use of cbit.vcell.mapping.MathSymbolMapping in project vcell by virtualcell.
the class ParameterMappingPanel method jMenuItemPaste_ActionPerformed.
/**
* Comment
*/
private void jMenuItemPaste_ActionPerformed(java.awt.event.ActionEvent actionEvent) {
java.util.Vector<String> pasteDescriptionsV = new java.util.Vector<String>();
java.util.Vector<Expression> newExpressionsV = new java.util.Vector<Expression>();
java.util.Vector<ParameterMappingSpec> changedParametersV = new java.util.Vector<ParameterMappingSpec>();
try {
if (actionEvent.getSource() == getJMenuItemPaste() || actionEvent.getSource() == getJMenuItemPasteAll()) {
Object pasteThis = VCellTransferable.getFromClipboard(VCellTransferable.OBJECT_FLAVOR);
SimulationContext sc = getParameterEstimationTask().getModelOptimizationSpec().getSimulationContext();
MathSymbolMapping msm = null;
Exception mathMappingException = null;
try {
MathMapping mm = sc.createNewMathMapping();
msm = mm.getMathSymbolMapping();
} catch (Exception e) {
mathMappingException = e;
e.printStackTrace(System.out);
}
// if(msm == null){
// try{
// getParameterEstimationTask().refreshMappings();
// msm = getParameterEstimationTask().getMathSymbolMapping();
// }catch(Exception e){
// e.printStackTrace();
// }
// }
int[] rows = null;
if (actionEvent.getSource() == getJMenuItemPasteAll()) {
rows = new int[getScrollPaneTable().getRowCount()];
for (int i = 0; i < rows.length; i += 1) {
rows[i] = i;
}
} else {
rows = getScrollPaneTable().getSelectedRows();
}
//
// Check paste
//
StringBuffer errors = null;
for (int i = 0; i < rows.length; i += 1) {
ParameterMappingSpec pms = parameterMappingTableModel.getValueAt(rows[i]);
try {
if (pasteThis instanceof VCellTransferable.ResolvedValuesSelection) {
VCellTransferable.ResolvedValuesSelection rvs = (VCellTransferable.ResolvedValuesSelection) pasteThis;
for (int j = 0; j < rvs.getPrimarySymbolTableEntries().length; j += 1) {
ParameterMappingSpec pasteDestination = null;
Parameter clipboardBiologicalParameter = null;
if (rvs.getPrimarySymbolTableEntries()[j] instanceof Parameter) {
clipboardBiologicalParameter = (Parameter) rvs.getPrimarySymbolTableEntries()[j];
} else if (rvs.getAlternateSymbolTableEntries() != null && rvs.getAlternateSymbolTableEntries()[j] instanceof Parameter) {
clipboardBiologicalParameter = (Parameter) rvs.getAlternateSymbolTableEntries()[j];
}
if (clipboardBiologicalParameter == null) {
Variable pastedMathVariable = null;
if (rvs.getPrimarySymbolTableEntries()[j] instanceof Variable) {
pastedMathVariable = (Variable) rvs.getPrimarySymbolTableEntries()[j];
} else if (rvs.getAlternateSymbolTableEntries() != null && rvs.getAlternateSymbolTableEntries()[j] instanceof Variable) {
pastedMathVariable = (Variable) rvs.getAlternateSymbolTableEntries()[j];
}
if (pastedMathVariable != null) {
if (msm == null) {
throw mathMappingException;
}
Variable localMathVariable = msm.findVariableByName(pastedMathVariable.getName());
if (localMathVariable != null) {
SymbolTableEntry[] localBiologicalSymbolArr = msm.getBiologicalSymbol(localMathVariable);
for (int k = 0; k < localBiologicalSymbolArr.length; k += 1) {
if (localBiologicalSymbolArr[k] == pms.getModelParameter()) {
pasteDestination = pms;
break;
}
}
}
}
} else {
if (pms.getModelParameter().getName().equals(clipboardBiologicalParameter.getName()) && pms.getModelParameter().getClass().equals(clipboardBiologicalParameter.getClass()) && pms.getModelParameter().getNameScope().getName().equals(clipboardBiologicalParameter.getNameScope().getName())) {
pasteDestination = pms;
}
}
if (pasteDestination != null) {
changedParametersV.add(pasteDestination);
newExpressionsV.add(rvs.getExpressionValues()[j]);
pasteDescriptionsV.add(VCellCopyPasteHelper.formatPasteList(pms.getModelParameter().getNameScope().getName(), pms.getModelParameter().getName(), pasteDestination.getCurrent() + "", rvs.getExpressionValues()[j].infix()));
}
}
}
} catch (Throwable e) {
if (errors == null) {
errors = new StringBuffer();
}
errors.append(pms.getModelParameter().getName() + " (" + e.getClass().getName() + ") " + e.getMessage() + "\n");
}
}
if (errors != null) {
throw new Exception(errors.toString());
}
}
} catch (Throwable e) {
PopupGenerator.showErrorDialog(this, "Paste failed during pre-check (no changes made).\n" + e.getMessage(), e);
return;
}
// Do paste
try {
if (pasteDescriptionsV.size() > 0) {
String[] pasteDescriptionArr = new String[pasteDescriptionsV.size()];
pasteDescriptionsV.copyInto(pasteDescriptionArr);
ParameterMappingSpec[] changedParametersArr = new ParameterMappingSpec[changedParametersV.size()];
changedParametersV.copyInto(changedParametersArr);
Expression[] newExpressionsArr = new Expression[newExpressionsV.size()];
newExpressionsV.copyInto(newExpressionsArr);
VCellCopyPasteHelper.chooseApplyPaste(this, pasteDescriptionArr, changedParametersArr, newExpressionsArr);
} else {
PopupGenerator.showInfoDialog(this, "No paste items match the destination (no changes made).");
}
} catch (Throwable e) {
PopupGenerator.showErrorDialog(this, "Paste Error\n" + e.getMessage(), e);
}
}
use of cbit.vcell.mapping.MathSymbolMapping in project vcell by virtualcell.
the class SEDMLExporter method translateBioModelToSedML.
private void translateBioModelToSedML(String savePath) {
sbmlFilePathStrAbsoluteList.clear();
// models
try {
SimulationContext[] simContexts = vcBioModel.getSimulationContexts();
cbit.vcell.model.Model vcModel = vcBioModel.getModel();
// "urn:sedml:language:sbml";
String sbmlLanguageURN = SUPPORTED_LANGUAGE.SBML_GENERIC.getURN();
String bioModelName = TokenMangler.mangleToSName(vcBioModel.getName());
// String usrHomeDirPath = ResourceUtil.getUserHomeDir().getAbsolutePath();
// to get Xpath string for variables.
