use of cbit.vcell.model.ModelException in project vcell by virtualcell.
the class ViewGeneratedSpeciesPanel method updateShape.
public void updateShape(int selectedRow) {
GeneratedSpeciesTableRow speciesTableRow = tableModel.getValueAt(selectedRow);
String inputString = speciesTableRow.getExpression();
// System.out.println(selectedRows[0] + ": " + inputString);
Model tempModel = null;
try {
tempModel = new Model("MyTempModel");
tempModel.addFeature("c0");
} catch (ModelException | PropertyVetoException e1) {
e1.printStackTrace();
}
if (owner != null && owner.getSimulationContext() != null) {
List<MolecularType> mtList = owner.getSimulationContext().getModel().getRbmModelContainer().getMolecularTypeList();
try {
tempModel.getRbmModelContainer().setMolecularTypeList(mtList);
} catch (PropertyVetoException e1) {
e1.printStackTrace();
throw new RuntimeException("Unexpected exception setting " + MolecularType.typeName + " list: " + e1.getMessage(), e1);
}
} else {
System.out.println("something is wrong, we just do nothing rather than crash");
return;
}
try {
String strStructure = null;
if (inputString.contains(RbmUtils.SiteStruct)) {
// we are in the mode where we emulate compartments by adding the compartment name as a fake site
Pair<List<String>, String> p = RbmUtils.extractCompartment(inputString);
// we'll just assume there's only one, may want to throw exception if more
strStructure = p.one.get(0);
inputString = p.two;
} else {
// should be the normal @comp:expression format - if it's not it will return null
strStructure = RbmUtils.parseCompartment(inputString, tempModel);
}
Structure structure;
if (strStructure != null) {
if (tempModel.getStructure(strStructure) == null) {
if (owner.getSimulationContext().getModel().getStructure(strStructure).getTypeName().equals(Structure.TYPE_NAME_MEMBRANE)) {
tempModel.addMembrane(strStructure);
} else {
tempModel.addFeature(strStructure);
}
}
structure = tempModel.getStructure(strStructure);
} else {
structure = tempModel.getStructure(0);
}
SpeciesPattern sp = (SpeciesPattern) RbmUtils.parseSpeciesPattern(inputString, tempModel);
sp.resolveBonds();
SpeciesContext sc = new SpeciesContext(new Species("a", ""), structure, sp);
spls = new SpeciesPatternLargeShape(20, 20, -1, sp, shapePanel, sc, issueManager);
} catch (ParseException | PropertyVetoException | ModelException e1) {
e1.printStackTrace();
// error (red circle)
spls = new SpeciesPatternLargeShape(20, 20, -1, shapePanel, true, issueManager);
shapePanel.repaint();
}
int xOffset = spls.getRightEnd() + 45;
Dimension preferredSize = new Dimension(xOffset + 90, 50);
shapePanel.setPreferredSize(preferredSize);
shapePanel.repaint();
}
use of cbit.vcell.model.ModelException in project vcell by virtualcell.
the class ViewObservablesMapPanel method updateShapeSpecies.
