rex = new RuntimeException("Specified species and reaction rules are not sufficient to define reaction network.");
throw rex;
} else {
// rethrow without losing context
throw ex;
}
} catch (RuntimeException ex) {
ex.printStackTrace(System.out);
System.out.println("runtime exception");
throw ex;
} catch (Exception ex) {
ex.printStackTrace(System.out);
System.out.println("other exception");
throw new RuntimeException(ex.getMessage());
}
// simContext.setInsufficientIterations(false);
// simContext.setInsufficientMaxMolecules(false);
String bngConsoleString = bngOutput.getConsoleOutput();
// TODO: this message we check if insufficient iterations / max molecules
// DO IT OUTSIDE (in the bng service), we now can
// tcm = new TaskCallbackMessage(TaskCallbackStatus.DetailBatch, bngConsoleString);
// simContext.appendToConsole(tcm);
tcm = new TaskCallbackMessage(TaskCallbackStatus.TaskEndNotificationOnly, "");
simContext.setNewCallbackMessage(tcm);
tcm = new TaskCallbackMessage(TaskCallbackStatus.TaskEndAdjustSimulationContextFlagsOnly, "");
simContext.setNewCallbackMessage(tcm);
String bngNetString = bngOutput.getNetFileContent();
outputSpec = BNGOutputFileParser.createBngOutputSpec(bngNetString);
// prints all output to console
BNGOutputFileParser.printBNGNetOutput(outputSpec);
if (mathMappingCallback.isInterrupted()) {
String msg = "Canceled by user.";
tcm = new TaskCallbackMessage(TaskCallbackStatus.Error, msg);
simContext.appendToConsole(tcm);
// clean the cache if the user interrupts
simContext.setMd5hash(null);
throw new UserCancelException(msg);
}
if (outputSpec.getBNGSpecies().length > NetworkTransformer.speciesLimit) {
String message = NetworkTransformer.getSpeciesLimitExceededMessage(outputSpec);
tcm = new TaskCallbackMessage(TaskCallbackStatus.Error, message);
simContext.appendToConsole(tcm);
simContext.setMd5hash(null);
message = "Unable to generate Math for Application " + simContext.getName() + ".\n" + message;
throw new RuntimeException(message);
}
if (outputSpec.getBNGReactions().length > NetworkTransformer.reactionsLimit) {
String message = NetworkTransformer.getReactionsLimitExceededMessage(outputSpec);
tcm = new TaskCallbackMessage(TaskCallbackStatus.Error, message);
simContext.appendToConsole(tcm);
simContext.setMd5hash(null);
message = "Unable to generate Math for Application " + simContext.getName() + ".\n" + message;
throw new RuntimeException(message);
}
// System.out.println("old hash: " + simContext.getMd5hash());
if (md5hash != null && md5hash.length() != 0 && outputSpec != null) {
System.out.println("saving hash and output spec");
synchronized (this) {
simContext.setMd5hash(md5hash);
simContext.setMostRecentlyCreatedOutputSpec(outputSpec);
}
} else {
System.out.println("something is wrong with the hash and/or output spec");
}
return (BNGOutputSpec) BeanUtils.cloneSerializable(outputSpec);
}
use of org.vcell.util.Pair in project vcell by virtualcell.
the class RbmNetworkGenerator method writeBngl_internal.
public static void writeBngl_internal(SimulationContext simulationContext, PrintWriter writer, Map<FakeReactionRuleRateParameter, LocalParameter> kineticsParameterMap, Map<FakeSeedSpeciesInitialConditionsParameter, Pair<SpeciesContext, Expression>> speciesEquivalenceMap, NetworkGenerationRequirements networkGenerationRequirements, CompartmentMode compartmentMode) {
String callerClassName = new Exception().getStackTrace()[1].getClassName();
String networkTransformerClassName = NetworkTransformer.class.getName();
String rulebasedTransformerClassName = RulebasedTransformer.class.getName();
if (!callerClassName.equals(networkTransformerClassName) && !callerClassName.equals(rulebasedTransformerClassName)) {
throw new UnsupportedOperationException("This method may only be called from within a " + networkTransformerClassName + " or " + rulebasedTransformerClassName + " instance.");
}
Model model = simulationContext.getModel();
RbmModelContainer rbmModelContainer = model.getRbmModelContainer();
checkConsistency(model);
// first we prepare the fake parameters we need to maintain the relationship between the species context and the seed species
List<FakeSeedSpeciesInitialConditionsParameter> fakeParameterList = new ArrayList<FakeSeedSpeciesInitialConditionsParameter>();
List<String> seedSpeciesList = new ArrayList<String>();