SBMLSupport sbmlSupport = new SBMLSupport();
// for model count, task subcount
int simContextCnt = 0;
// for dtaGenerator count.
int varCount = 0;
boolean bSpeciesAddedAsDataGens = false;
String sedmlNotesStr = "";
for (SimulationContext simContext : simContexts) {
String simContextName = simContext.getName();
// export all applications that are not spatial stochastic
if (!(simContext.getGeometry().getDimension() > 0 && simContext.isStoch())) {
// to compute and set the sizes of the remaining structures.
if (!simContext.getGeometryContext().isAllSizeSpecifiedPositive()) {
Structure structure = simContext.getModel().getStructure(0);
double structureSize = 1.0;
StructureMapping structMapping = simContext.getGeometryContext().getStructureMapping(structure);
StructureSizeSolver.updateAbsoluteStructureSizes(simContext, structure, structureSize, structMapping.getSizeParameter().getUnitDefinition());
}
// Export the application itself to SBML, with default overrides
String sbmlString = null;
int level = 2;
int version = 4;
boolean isSpatial = simContext.getGeometry().getDimension() > 0 ? true : false;
SimulationJob simJob = null;
// if (simContext.getGeometry().getDimension() > 0) {
// sbmlString = XmlHelper.exportSBML(vcBioModel, 2, 4, 0, true, simContext, null);
// } else {
// sbmlString = XmlHelper.exportSBML(vcBioModel, 2, 4, 0, false, simContext, null);
// }
//
// TODO: we need to salvage from the SBMLExporter info about the fate of local parameters
// some of them may stay as locals, some others may become globals
// Any of these, if used in a repeated task or change or whatever, needs to be used in a consistent way,
// that is, if a param becomes a global in SBML, we need to refer at it in SEDML as the same global
//
// We'll use:
// Map<Pair <String reaction, String param>, String global> - if local converted to global
// Set<Pair <String reaction, String param>> (if needed?) - if local stays local
//
// local to global translation map
Map<Pair<String, String>, String> l2gMap = null;
if (vcBioModel instanceof BioModel) {
try {
// check if model to be exported to SBML has units compatible with SBML default units (default units in SBML can be assumed only until SBML Level2)
ModelUnitSystem forcedModelUnitSystem = simContext.getModel().getUnitSystem();
if (level < 3 && !ModelUnitSystem.isCompatibleWithDefaultSBMLLevel2Units(forcedModelUnitSystem)) {
forcedModelUnitSystem = ModelUnitSystem.createDefaultSBMLLevel2Units();
}
// create new Biomodel with new (SBML compatible) unit system
BioModel modifiedBiomodel = ModelUnitConverter.createBioModelWithNewUnitSystem(simContext.getBioModel(), forcedModelUnitSystem);
// extract the simContext from new Biomodel. Apply overrides to *this* modified simContext
SimulationContext simContextFromModifiedBioModel = modifiedBiomodel.getSimulationContext(simContext.getName());
SBMLExporter sbmlExporter = new SBMLExporter(modifiedBiomodel, level, version, isSpatial);
sbmlExporter.setSelectedSimContext(simContextFromModifiedBioModel);
// no sim job
sbmlExporter.setSelectedSimulationJob(null);
sbmlString = sbmlExporter.getSBMLFile();
l2gMap = sbmlExporter.getLocalToGlobalTranslationMap();
} catch (ExpressionException | SbmlException e) {
e.printStackTrace(System.out);
throw new XmlParseException(e);
}
} else {
throw new RuntimeException("unsupported Document Type " + vcBioModel.getClass().getName() + " for SBML export");
}
String sbmlFilePathStrAbsolute = savePath + FileUtils.WINDOWS_SEPARATOR + bioModelName + "_" + simContextName + ".xml";
String sbmlFilePathStrRelative = bioModelName + "_" + simContextName + ".xml";
XmlUtil.writeXMLStringToFile(sbmlString, sbmlFilePathStrAbsolute, true);
sbmlFilePathStrAbsoluteList.add(sbmlFilePathStrRelative);
String simContextId = TokenMangler.mangleToSName(simContextName);
sedmlModel.addModel(new Model(simContextId, simContextName, sbmlLanguageURN, sbmlFilePathStrRelative));
// required for mathOverrides, if any
MathMapping mathMapping = simContext.createNewMathMapping();
MathSymbolMapping mathSymbolMapping = mathMapping.getMathSymbolMapping();
// create sedml simulation objects and tasks (mapping each sim with current simContext)
int simCount = 0;
String taskRef = null;
int overrideCount = 0;
for (Simulation vcSimulation : simContext.getSimulations()) {
List<DataGenerator> dataGeneratorsOfSim = new ArrayList<DataGenerator>();
// if simContext is non-spatial stochastic, check if sim is histogram
SolverTaskDescription simTaskDesc = vcSimulation.getSolverTaskDescription();
if (simContext.getGeometry().getDimension() == 0 && simContext.isStoch()) {
long numOfTrials = simTaskDesc.getStochOpt().getNumOfTrials();
if (numOfTrials > 1) {
String msg = "\n\t" + simContextName + " ( " + vcSimulation.getName() + " ) : export of non-spatial stochastic simulation with histogram option to SEDML not supported at this time.";
sedmlNotesStr += msg;
continue;
}
}
// create Algorithm and sedmlSimulation (UniformtimeCourse)
SolverDescription vcSolverDesc = simTaskDesc.getSolverDescription();
// String kiSAOIdStr = getKiSAOIdFromSimulation(vcSolverDesc); // old way of doing it, going directly to the web site