public void updateShapeSpecies(int selectedRow) {
GeneratedSpeciesTableRow speciesTableRow = speciesTableModel.getValueAt(selectedRow);
String inputString = speciesTableRow.getExpression();
// System.out.println(selectedRows[0] + ": " + inputString);
Model tempModel = null;
try {
tempModel = new Model("MyTempModel");
tempModel.addFeature("c0");
} catch (ModelException | PropertyVetoException e1) {
e1.printStackTrace();
}
if (owner != null && owner.getSimulationContext() != null) {
List<MolecularType> mtList = owner.getSimulationContext().getModel().getRbmModelContainer().getMolecularTypeList();
try {
tempModel.getRbmModelContainer().setMolecularTypeList(mtList);
} catch (PropertyVetoException e1) {
e1.printStackTrace();
throw new RuntimeException("Unexpected exception setting " + MolecularType.typeName + " list: " + e1.getMessage(), e1);
}
} else {
System.out.println("something is wrong, we just do nothing rather than crash");
return;
}
try {
String strStructure = null;
if (inputString.contains(RbmUtils.SiteStruct)) {
// we are in the mode where we emulate compartments by adding the compartment name as a fake site
Pair<List<String>, String> p = RbmUtils.extractCompartment(inputString);
// we'll just assume there's only one, may want to throw exception if more
strStructure = p.one.get(0);
inputString = p.two;
} else {
// should be the normal @comp:expression format - if it's not it will return null
strStructure = RbmUtils.parseCompartment(inputString, tempModel);
}
Structure structure;
if (strStructure != null) {
if (tempModel.getStructure(strStructure) == null) {
if (owner.getSimulationContext().getModel().getStructure(strStructure).getTypeName().equals(Structure.TYPE_NAME_MEMBRANE)) {
tempModel.addMembrane(strStructure);
} else {
tempModel.addFeature(strStructure);
}
}
structure = tempModel.getStructure(strStructure);
} else {
structure = tempModel.getStructure(0);
}
SpeciesPattern sp = (SpeciesPattern) RbmUtils.parseSpeciesPattern(inputString, tempModel);
sp.resolveBonds();
SpeciesContext sc = new SpeciesContext(new Species("a", ""), structure, sp);
spls = new SpeciesPatternLargeShape(20, 20, -1, sp, shapePanelSpecies, sc, issueManager);
} catch (ParseException | PropertyVetoException | ModelException e1) {
e1.printStackTrace();
// error (red circle)
spls = new SpeciesPatternLargeShape(20, 20, -1, shapePanelSpecies, true, issueManager);
shapePanelSpecies.repaint();
}
int xOffset = spls.getRightEnd() + 45;
Dimension preferredSize = new Dimension(xOffset + 90, 50);
shapePanelSpecies.setPreferredSize(preferredSize);
shapePanelSpecies.repaint();
}
use of cbit.vcell.model.ModelException in project vcell by virtualcell.
the class StochMathMapping_4_8 method refreshMathDescription.
/**
* set up a math description based on current simulationContext.
*/
private void refreshMathDescription() throws MappingException, MatrixException, MathException, ExpressionException, ModelException {
// use local variable instead of using getter all the time.
SimulationContext simContext = getSimulationContext();
// local structure mapping list
StructureMapping[] structureMappings = simContext.getGeometryContext().getStructureMappings();
// We have to check if all the reactions are able to tranform to stochastic jump processes before generating the math.
String stochChkMsg = simContext.getModel().isValidForStochApp();
if (!(stochChkMsg.equals(""))) {
throw new ModelException("Problem updating math description: " + simContext.getName() + "\n" + stochChkMsg);
}
// All sizes must be set for new ODE models and ratios must be set for old ones.
simContext.checkValidity();
//
// verify that all structures are mapped to subvolumes and all subvolumes are mapped to a structure
//
Structure[] structures = simContext.getGeometryContext().getModel().getStructures();
for (int i = 0; i < structures.length; i++) {
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(structures[i]);
if (sm == null || (sm instanceof FeatureMapping && getSubVolume(((FeatureMapping) sm)) == null)) {
throw new MappingException("model structure '" + structures[i].getName() + "' not mapped to a geometry subVolume");
}
if (sm != null && (sm instanceof MembraneMapping) && ((MembraneMapping) sm).getVolumeFractionParameter() != null) {
Expression volFractExp = ((MembraneMapping) sm).getVolumeFractionParameter().getExpression();
try {
if (volFractExp != null) {
double volFract = volFractExp.evaluateConstant();
if (volFract >= 1.0) {