SpeciesContext[] speciesContexts = model.getSpeciesContexts();
for (int i = 0; i < speciesContexts.length; i++) {
SpeciesContext sc = speciesContexts[i];
if (!sc.hasSpeciesPattern()) {
continue;
}
SpeciesContextSpec scs = simulationContext.getReactionContext().getSpeciesContextSpec(sc);
Expression initialConcentration = scs.getParameter(SpeciesContextSpec.ROLE_InitialConcentration).getExpression();
// fake initial values for the seed species, we need to present them to bngl as parameters
FakeSeedSpeciesInitialConditionsParameter fakeSeedSpeciesParam = new FakeSeedSpeciesInitialConditionsParameter(sc.getName());
Pair<SpeciesContext, Expression> p = new Pair<SpeciesContext, Expression>(sc, initialConcentration);
speciesEquivalenceMap.put(fakeSeedSpeciesParam, p);
String modified;
if (compartmentMode == CompartmentMode.show) {
modified = RbmUtils.toBnglString(sc.getSpeciesPattern(), null, CompartmentMode.hide, 0);
modified = "@" + sc.getStructure().getName() + ":" + modified;
} else if (compartmentMode == CompartmentMode.asSite) {
modified = RbmUtils.toBnglString(sc.getSpeciesPattern(), sc.getStructure(), CompartmentMode.asSite, 0);
} else {
// CompartmentMode.hide
modified = RbmUtils.toBnglString(sc.getSpeciesPattern(), null, CompartmentMode.hide, 0);
}
modified += " " + fakeSeedSpeciesParam.fakeParameterName;
// we label the seed species with the index
modified = (i + 1) + " " + modified;
// we build the seed species list now, we write it later (in the BEGIN SPECIES block)
seedSpeciesList.add(modified);
fakeParameterList.add(fakeSeedSpeciesParam);
}
// second we produce the bngl file
writer.println(BEGIN_MODEL);
writer.println();
for (ReactionRuleSpec rrs : simulationContext.getReactionContext().getReactionRuleSpecs()) {
if (!rrs.isExcluded()) {
ReactionRule reactionRule = rrs.getReactionRule();
RbmKineticLaw kineticLaw = reactionRule.getKineticLaw();
switch(kineticLaw.getRateLawType()) {
case MassAction:
{
FakeReactionRuleRateParameter fakeRateParameterForward = new FakeReactionRuleRateParameter(reactionRule, RbmKineticLawParameterType.MassActionForwardRate);
LocalParameter origForwardRateParameter = kineticLaw.getLocalParameter(RbmKineticLawParameterType.MassActionForwardRate);
kineticsParameterMap.put(fakeRateParameterForward, origForwardRateParameter);
if (reactionRule.isReversible()) {
FakeReactionRuleRateParameter fakeRateParameterReverse = new FakeReactionRuleRateParameter(reactionRule, RbmKineticLawParameterType.MassActionReverseRate);
LocalParameter origReverseRateParameter = kineticLaw.getLocalParameter(RbmKineticLawParameterType.MassActionReverseRate);
kineticsParameterMap.put(fakeRateParameterReverse, origReverseRateParameter);
}
break;
}
default:
{
throw new RuntimeException("kinetic law type " + kineticLaw.getRateLawType().name() + " not yet implemented");
}
}
}
}
if (compartmentMode == CompartmentMode.show) {
RbmNetworkGenerator.writeCompartments(writer, model, simulationContext);
}
writer.println(BEGIN_PARAMETERS);
// the fake parameters used for reaction rule kinetics
for (FakeReactionRuleRateParameter p : kineticsParameterMap.keySet()) {
writer.println(p.fakeParameterName + "\t\t1");
}
// the fake parameters used at initial values for the seed species
for (FakeSeedSpeciesInitialConditionsParameter s : fakeParameterList) {
writer.println(s.fakeParameterName + "\t\t1");
}
writer.println(END_PARAMETERS);
writer.println();
RbmNetworkGenerator.writeMolecularTypes(writer, model, compartmentMode);
// write modified version of seed species while maintaining the connection between the species context and the real seed species
writer.println(BEGIN_SPECIES);
for (String s : seedSpeciesList) {
writer.println(s);
}
writer.println(END_SPECIES);
writer.println();
RbmNetworkGenerator.writeObservables(writer, rbmModelContainer, compartmentMode);
RbmNetworkGenerator.writeReactions_internal(writer, simulationContext, compartmentMode);
writer.println(END_MODEL);
writer.println();
if (callerClassName.equals(networkTransformerClassName)) {
RbmNetworkGenerator.writeNetworkConstraints(writer, rbmModelContainer, simulationContext, networkGenerationRequirements);
} else if (callerClassName.equals(rulebasedTransformerClassName)) {
writer.println();
writer.println("writeXML()");
}
writer.println();
}
Aggregations