String kiSAOIdStr = vcSolverDesc.getKisao();
Algorithm sedmlAlgorithm = new Algorithm(kiSAOIdStr);
TimeBounds vcSimTimeBounds = simTaskDesc.getTimeBounds();
double startingTime = vcSimTimeBounds.getStartingTime();
String simName = vcSimulation.getName();
UniformTimeCourse utcSim = new UniformTimeCourse(TokenMangler.mangleToSName(simName), simName, startingTime, startingTime, vcSimTimeBounds.getEndingTime(), (int) simTaskDesc.getExpectedNumTimePoints(), sedmlAlgorithm);
// if solver is not CVODE, add a note to utcSim to indicate actual solver name
if (!vcSolverDesc.equals(SolverDescription.CVODE)) {
String simNotesStr = "Actual Solver Name : '" + vcSolverDesc.getDisplayLabel() + "'.";
utcSim.addNote(createNotesElement(simNotesStr));
}
sedmlModel.addSimulation(utcSim);
// add SEDML tasks (map simulation to model:simContext)
// repeated tasks
MathOverrides mathOverrides = vcSimulation.getMathOverrides();
if (mathOverrides != null && mathOverrides.hasOverrides()) {
String[] overridenConstantNames = mathOverrides.getOverridenConstantNames();
String[] scannedConstantsNames = mathOverrides.getScannedConstantNames();
HashMap<String, String> scannedParamHash = new HashMap<String, String>();
HashMap<String, String> unscannedParamHash = new HashMap<String, String>();
for (String name : scannedConstantsNames) {
scannedParamHash.put(name, name);
}
for (String name : overridenConstantNames) {
if (!scannedParamHash.containsKey(name)) {
unscannedParamHash.put(name, name);
}
}
if (!unscannedParamHash.isEmpty() && scannedParamHash.isEmpty()) {
// only parameters with simple overrides (numeric/expression) no scans
// create new model with change for each parameter that has override; add simple task
String overriddenSimContextId = simContextId + "_" + overrideCount;
String overriddenSimContextName = simContextName + " modified";
Model sedModel = new Model(overriddenSimContextId, overriddenSimContextName, sbmlLanguageURN, simContextId);
overrideCount++;
for (String unscannedParamName : unscannedParamHash.values()) {
SymbolTableEntry ste = getSymbolTableEntryForModelEntity(mathSymbolMapping, unscannedParamName);
Expression unscannedParamExpr = mathOverrides.getActualExpression(unscannedParamName, 0);
if (unscannedParamExpr.isNumeric()) {
// if expression is numeric, add ChangeAttribute to model created above
XPathTarget targetXpath = getTargetAttributeXPath(ste, l2gMap);
ChangeAttribute changeAttribute = new ChangeAttribute(targetXpath, unscannedParamExpr.infix());
sedModel.addChange(changeAttribute);
} else {
// non-numeric expression : add 'computeChange' to modified model
ASTNode math = Libsedml.parseFormulaString(unscannedParamExpr.infix());
XPathTarget targetXpath = getTargetXPath(ste, l2gMap);
ComputeChange computeChange = new ComputeChange(targetXpath, math);
String[] exprSymbols = unscannedParamExpr.getSymbols();
for (String symbol : exprSymbols) {
String symbolName = TokenMangler.mangleToSName(symbol);
SymbolTableEntry ste1 = vcModel.getEntry(symbol);
if (ste != null) {
if (ste1 instanceof SpeciesContext || ste1 instanceof Structure || ste1 instanceof ModelParameter) {
XPathTarget ste1_XPath = getTargetXPath(ste1, l2gMap);
org.jlibsedml.Variable sedmlVar = new org.jlibsedml.Variable(symbolName, symbolName, taskRef, ste1_XPath.getTargetAsString());
computeChange.addVariable(sedmlVar);
} else {
double doubleValue = 0.0;
if (ste1 instanceof ReservedSymbol) {
doubleValue = getReservedSymbolValue(ste1);
}
Parameter sedmlParameter = new Parameter(symbolName, symbolName, doubleValue);
computeChange.addParameter(sedmlParameter);
}
} else {
throw new RuntimeException("Symbol '" + symbol + "' used in expression for '" + unscannedParamName + "' not found in model.");
}
}
sedModel.addChange(computeChange);
}
}
sedmlModel.addModel(sedModel);
String taskId = "tsk_" + simContextCnt + "_" + simCount;
Task sedmlTask = new Task(taskId, taskId, sedModel.getId(), utcSim.getId());
sedmlModel.addTask(sedmlTask);
// to be used later to add dataGenerators : one set of DGs per model (simContext).
taskRef = taskId;
} else if (!scannedParamHash.isEmpty() && unscannedParamHash.isEmpty()) {
// only parameters with scans : only add 1 Task and 1 RepeatedTask
String taskId = "tsk_" + simContextCnt + "_" + simCount;
Task sedmlTask = new Task(taskId, taskId, simContextId, utcSim.getId());
sedmlModel.addTask(sedmlTask);
String repeatedTaskId = "repTsk_" + simContextCnt + "_" + simCount;
// TODO: temporary solution - we use as range here the first range
String scn = scannedConstantsNames[0];
String rId = "range_" + simContextCnt + "_" + simCount + "_" + scn;
RepeatedTask rt = new RepeatedTask(repeatedTaskId, repeatedTaskId, true, rId);
// to be used later to add dataGenerators - in our case it has to be the repeated task
taskRef = repeatedTaskId;
SubTask subTask = new SubTask("0", taskId);
rt.addSubtask(subTask);
for (String scannedConstName : scannedConstantsNames) {
ConstantArraySpec constantArraySpec = mathOverrides.getConstantArraySpec(scannedConstName);
String rangeId = "range_" + simContextCnt + "_" + simCount + "_" + scannedConstName;
// list of Ranges, if sim is parameter scan.