throw new MappingException("model structure '" + (getSimulationContext().getModel().getStructureTopology().getInsideFeature(((MembraneMapping) sm).getMembrane()).getName() + "' has volume fraction >= 1.0"));
}
}
} catch (ExpressionException e) {
e.printStackTrace(System.out);
}
}
}
SubVolume[] subVolumes = simContext.getGeometryContext().getGeometry().getGeometrySpec().getSubVolumes();
for (int i = 0; i < subVolumes.length; i++) {
if (getStructures(subVolumes[i]) == null || getStructures(subVolumes[i]).length == 0) {
throw new MappingException("geometry subVolume '" + subVolumes[i].getName() + "' not mapped from a model structure");
}
}
//
// gather only those reactionSteps that are not "excluded"
//
ReactionSpec[] reactionSpecs = simContext.getReactionContext().getReactionSpecs();
Vector<ReactionStep> rsList = new Vector<ReactionStep>();
for (int i = 0; i < reactionSpecs.length; i++) {
if (reactionSpecs[i].isExcluded() == false) {
rsList.add(reactionSpecs[i].getReactionStep());
}
}
ReactionStep[] reactionSteps = new ReactionStep[rsList.size()];
rsList.copyInto(reactionSteps);
//
for (int i = 0; i < reactionSteps.length; i++) {
Kinetics.UnresolvedParameter[] unresolvedParameters = reactionSteps[i].getKinetics().getUnresolvedParameters();
if (unresolvedParameters != null && unresolvedParameters.length > 0) {
StringBuffer buffer = new StringBuffer();
for (int j = 0; j < unresolvedParameters.length; j++) {
if (j > 0) {
buffer.append(", ");
}
buffer.append(unresolvedParameters[j].getName());
}
throw new MappingException(reactionSteps[i].getDisplayType() + " '" + reactionSteps[i].getName() + "' contains unresolved identifier(s): " + buffer);
}
}
//
// create new MathDescription (based on simContext's previous MathDescription if possible)
//
MathDescription oldMathDesc = simContext.getMathDescription();
mathDesc = null;
if (oldMathDesc != null) {
if (oldMathDesc.getVersion() != null) {
mathDesc = new MathDescription(oldMathDesc.getVersion());
} else {
mathDesc = new MathDescription(oldMathDesc.getName());
}
} else {
mathDesc = new MathDescription(simContext.getName() + "_generated");
}
//
// temporarily place all variables in a hashtable (before binding) and discarding duplicates
//
VariableHash varHash = new VariableHash();
//
// conversion factors
//
Model model = simContext.getModel();
ModelUnitSystem modelUnitSystem = model.getUnitSystem();
varHash.addVariable(new Constant(getMathSymbol(model.getKMOLE(), null), getIdentifierSubstitutions(model.getKMOLE().getExpression(), model.getKMOLE().getUnitDefinition(), null)));
varHash.addVariable(new Constant(getMathSymbol(model.getN_PMOLE(), null), getIdentifierSubstitutions(model.getN_PMOLE().getExpression(), model.getN_PMOLE().getUnitDefinition(), null)));
varHash.addVariable(new Constant(getMathSymbol(model.getFARADAY_CONSTANT(), null), getIdentifierSubstitutions(model.getFARADAY_CONSTANT().getExpression(), model.getFARADAY_CONSTANT().getUnitDefinition(), null)));
varHash.addVariable(new Constant(getMathSymbol(model.getFARADAY_CONSTANT_NMOLE(), null), getIdentifierSubstitutions(model.getFARADAY_CONSTANT_NMOLE().getExpression(), model.getFARADAY_CONSTANT_NMOLE().getUnitDefinition(), null)));
varHash.addVariable(new Constant(getMathSymbol(model.getGAS_CONSTANT(), null), getIdentifierSubstitutions(model.getGAS_CONSTANT().getExpression(), model.getGAS_CONSTANT().getUnitDefinition(), null)));
varHash.addVariable(new Constant(getMathSymbol(model.getTEMPERATURE(), null), getIdentifierSubstitutions(new Expression(simContext.getTemperatureKelvin()), model.getTEMPERATURE().getUnitDefinition(), null)));
Enumeration<SpeciesContextMapping> enum1 = getSpeciesContextMappings();
while (enum1.hasMoreElements()) {
SpeciesContextMapping scm = enum1.nextElement();
if (scm.getVariable() instanceof StochVolVariable) {
varHash.addVariable(scm.getVariable());
}
}
//
// add rate term for all reactions
// add current source terms for each reaction step in a membrane
//
/*for (int i = 0; i < reactionSteps.length; i++){
boolean bAllReactionParticipantsFixed = true;
ReactionParticipant rp_Array[] = reactionSteps[i].getReactionParticipants();
for (int j = 0; j < rp_Array.length; j++) {
SpeciesContextSpec scs = getSimulationContext().getReactionContext().getSpeciesContextSpec(rp_Array[j].getSpeciesContext());
if (!(rp_Array[j] instanceof Catalyst) && !scs.isConstant()){
bAllReactionParticipantsFixed = false; // found at least one reactionParticipant that is not fixed and needs this rate
}
}
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(reactionSteps[i].getStructure());
}---don't think it's useful, isn't it?*/
// deals with model parameters
ModelParameter[] modelParameters = simContext.getModel().getModelParameters();
for (int j = 0; j < modelParameters.length; j++) {
Expression expr = getSubstitutedExpr(modelParameters[j].getExpression(), true, false);
expr = getIdentifierSubstitutions(expr, modelParameters[j].getUnitDefinition(), null);
varHash.addVariable(newFunctionOrConstant(getMathSymbol(modelParameters[j], null), expr));
}
// added July 2009, ElectricalStimulusParameter electric mapping tab
ElectricalStimulus[] elecStimulus = simContext.getElectricalStimuli();
if (elecStimulus.length > 0) {
throw new MappingException("Modles with electrophysiology are not supported for stochastic applications.");
}
for (int j = 0; j < structureMappings.length; j++) {
if (structureMappings[j] instanceof MembraneMapping) {
MembraneMapping memMapping = (MembraneMapping) structureMappings[j];
Parameter initialVoltageParm = memMapping.getInitialVoltageParameter();
try {
Expression exp = initialVoltageParm.getExpression();
exp.evaluateConstant();
varHash.addVariable(newFunctionOrConstant(getMathSymbol(memMapping.getMembrane().getMembraneVoltage(), memMapping), getIdentifierSubstitutions(memMapping.getInitialVoltageParameter().getExpression(), memMapping.getInitialVoltageParameter().getUnitDefinition(), memMapping)));
} catch (ExpressionException e) {
e.printStackTrace(System.out);
throw new MappingException("Membrane initial voltage: " + initialVoltageParm.getName() + " cannot be evaluated as constant.");
}
}
}
//
for (int j = 0; j < reactionSteps.length; j++) {
ReactionStep rs = reactionSteps[j];
if (simContext.getReactionContext().getReactionSpec(rs).isExcluded()) {
continue;
}
if (rs.getKinetics() instanceof LumpedKinetics) {
throw new RuntimeException("Lumped Kinetics not yet supported for Stochastic Math Generation");
}
Kinetics.KineticsParameter[] parameters = rs.getKinetics().getKineticsParameters();
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(rs.getStructure());
if (parameters != null) {
for (int i = 0; i < parameters.length; i++) {
if ((parameters[i].getRole() == Kinetics.ROLE_CurrentDensity) && (parameters[i].getExpression() == null || parameters[i].getExpression().isZero())) {
continue;
}
// don't add rate, we'll do it later when creating the jump processes
if (parameters[i].getRole() != Kinetics.ROLE_ReactionRate) {
Expression expr = getSubstitutedExpr(parameters[i].getExpression(), true, false);
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parameters[i], sm), getIdentifierSubstitutions(expr, parameters[i].getUnitDefinition(), sm)));
}
}
}
}
// the parameter "Size" is already put into mathsymbolmapping in refreshSpeciesContextMapping()
for (int i = 0; i < structureMappings.length; i++) {
StructureMapping sm = structureMappings[i];
StructureMapping.StructureMappingParameter parm = sm.getParameterFromRole(StructureMapping.ROLE_Size);
if (parm.getExpression() != null) {
try {
double value = parm.getExpression().evaluateConstant();
varHash.addVariable(new Constant(getMathSymbol(parm, sm), new Expression(value)));
} catch (ExpressionException e) {
// varHash.addVariable(new Function(getMathSymbol0(parm,sm),getIdentifierSubstitutions(parm.getExpression(),parm.getUnitDefinition(),sm)));
e.printStackTrace(System.out);
throw new MappingException("Size of structure:" + sm.getNameScope().getName() + " cannot be evaluated as constant.");
}
}
}
//
// species initial values (either function or constant)
//
SpeciesContextSpec[] speciesContextSpecs = simContext.getReactionContext().getSpeciesContextSpecs();
for (int i = 0; i < speciesContextSpecs.length; i++) {
// can be concentration or amount
SpeciesContextSpec.SpeciesContextSpecParameter initParam = null;
Expression iniExp = null;
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(speciesContextSpecs[i].getSpeciesContext().getStructure());
if (speciesContextSpecs[i].getInitialConcentrationParameter() != null && speciesContextSpecs[i].getInitialConcentrationParameter().getExpression() != null) {
// use concentration, need to set up amount functions
initParam = speciesContextSpecs[i].getInitialConcentrationParameter();
iniExp = initParam.getExpression();
iniExp = getSubstitutedExpr(iniExp, true, !speciesContextSpecs[i].isConstant());
// now create the appropriate function or Constant for the speciesContextSpec.