if (constantArraySpec != null) {
Range r = null;
System.out.println(" " + constantArraySpec.toString());
if (constantArraySpec.getType() == ConstantArraySpec.TYPE_INTERVAL) {
// ------ Uniform Range
r = new UniformRange(rangeId, constantArraySpec.getMinValue(), constantArraySpec.getMaxValue(), constantArraySpec.getNumValues());
rt.addRange(r);
} else {
// ----- Vector Range
cbit.vcell.math.Constant[] cs = constantArraySpec.getConstants();
ArrayList<Double> values = new ArrayList<Double>();
for (int i = 0; i < cs.length; i++) {
String value = cs[i].getExpression().infix();
values.add(Double.parseDouble(value));
}
r = new VectorRange(rangeId, values);
rt.addRange(r);
}
// list of Changes
SymbolTableEntry ste = getSymbolTableEntryForModelEntity(mathSymbolMapping, scannedConstName);
XPathTarget target = getTargetXPath(ste, l2gMap);
// ASTNode math1 = new ASTCi(r.getId()); // was scannedConstName
ASTNode math1 = Libsedml.parseFormulaString(r.getId());
SetValue setValue = new SetValue(target, r.getId(), simContextId);
setValue.setMath(math1);
rt.addChange(setValue);
} else {
throw new RuntimeException("No scan ranges found for scanned parameter : '" + scannedConstName + "'.");
}
}
sedmlModel.addTask(rt);
} else {
// both scanned and simple parameters : create new model with change for each simple override; add RepeatedTask
// create new model with change for each unscanned parameter that has override
String overriddenSimContextId = simContextId + "_" + overrideCount;
String overriddenSimContextName = simContextName + " modified";
Model sedModel = new Model(overriddenSimContextId, overriddenSimContextName, sbmlLanguageURN, simContextId);
overrideCount++;
String taskId = "tsk_" + simContextCnt + "_" + simCount;
Task sedmlTask = new Task(taskId, taskId, overriddenSimContextId, utcSim.getId());
sedmlModel.addTask(sedmlTask);
// scanned parameters
String repeatedTaskId = "repTsk_" + simContextCnt + "_" + simCount;
// TODO: temporary solution - we use as range here the first range
String scn = scannedConstantsNames[0];
String rId = "range_" + simContextCnt + "_" + simCount + "_" + scn;
RepeatedTask rt = new RepeatedTask(repeatedTaskId, repeatedTaskId, true, rId);
// to be used later to add dataGenerators - in our case it has to be the repeated task
taskRef = repeatedTaskId;
SubTask subTask = new SubTask("0", taskId);
rt.addSubtask(subTask);
for (String scannedConstName : scannedConstantsNames) {
ConstantArraySpec constantArraySpec = mathOverrides.getConstantArraySpec(scannedConstName);
String rangeId = "range_" + simContextCnt + "_" + simCount + "_" + scannedConstName;
// list of Ranges, if sim is parameter scan.
if (constantArraySpec != null) {
Range r = null;
System.out.println(" " + constantArraySpec.toString());
if (constantArraySpec.getType() == ConstantArraySpec.TYPE_INTERVAL) {
// ------ Uniform Range
r = new UniformRange(rangeId, constantArraySpec.getMinValue(), constantArraySpec.getMaxValue(), constantArraySpec.getNumValues());
rt.addRange(r);
} else {
// ----- Vector Range
cbit.vcell.math.Constant[] cs = constantArraySpec.getConstants();
ArrayList<Double> values = new ArrayList<Double>();
for (int i = 0; i < cs.length; i++) {
String value = cs[i].getExpression().infix() + ", ";
values.add(Double.parseDouble(value));
}
r = new VectorRange(rangeId, values);
rt.addRange(r);
}
// use scannedParamHash to store rangeId for that param, since it might be needed if unscanned param has a scanned param in expr.
if (scannedParamHash.get(scannedConstName).equals(scannedConstName)) {
// the hash was originally populated as <scannedParamName, scannedParamName>. Replace 'value' with rangeId for scannedParam
scannedParamHash.put(scannedConstName, r.getId());
}
// create setValue for scannedConstName
SymbolTableEntry ste2 = getSymbolTableEntryForModelEntity(mathSymbolMapping, scannedConstName);
XPathTarget target1 = getTargetXPath(ste2, l2gMap);
ASTNode math1 = new ASTCi(scannedConstName);
SetValue setValue1 = new SetValue(target1, r.getId(), sedModel.getId());
setValue1.setMath(math1);
rt.addChange(setValue1);
} else {
throw new RuntimeException("No scan ranges found for scanned parameter : '" + scannedConstName + "'.");
}
}
// for unscanned parameter overrides
for (String unscannedParamName : unscannedParamHash.values()) {
SymbolTableEntry ste = getSymbolTableEntryForModelEntity(mathSymbolMapping, unscannedParamName);
Expression unscannedParamExpr = mathOverrides.getActualExpression(unscannedParamName, 0);
if (unscannedParamExpr.isNumeric()) {
// if expression is numeric, add ChangeAttribute to model created above
XPathTarget targetXpath = getTargetAttributeXPath(ste, l2gMap);
ChangeAttribute changeAttribute = new ChangeAttribute(targetXpath, unscannedParamExpr.infix());
sedModel.addChange(changeAttribute);
} else {
// check for any scanned parameter in unscanned parameter expression
ASTNode math = Libsedml.parseFormulaString(unscannedParamExpr.infix());
String[] exprSymbols = unscannedParamExpr.getSymbols();
boolean bHasScannedParameter = false;
String scannedParamNameInUnscannedParamExp = null;
for (String symbol : exprSymbols) {
if (scannedParamHash.get(symbol) != null) {
bHasScannedParameter = true;
scannedParamNameInUnscannedParamExp = new String(symbol);
// @TODO check for multiple scannedParameters in expression.
break;
}
}
// (scanned parameter in expr) ? (add setValue for unscanned param in repeatedTask) : (add computeChange to modifiedModel)
if (bHasScannedParameter && scannedParamNameInUnscannedParamExp != null) {
// create setValue for unscannedParamName (which contains a scanned param in its expression)
SymbolTableEntry entry = getSymbolTableEntryForModelEntity(mathSymbolMapping, unscannedParamName);
XPathTarget target = getTargetXPath(entry, l2gMap);
String rangeId = scannedParamHash.get(scannedParamNameInUnscannedParamExp);
// @TODO: we have no range??