varHash.addVariable(newFunctionOrConstant(getMathSymbol(initParam, sm), getIdentifierSubstitutions(iniExp, initParam.getUnitDefinition(), sm)));
// add function for initial amount
SpeciesContextSpec.SpeciesContextSpecParameter initAmountParam = speciesContextSpecs[i].getInitialCountParameter();
Expression iniAmountExp = getExpressionConcToAmt(new Expression(initParam, getNameScope()), speciesContextSpecs[i].getSpeciesContext());
// iniAmountExp.bindExpression(this);
varHash.addVariable(new Function(getMathSymbol(initAmountParam, sm), getIdentifierSubstitutions(iniAmountExp, initAmountParam.getUnitDefinition(), sm), nullDomain));
} else if (speciesContextSpecs[i].getInitialCountParameter() != null && speciesContextSpecs[i].getInitialCountParameter().getExpression() != null) {
// use amount
initParam = speciesContextSpecs[i].getInitialCountParameter();
iniExp = initParam.getExpression();
iniExp = getSubstitutedExpr(iniExp, false, !speciesContextSpecs[i].isConstant());
// now create the appropriate function or Constant for the speciesContextSpec.
varHash.addVariable(newFunctionOrConstant(getMathSymbol(initParam, sm), getIdentifierSubstitutions(iniExp, initParam.getUnitDefinition(), sm)));
}
// add spConcentration (concentration of species) to varHash as function or constant
SpeciesConcentrationParameter spConcParam = getSpeciesConcentrationParameter(speciesContextSpecs[i].getSpeciesContext());
varHash.addVariable(newFunctionOrConstant(getMathSymbol(spConcParam, sm), getIdentifierSubstitutions(spConcParam.getExpression(), spConcParam.getUnitDefinition(), sm)));
}
//
// constant species (either function or constant)
//
enum1 = getSpeciesContextMappings();
while (enum1.hasMoreElements()) {
SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
if (scm.getVariable() instanceof Constant) {
varHash.addVariable(scm.getVariable());
}
}
//
if (simContext.getGeometryContext().getGeometry() != null) {
try {
mathDesc.setGeometry(simContext.getGeometryContext().getGeometry());
} catch (java.beans.PropertyVetoException e) {
e.printStackTrace(System.out);
throw new MappingException("failure setting geometry " + e.getMessage());
}
} else {
throw new MappingException("geometry must be defined");
}
//
// functions: species which is not a variable, but has dependency expression
//
enum1 = getSpeciesContextMappings();
while (enum1.hasMoreElements()) {
SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
if (scm.getVariable() == null && scm.getDependencyExpression() != null) {
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(scm.getSpeciesContext().getStructure());
Expression exp = scm.getDependencyExpression();
exp.bindExpression(this);
SpeciesCountParameter spCountParam = getSpeciesCountParameter(scm.getSpeciesContext());
varHash.addVariable(new Function(getMathSymbol(spCountParam, sm), getIdentifierSubstitutions(exp, spCountParam.getUnitDefinition(), sm), nullDomain));
}
}
//
// create subDomains
//
SubDomain subDomain = null;
subVolumes = simContext.getGeometryContext().getGeometry().getGeometrySpec().getSubVolumes();
for (int j = 0; j < subVolumes.length; j++) {
SubVolume subVolume = (SubVolume) subVolumes[j];
//
// get priority of subDomain
//
int priority;
Feature spatialFeature = getResolvedFeature(subVolume);
if (spatialFeature == null) {
if (simContext.getGeometryContext().getGeometry().getDimension() > 0) {
throw new MappingException("no compartment (in Physiology) is mapped to subdomain '" + subVolume.getName() + "' (in Geometry)");
} else {
priority = CompartmentSubDomain.NON_SPATIAL_PRIORITY;
}
} else {
// now does not have to match spatial feature, *BUT* needs to be unique
priority = j;
}
subDomain = new CompartmentSubDomain(subVolume.getName(), priority);
mathDesc.addSubDomain(subDomain);
}
// ReactionSpec[] reactionSpecs = simContext.getReactionContext().getReactionSpecs();---need to take a look here!
for (int i = 0; i < reactionSpecs.length; i++) {
if (reactionSpecs[i].isExcluded()) {
continue;
}
// get the reaction
ReactionStep reactionStep = reactionSpecs[i].getReactionStep();
Kinetics kinetics = reactionStep.getKinetics();
// the structure where reaction happens
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(reactionStep.getStructure());
// create symbol table for jump process based on reactionStep and structure mapping
// final ReactionStep finalRS = reactionStep;
// final StructureMapping finalSM = sm;
// SymbolTable symTable = new SymbolTable(){
// public SymbolTableEntry getEntry(String identifierString) throws ExpressionBindingException {
// SymbolTableEntry ste = finalRS.getEntry(identifierString);
// if(ste == null)
// {
// ste = finalSM.getEntry(identifierString);
// }
// return ste;
// }
// };
// Different ways to deal with simple reactions and flux reactions
// probability parameter from modelUnitSystem
VCUnitDefinition probabilityParamUnit = modelUnitSystem.getStochasticSubstanceUnit().divideBy(modelUnitSystem.getTimeUnit());
if (// simple reactions
reactionStep instanceof SimpleReaction) {
// check the reaction rate law to see if we need to decompose a reaction(reversible) into two jump processes.
// rate constants are important in calculating the probability rate.
// for Mass Action, we use KForward and KReverse,
// for General Kinetics we parse reaction rate J to see if it is in Mass Action form.
Expression forwardRate = null;
Expression reverseRate = null;
if (kinetics.getKineticsDescription().equals(KineticsDescription.MassAction)) {
forwardRate = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_KForward).getExpression();
reverseRate = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_KReverse).getExpression();
} else if (kinetics.getKineticsDescription().equals(KineticsDescription.General)) {
Expression rateExp = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_ReactionRate).getExpression();
MassActionSolver.MassActionFunction maFunc = MassActionSolver.solveMassAction(null, null, rateExp, reactionStep);
if (maFunc.getForwardRate() == null && maFunc.getReverseRate() == null) {
throw new MappingException("Cannot generate stochastic math mapping for the reaction:" + reactionStep.getName() + "\nLooking for the rate function according to the form of k1*Reactant1^Stoir1*Reactant2^Stoir2...-k2*Product1^Stoip1*Product2^Stoip2.");
} else {
if (maFunc.getForwardRate() != null) {
forwardRate = maFunc.getForwardRate();
}
if (maFunc.getReverseRate() != null) {
reverseRate = maFunc.getReverseRate();
}
}
}
/*else if (kinetics.getKineticsDescription().getName().compareTo(KineticsDescription.HMM_irreversible.getName())==0)
{
forwardRate = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_Km).getExpression();
}
else if (kinetics.getKineticsDescription().getName().compareTo(KineticsDescription.HMM_reversible.getName())==0)
{
forwardRate = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_KmFwd).getExpression();
reverseRate = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_KmRev).getExpression();
}*/
boolean isForwardRatePresent = false;
boolean isReverseRatePresent = false;
if (forwardRate != null) {
isForwardRatePresent = true;
}
if (reverseRate != null) {
isReverseRatePresent = true;
}
// we process it as forward reaction
if ((isForwardRatePresent)) /*|| ((forwardRate == null) && (reverseRate == null))*/
{
// get jump process name
String jpName = TokenMangler.mangleToSName(reactionStep.getName());
// get probability
Expression exp = null;
// reactions are mass actions
exp = getProbabilityRate(reactionStep, true);
// bind symbol table before substitute identifiers in the reaction step
exp.bindExpression(this);
MathMapping_4_8.ProbabilityParameter probParm = null;
try {
probParm = addProbabilityParameter("P_" + jpName, exp, MathMapping_4_8.PARAMETER_ROLE_P, probabilityParamUnit, reactionSpecs[i]);
} catch (PropertyVetoException pve) {
pve.printStackTrace();
throw new MappingException(pve.getMessage());
}
// add probability to function or constant