SetValue setValue = new SetValue(target, rangeId, sedModel.getId());
setValue.setMath(math);
rt.addChange(setValue);
} else {
// non-numeric expression : add 'computeChange' to modified model
XPathTarget targetXpath = getTargetXPath(ste, l2gMap);
ComputeChange computeChange = new ComputeChange(targetXpath, math);
for (String symbol : exprSymbols) {
String symbolName = TokenMangler.mangleToSName(symbol);
SymbolTableEntry ste1 = vcModel.getEntry(symbol);
// ste1 could be a math parameter, hence the above could return null
if (ste1 == null) {
ste1 = simContext.getMathDescription().getEntry(symbol);
}
if (ste1 != null) {
if (ste1 instanceof SpeciesContext || ste1 instanceof Structure || ste1 instanceof ModelParameter) {
XPathTarget ste1_XPath = getTargetXPath(ste1, l2gMap);
org.jlibsedml.Variable sedmlVar = new org.jlibsedml.Variable(symbolName, symbolName, taskRef, ste1_XPath.getTargetAsString());
computeChange.addVariable(sedmlVar);
} else {
double doubleValue = 0.0;
if (ste1 instanceof ReservedSymbol) {
doubleValue = getReservedSymbolValue(ste1);
} else if (ste instanceof Function) {
try {
doubleValue = ste.getExpression().evaluateConstant();
} catch (Exception e) {
e.printStackTrace(System.out);
throw new RuntimeException("Unable to evaluate function '" + ste.getName() + "' used in '" + unscannedParamName + "' expression : ", e);
}
} else {
doubleValue = ste.getConstantValue();
}
// TODO: shouldn't be s1_init_uM which is a math symbol, should be s0 (so use the ste-something from above)
// TODO: revert to Variable, not Parameter
Parameter sedmlParameter = new Parameter(symbolName, symbolName, doubleValue);
computeChange.addParameter(sedmlParameter);
}
} else {
throw new RuntimeException("Symbol '" + symbol + "' used in expression for '" + unscannedParamName + "' not found in model.");
}
}
sedModel.addChange(computeChange);
}
}
}
sedmlModel.addModel(sedModel);
sedmlModel.addTask(rt);
}
} else {
// no math overrides, add basic task.
String taskId = "tsk_" + simContextCnt + "_" + simCount;
Task sedmlTask = new Task(taskId, taskId, simContextId, utcSim.getId());
sedmlModel.addTask(sedmlTask);
// to be used later to add dataGenerators : one set of DGs per model (simContext).
taskRef = taskId;
}
// add one dataGenerator for 'time' for entire SEDML model.
// (using the id of the first task in model for 'taskRef' field of var since
String timeDataGenPrefix = DATAGENERATOR_TIME_NAME + "_" + taskRef;
DataGenerator timeDataGen = sedmlModel.getDataGeneratorWithId(timeDataGenPrefix);
if (timeDataGen == null) {
// org.jlibsedml.Variable timeVar = new org.jlibsedml.Variable(DATAGENERATOR_TIME_SYMBOL, DATAGENERATOR_TIME_SYMBOL, sedmlModel.getTasks().get(0).getId(), VariableSymbol.TIME);
org.jlibsedml.Variable timeVar = new org.jlibsedml.Variable(DATAGENERATOR_TIME_SYMBOL, DATAGENERATOR_TIME_SYMBOL, taskRef, VariableSymbol.TIME);
ASTNode math = Libsedml.parseFormulaString(DATAGENERATOR_TIME_SYMBOL);
timeDataGen = new DataGenerator(timeDataGenPrefix, timeDataGenPrefix, math);
timeDataGen.addVariable(timeVar);
sedmlModel.addDataGenerator(timeDataGen);
dataGeneratorsOfSim.add(timeDataGen);
}
// add dataGenerators for species
// get species list from SBML model.
String dataGenIdPrefix = "dataGen_" + taskRef;
String[] varNamesList = SimSpec.fromSBML(sbmlString).getVarsList();
for (String varName : varNamesList) {
org.jlibsedml.Variable sedmlVar = new org.jlibsedml.Variable(varName, varName, taskRef, sbmlSupport.getXPathForSpecies(varName));
ASTNode varMath = Libsedml.parseFormulaString(varName);
// "dataGen_" + varCount; - old code
String dataGenId = dataGenIdPrefix + "_" + TokenMangler.mangleToSName(varName);
DataGenerator dataGen = new DataGenerator(dataGenId, dataGenId, varMath);
dataGen.addVariable(sedmlVar);
sedmlModel.addDataGenerator(dataGen);
dataGeneratorsOfSim.add(dataGen);
varCount++;
}
// add DataGenerators for output functions here
ArrayList<AnnotatedFunction> outputFunctions = simContext.getOutputFunctionContext().getOutputFunctionsList();
for (AnnotatedFunction annotatedFunction : outputFunctions) {
Expression functionExpr = annotatedFunction.getExpression();
ASTNode funcMath = Libsedml.parseFormulaString(functionExpr.infix());
// "dataGen_" + varCount; - old code
String dataGenId = dataGenIdPrefix + "_" + TokenMangler.mangleToSName(annotatedFunction.getName());
DataGenerator dataGen = new DataGenerator(dataGenId, dataGenId, funcMath);
String[] functionSymbols = functionExpr.getSymbols();
for (String symbol : functionSymbols) {
String symbolName = TokenMangler.mangleToSName(symbol);
// try to get symbol from model, if null, try simContext.mathDesc
SymbolTableEntry ste = vcModel.getEntry(symbol);
if (ste == null) {
ste = simContext.getMathDescription().getEntry(symbol);
}
if (ste instanceof SpeciesContext || ste instanceof Structure || ste instanceof ModelParameter) {
XPathTarget targetXPath = getTargetXPath(ste, l2gMap);
org.jlibsedml.Variable sedmlVar = new org.jlibsedml.Variable(symbolName, symbolName, taskRef, targetXPath.getTargetAsString());
dataGen.addVariable(sedmlVar);
} else {
double value = 0.0;
if (ste instanceof Function) {
try {
value = ste.getExpression().evaluateConstant();
} catch (Exception e) {
e.printStackTrace(System.out);
throw new RuntimeException("Unable to evaluate function '" + ste.getName() + "' for output function '" + annotatedFunction.getName() + "'.", e);
}
} else {
value = ste.getConstantValue();
}
Parameter sedmlParameter = new Parameter(symbolName, symbolName, value);
dataGen.addParameter(sedmlParameter);
}
}
sedmlModel.addDataGenerator(dataGen);
dataGeneratorsOfSim.add(dataGen);
varCount++;
}
simCount++;
// ignoring output for spatial deterministic (spatial stochastic is not exported to SEDML) and non-spatial stochastic applications with histogram
if (!(simContext.getGeometry().getDimension() > 0)) {
// ignore Output (Plot2d) for non-spatial stochastic simulation with histogram.