varHash.addVariable(newFunctionOrConstant(getMathSymbol(probParm, sm), getIdentifierSubstitutions(exp, probabilityParamUnit, sm)));
JumpProcess jp = new JumpProcess(jpName, new Expression(getMathSymbol(probParm, sm)));
// actions
ReactionParticipant[] reacPart = reactionStep.getReactionParticipants();
for (int j = 0; j < reacPart.length; j++) {
Action action = null;
SpeciesCountParameter spCountParam = getSpeciesCountParameter(reacPart[j].getSpeciesContext());
if (reacPart[j] instanceof Reactant) {
// check if the reactant is a constant. If the species is a constant, there will be no action taken on this species
if (// not a constant
!simContext.getReactionContext().getSpeciesContextSpec(reacPart[j].getSpeciesContext()).isConstant()) {
int stoi = ((Reactant) reacPart[j]).getStoichiometry();
action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression("-" + String.valueOf(stoi)));
jp.addAction(action);
}
} else if (reacPart[j] instanceof Product) {
// check if the product is a constant. If the product is a constant, there will be no action taken on this species
if (// not a constant
!simContext.getReactionContext().getSpeciesContextSpec(reacPart[j].getSpeciesContext()).isConstant()) {
int stoi = ((Product) reacPart[j]).getStoichiometry();
action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression(stoi));
jp.addAction(action);
}
}
}
// add jump process to compartment subDomain
subDomain.addJumpProcess(jp);
}
if (// one more jump process for a reversible reaction
isReverseRatePresent) {
// get jump process name
String jpName = TokenMangler.mangleToSName(reactionStep.getName()) + "_reverse";
Expression exp = null;
// reactions are mass actions
exp = getProbabilityRate(reactionStep, false);
// bind symbol table before substitute identifiers in the reaction step
exp.bindExpression(this);
MathMapping_4_8.ProbabilityParameter probRevParm = null;
try {
probRevParm = addProbabilityParameter("P_" + jpName, exp, MathMapping_4_8.PARAMETER_ROLE_P_reverse, probabilityParamUnit, reactionSpecs[i]);
} catch (PropertyVetoException pve) {
pve.printStackTrace();
throw new MappingException(pve.getMessage());
}
// add probability to function or constant
varHash.addVariable(newFunctionOrConstant(getMathSymbol(probRevParm, sm), getIdentifierSubstitutions(exp, probabilityParamUnit, sm)));
JumpProcess jp = new JumpProcess(jpName, new Expression(getMathSymbol(probRevParm, sm)));
// actions
ReactionParticipant[] reacPart = reactionStep.getReactionParticipants();
for (int j = 0; j < reacPart.length; j++) {
Action action = null;
SpeciesCountParameter spCountParam = getSpeciesCountParameter(reacPart[j].getSpeciesContext());
if (reacPart[j] instanceof Reactant) {
// check if the reactant is a constant. If the species is a constant, there will be no action taken on this species
if (// not a constant
!simContext.getReactionContext().getSpeciesContextSpec(reacPart[j].getSpeciesContext()).isConstant()) {
int stoi = ((Reactant) reacPart[j]).getStoichiometry();
action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression(stoi));
jp.addAction(action);
}
} else if (reacPart[j] instanceof Product) {
// check if the product is a constant. If the product is a constant, there will be no action taken on this species
if (// not a constant
!simContext.getReactionContext().getSpeciesContextSpec(reacPart[j].getSpeciesContext()).isConstant()) {
int stoi = ((Product) reacPart[j]).getStoichiometry();
action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression("-" + String.valueOf(stoi)));
jp.addAction(action);
}
}
}
// add jump process to compartment subDomain
subDomain.addJumpProcess(jp);
}
// end of if(isForwardRateNonZero), if(isReverseRateNonRate)
} else if (// flux reactions
reactionStep instanceof FluxReaction) {
// we could set jump processes for general flux rate in forms of p1*Sout + p2*Sin
if (kinetics.getKineticsDescription().equals(KineticsDescription.General)) {
Expression fluxRate = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_ReactionRate).getExpression();
// we have to pass the math description para to flux solver, coz somehow math description in simulation context is not updated.