boolean bSimHasHistogram = false;
if (simContext.isStoch()) {
long numOfTrials = simTaskDesc.getStochOpt().getNumOfTrials();
if (numOfTrials > 1) {
// not histogram {
bSimHasHistogram = true;
}
}
if (!bSimHasHistogram) {
String plot2dId = "plot2d_" + TokenMangler.mangleToSName(vcSimulation.getName());
Plot2D sedmlPlot2d = new Plot2D(plot2dId, simContext.getName() + "plots");
sedmlPlot2d.addNote(createNotesElement("Plot of all variables and output functions from application '" + simContext.getName() + "' ; simulation '" + vcSimulation.getName() + "' in VCell model"));
List<DataGenerator> dataGenerators = sedmlModel.getDataGenerators();
String xDataRef = sedmlModel.getDataGeneratorWithId(DATAGENERATOR_TIME_NAME + "_" + taskRef).getId();
// add a curve for each dataGenerator in SEDML model
int curveCnt = 0;
for (DataGenerator dataGenerator : dataGeneratorsOfSim) {
// no curve for time, since time is xDateReference
if (dataGenerator.getId().equals(xDataRef)) {
continue;
}
String curveId = "curve_" + curveCnt++;
Curve curve = new Curve(curveId, curveId, false, false, xDataRef, dataGenerator.getId());
sedmlPlot2d.addCurve(curve);
}
sedmlModel.addOutput(sedmlPlot2d);
}
}
}
// end - for 'sims'
} else {
// end if (!(simContext.getGeometry().getDimension() > 0 && simContext.isStoch()))
String msg = "\n\t" + simContextName + " : export of spatial stochastic (Smoldyn solver) applications to SEDML not supported at this time.";
sedmlNotesStr += msg;
}
// end : if-else simContext is not spatial stochastic
simContextCnt++;
}
// if sedmlNotesStr is not null, there were some applications that could not be exported to SEDML (eg., spatial stochastic). Create a notes element and add it to sedml Model.
if (sedmlNotesStr.length() > 0) {
sedmlNotesStr = "\n\tThe following applications in the VCell model were not exported to VCell : " + sedmlNotesStr;
sedmlModel.addNote(createNotesElement(sedmlNotesStr));
}
// error check : if there are no non-spatial deterministic applications (=> no models in SEDML document), complain.
if (sedmlModel.getModels().isEmpty()) {
throw new RuntimeException("No applications in biomodel to export to Sedml.");
}
} catch (Exception e) {
e.printStackTrace(System.out);
throw new RuntimeException("Error adding model to SEDML document : " + e.getMessage());
}
}
use of cbit.vcell.mapping.MathSymbolMapping in project vcell by virtualcell.
the class XmlHelper method applyOverridesForSBML.
/**
* applyOverrides: private method to apply overrides from the simulation in 'simJob' to simContext, if any.
* Start off by cloning biomodel, since all the references are required in cloned simContext and is
* best retained by cloning biomodel.
* @param bm - biomodel to be cloned
* @param sc - simulationContext to be cloned and overridden using math overrides in simulation
* @param simJob - simulationJob from where simulation with overrides is obtained.
* @return
*/
public static SimulationContext applyOverridesForSBML(BioModel bm, SimulationContext sc, SimulationJob simJob) {
SimulationContext overriddenSimContext = sc;
if (simJob != null) {
Simulation sim = simJob.getSimulation();
// need to clone Biomodel, simContext, etc. only if simulation has override(s)
try {
if (sim != null && sim.getMathOverrides().hasOverrides()) {
// BioModel clonedBM = (BioModel)BeanUtils.cloneSerializable(bm);
BioModel clonedBM = XMLToBioModel(new XMLSource(bioModelToXML(bm)));
clonedBM.refreshDependencies();
// get the simContext in cloned Biomodel that corresponds to 'sc'
SimulationContext[] simContexts = clonedBM.getSimulationContexts();
for (int i = 0; i < simContexts.length; i++) {
if (simContexts[i].getName().equals(sc.getName())) {
overriddenSimContext = simContexts[i];
break;
}
}
//
overriddenSimContext.getModel().refreshDependencies();
overriddenSimContext.refreshDependencies();
MathMapping mathMapping = overriddenSimContext.createNewMathMapping();
MathSymbolMapping msm = mathMapping.getMathSymbolMapping();
MathOverrides mathOverrides = sim.getMathOverrides();
String[] moConstNames = mathOverrides.getOverridenConstantNames();
for (int i = 0; i < moConstNames.length; i++) {
cbit.vcell.math.Constant overriddenConstant = mathOverrides.getConstant(moConstNames[i]);
// Expression overriddenExpr = mathOverrides.getActualExpression(moConstNames[i], 0);
Expression overriddenExpr = mathOverrides.getActualExpression(moConstNames[i], simJob.getJobIndex());
// The above constant (from mathoverride) is not the same instance as the one in the MathSymbolMapping hash.
// Hence retreive the correct instance from mathSymbolMapping (mathMapping -> mathDescription) and use it to
// retrieve its value (symbolTableEntry) from hash.
cbit.vcell.math.Variable overriddenVar = msm.findVariableByName(overriddenConstant.getName());
cbit.vcell.parser.SymbolTableEntry[] stes = msm.getBiologicalSymbol(overriddenVar);
if (stes == null) {
throw new NullPointerException("No matching biological symbol for : " + overriddenConstant.getName());
}
if (stes.length > 1) {
throw new RuntimeException("Cannot have more than one mapping entry for constant : " + overriddenConstant.getName());
}
if (stes[0] instanceof Parameter) {
Parameter param = (Parameter) stes[0];
if (param.isExpressionEditable()) {
if (param instanceof Kinetics.KineticsParameter) {
// Kinetics param has to be set separately for the integrity of the kinetics object
Kinetics.KineticsParameter kinParam = (Kinetics.KineticsParameter) param;
ReactionStep[] rs = overriddenSimContext.getModel().getReactionSteps();
for (int j = 0; j < rs.length; j++) {
if (rs[j].getNameScope().getName().equals(kinParam.getNameScope().getName())) {
rs[j].getKinetics().setParameterValue(kinParam, overriddenExpr);
}
}
} else if (param instanceof cbit.vcell.model.ExpressionContainer) {
// If it is any other editable param, set its expression with the
((cbit.vcell.model.ExpressionContainer) param).setExpression(overriddenExpr);
}
}
}
// end - if (stes[0] is Parameter)
}
// end - for moConstNames
}
// end if (sim has MathOverrides)
} catch (Exception e) {
e.printStackTrace(System.out);
throw new RuntimeException("Could not apply overrides from simulation to application parameters : " + e.getMessage());
}
}
// end if (simJob != null)
return overriddenSimContext;
}
use of cbit.vcell.mapping.MathSymbolMapping in project vcell by virtualcell.
the class InitialConditionsPanel method jMenuItemCopy_ActionPerformed.
/**
* Comment
*/
private void jMenuItemCopy_ActionPerformed(java.awt.event.ActionEvent actionEvent) {
if (actionEvent.getSource() == getJMenuItemCopy() || actionEvent.getSource() == getJMenuItemCopyAll()) {
try {
//
// Copy Symbols and Values Init Conditions
//
int[] rows = null;
if (actionEvent.getSource() == getJMenuItemCopyAll()) {
rows = new int[getScrollPaneTable().getRowCount()];
for (int i = 0; i < rows.length; i += 1) {
rows[i] = i;
}
} else {
rows = getScrollPaneTable().getSelectedRows();
}
MathSymbolMapping msm = null;
try {
msm = getSimulationContext().createNewMathMapping().getMathSymbolMapping();
} catch (Exception e) {
e.printStackTrace(System.out);
DialogUtils.showWarningDialog(this, "current math not valid, some paste operations will be limited\n\nreason: " + e.getMessage());
}
StringBuffer sb = new StringBuffer();
sb.append("initial Conditions Parameters for (BioModel)" + getSimulationContext().getBioModel().getName() + " (App)" + getSimulationContext().getName() + "\n");
java.util.Vector<SymbolTableEntry> primarySymbolTableEntriesV = new java.util.Vector<SymbolTableEntry>();
java.util.Vector<SymbolTableEntry> alternateSymbolTableEntriesV = new java.util.Vector<SymbolTableEntry>();
java.util.Vector<Expression> resolvedValuesV = new java.util.Vector<Expression>();
for (int i = 0; i < rows.length; i += 1) {
SpeciesContextSpec scs = tableModel.getValueAt(rows[i]);
if (scs.isConstant()) {
// need to change
primarySymbolTableEntriesV.add(scs.getInitialConditionParameter());
if (msm != null) {
alternateSymbolTableEntriesV.add(msm.getVariable(scs.getSpeciesContext()));
} else {
alternateSymbolTableEntriesV.add(null);
}
resolvedValuesV.add(new Expression(scs.getInitialConditionParameter().getExpression()));
sb.append(scs.getSpeciesContext().getName() + "\t" + scs.getInitialConditionParameter().getName() + "\t" + scs.getInitialConditionParameter().getExpression().infix() + "\n");
} else {
for (int j = 0; j < scs.getParameters().length; j += 1) {
SpeciesContextSpec.SpeciesContextSpecParameter scsp = (SpeciesContextSpec.SpeciesContextSpecParameter) scs.getParameters()[j];
if (VCellCopyPasteHelper.isSCSRoleForDimension(scsp.getRole(), getSimulationContext().getGeometry().getDimension())) {
Expression scspExpression = scsp.getExpression();
sb.append(scs.getSpeciesContext().getName() + "\t" + scsp.getName() + "\t" + (scspExpression != null ? scspExpression.infix() : "") + "\n");
if (scspExpression != null) {
// "Default" boundary conditions can't be copied
primarySymbolTableEntriesV.add(scsp);
if (msm != null) {
alternateSymbolTableEntriesV.add(msm.getVariable(scsp));
} else {
alternateSymbolTableEntriesV.add(null);
}
resolvedValuesV.add(new Expression(scspExpression));
}
}
}
}
}
//
// Send to clipboard
//
VCellTransferable.ResolvedValuesSelection rvs = new VCellTransferable.ResolvedValuesSelection((SymbolTableEntry[]) BeanUtils.getArray(primarySymbolTableEntriesV, SymbolTableEntry.class), (SymbolTableEntry[]) BeanUtils.getArray(alternateSymbolTableEntriesV, SymbolTableEntry.class), (Expression[]) BeanUtils.getArray(resolvedValuesV, Expression.class), sb.toString());
VCellTransferable.sendToClipboard(rvs);
} catch (Throwable e) {
PopupGenerator.showErrorDialog(InitialConditionsPanel.this, "InitialConditionsPanel Copy failed. " + e.getMessage(), e);
}
}
}
use of cbit.vcell.mapping.MathSymbolMapping in project vcell by virtualcell.
the class InitialConditionsPanel method jMenuItemPaste_ActionPerformed.
/**
* Comment
*/
private void jMenuItemPaste_ActionPerformed(final java.awt.event.ActionEvent actionEvent) {
final Vector<String> pasteDescriptionsV = new Vector<String>();
final Vector<Expression> newExpressionsV = new Vector<Expression>();
final Vector<SpeciesContextSpec.SpeciesContextSpecParameter> changedParametersV = new Vector<SpeciesContextSpec.SpeciesContextSpecParameter>();
AsynchClientTask task1 = new AsynchClientTask("validating", AsynchClientTask.TASKTYPE_NONSWING_BLOCKING) {
@Override
public void run(Hashtable<String, Object> hashTable) throws Exception {
if (actionEvent.getSource() == getJMenuItemPaste() || actionEvent.getSource() == getJMenuItemPasteAll()) {
Object pasteThis = VCellTransferable.getFromClipboard(VCellTransferable.OBJECT_FLAVOR);
MathSymbolMapping msm = null;
Exception mathMappingException = null;
try {
MathMapping mm = null;
mm = getSimulationContext().createNewMathMapping();
msm = mm.getMathSymbolMapping();
} catch (Exception e) {
mathMappingException = e;
e.printStackTrace(System.out);
}
int[] rows = null;
if (actionEvent.getSource() == getJMenuItemPasteAll()) {
rows = new int[getScrollPaneTable().getRowCount()];
for (int i = 0; i < rows.length; i += 1) {
rows[i] = i;
}
} else {
rows = getScrollPaneTable().getSelectedRows();
}
//
// Check paste
//
StringBuffer errors = null;
for (int i = 0; i < rows.length; i += 1) {
SpeciesContextSpec scs = tableModel.getValueAt(rows[i]);
try {
if (pasteThis instanceof VCellTransferable.ResolvedValuesSelection) {
VCellTransferable.ResolvedValuesSelection rvs = (VCellTransferable.ResolvedValuesSelection) pasteThis;
for (int j = 0; j < rvs.getPrimarySymbolTableEntries().length; j += 1) {
SpeciesContextSpec.SpeciesContextSpecParameter pasteDestination = null;
SpeciesContextSpec.SpeciesContextSpecParameter clipboardBiologicalParameter = null;
if (rvs.getPrimarySymbolTableEntries()[j] instanceof SpeciesContextSpec.SpeciesContextSpecParameter) {
clipboardBiologicalParameter = (SpeciesContextSpec.SpeciesContextSpecParameter) rvs.getPrimarySymbolTableEntries()[j];
} else if (rvs.getAlternateSymbolTableEntries() != null && rvs.getAlternateSymbolTableEntries()[j] instanceof SpeciesContextSpec.SpeciesContextSpecParameter) {
clipboardBiologicalParameter = (SpeciesContextSpec.SpeciesContextSpecParameter) rvs.getAlternateSymbolTableEntries()[j];
}
if (clipboardBiologicalParameter == null) {
Variable pastedMathVariable = null;
if (rvs.getPrimarySymbolTableEntries()[j] instanceof Variable) {
pastedMathVariable = (Variable) rvs.getPrimarySymbolTableEntries()[j];
} else if (rvs.getAlternateSymbolTableEntries() != null && rvs.getAlternateSymbolTableEntries()[j] instanceof Variable) {
pastedMathVariable = (Variable) rvs.getAlternateSymbolTableEntries()[j];
}
if (pastedMathVariable != null) {
if (msm == null) {
throw mathMappingException;
}
Variable localMathVariable = msm.findVariableByName(pastedMathVariable.getName());
if (localMathVariable == null) {
// try if localMathVariable is a speciesContext init parameter
String initSuffix = DiffEquMathMapping.MATH_FUNC_SUFFIX_SPECIES_INIT_CONC_UNIT_PREFIX + TokenMangler.fixTokenStrict(scs.getInitialConcentrationParameter().getUnitDefinition().getSymbol());
localMathVariable = msm.findVariableByName(pastedMathVariable.getName() + initSuffix);
}
if (localMathVariable != null) {
SymbolTableEntry[] localBiologicalSymbolArr = msm.getBiologicalSymbol(localMathVariable);
for (int k = 0; k < localBiologicalSymbolArr.length; k += 1) {
if (localBiologicalSymbolArr[k] instanceof SpeciesContext && scs.getSpeciesContext() == localBiologicalSymbolArr[k]) {
// need to change
pasteDestination = scs.getInitialConditionParameter();
} else if (localBiologicalSymbolArr[k] instanceof SpeciesContextSpec.SpeciesContextSpecParameter) {
for (int l = 0; l < scs.getParameters().length; l += 1) {
if (scs.getParameters()[l] == localBiologicalSymbolArr[k]) {
pasteDestination = (SpeciesContextSpec.SpeciesContextSpecParameter) localBiologicalSymbolArr[k];
break;
}
}
}
if (pasteDestination != null) {
break;
}
}
}
}
} else {
for (int k = 0; k < scs.getParameters().length; k += 1) {
SpeciesContextSpec.SpeciesContextSpecParameter scsp = (SpeciesContextSpec.SpeciesContextSpecParameter) scs.getParameters()[k];
if (scsp.getRole() == clipboardBiologicalParameter.getRole() && scs.getSpeciesContext().compareEqual(((SpeciesContextSpec) clipboardBiologicalParameter.getNameScope().getScopedSymbolTable()).getSpeciesContext())) {
pasteDestination = (SpeciesContextSpec.SpeciesContextSpecParameter) scsp;
}
}
}
if (pasteDestination != null) {
changedParametersV.add(pasteDestination);
newExpressionsV.add(rvs.getExpressionValues()[j]);
pasteDescriptionsV.add(VCellCopyPasteHelper.formatPasteList(scs.getSpeciesContext().getName(), pasteDestination.getName(), pasteDestination.getExpression().infix(), rvs.getExpressionValues()[j].infix()));
}
}
}
} catch (Throwable e) {
if (errors == null) {
errors = new StringBuffer();
}
errors.append(scs.getSpeciesContext().getName() + " (" + e.getClass().getName() + ") " + e.getMessage() + "\n\n");
}
}
if (errors != null) {
throw new Exception(errors.toString());
}
}
}
};
AsynchClientTask task2 = new AsynchClientTask("pasting", AsynchClientTask.TASKTYPE_SWING_BLOCKING) {
@Override
public void run(Hashtable<String, Object> hashTable) throws Exception {
// Do paste
if (pasteDescriptionsV.size() > 0) {
String[] pasteDescriptionArr = new String[pasteDescriptionsV.size()];
pasteDescriptionsV.copyInto(pasteDescriptionArr);
SpeciesContextSpec.SpeciesContextSpecParameter[] changedParametersArr = new SpeciesContextSpec.SpeciesContextSpecParameter[changedParametersV.size()];
changedParametersV.copyInto(changedParametersArr);
Expression[] newExpressionsArr = new Expression[newExpressionsV.size()];
newExpressionsV.copyInto(newExpressionsArr);
VCellCopyPasteHelper.chooseApplyPaste(InitialConditionsPanel.this, pasteDescriptionArr, changedParametersArr, newExpressionsArr);
} else {
PopupGenerator.showInfoDialog(InitialConditionsPanel.this, "No paste items match the destination (no changes made).");
}
}
};
ClientTaskDispatcher.dispatch(this, new Hashtable<String, Object>(), new AsynchClientTask[] { task1, task2 });
}
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