MassActionSolver.MassActionFunction fluxFunc = MassActionSolver.solveMassAction(null, null, fluxRate, (FluxReaction) reactionStep);
// create jump process for forward flux if it exists.
if (fluxFunc.getForwardRate() != null && !fluxFunc.getForwardRate().isZero()) {
// jump process name
// +"_reverse";
String jpName = TokenMangler.mangleToSName(reactionStep.getName());
// we do it here instead of fluxsolver, coz we need to use getMathSymbol0(), structuremapping...etc.
Expression rate = fluxFunc.getForwardRate();
// get species expression (depend on structure, if mem: Species/mem_Size, if vol: species*KMOLE/vol_size)
SpeciesContext scOut = fluxFunc.getReactants().get(0).getSpeciesContext();
Expression speciesFactor = null;
if (scOut.getStructure() instanceof Feature) {
Expression exp1 = new Expression(1.0 / 602.0);
Expression exp2 = new Expression(scOut.getStructure().getStructureSize(), getNameScope());
speciesFactor = Expression.div(Expression.invert(exp1), exp2);
} else {
throw new MappingException("Species involved in a flux have to be volume species.");
}
Expression speciesExp = Expression.mult(speciesFactor, new Expression(scOut, getNameScope()));
// get probability expression by adding factor to rate (rate: rate*size_mem/KMOLE)
Expression expr1 = Expression.mult(rate, speciesExp);
Expression numeratorExpr = Expression.mult(expr1, new Expression(sm.getStructure().getStructureSize(), getNameScope()));
Expression exp = new Expression(1.0 / 602.0);
Expression probExp = Expression.mult(numeratorExpr, exp);
// bind symbol table before substitute identifiers in the reaction step
probExp.bindExpression(reactionStep);
MathMapping_4_8.ProbabilityParameter probParm = null;
try {
probParm = addProbabilityParameter("P_" + jpName, probExp, MathMapping_4_8.PARAMETER_ROLE_P, probabilityParamUnit, reactionSpecs[i]);
} catch (PropertyVetoException pve) {
pve.printStackTrace();
throw new MappingException(pve.getMessage());
}
// add probability to function or constant
varHash.addVariable(newFunctionOrConstant(getMathSymbol(probParm, sm), getIdentifierSubstitutions(probExp, probabilityParamUnit, sm)));
JumpProcess jp = new JumpProcess(jpName, new Expression(getMathSymbol(probParm, sm)));
// actions
Action action = null;
SpeciesContext sc = fluxFunc.getReactants().get(0).getSpeciesContext();
if (!simContext.getReactionContext().getSpeciesContextSpec(sc).isConstant()) {
SpeciesCountParameter spCountParam = getSpeciesCountParameter(sc);
action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression(-1));
jp.addAction(action);
}
sc = fluxFunc.getProducts().get(0).getSpeciesContext();
if (!simContext.getReactionContext().getSpeciesContextSpec(sc).isConstant()) {
SpeciesCountParameter spCountParam = getSpeciesCountParameter(sc);
action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression(1));
jp.addAction(action);
}
subDomain.addJumpProcess(jp);
}
if (fluxFunc.getReverseRate() != null && !fluxFunc.getReverseRate().isZero()) {
// jump process name
String jpName = TokenMangler.mangleToSName(reactionStep.getName()) + "_reverse";
Expression rate = fluxFunc.getReverseRate();
// get species expression (depend on structure, if mem: Species/mem_Size, if vol: species*KMOLE/vol_size)
SpeciesContext scIn = fluxFunc.getProducts().get(0).getSpeciesContext();
Expression speciesFactor = null;
if (scIn.getStructure() instanceof Feature) {
Expression exp1 = new Expression(1.0 / 602.0);
Expression exp2 = new Expression(scIn.getStructure().getStructureSize(), getNameScope());
speciesFactor = Expression.div(Expression.invert(exp1), exp2);
} else {
throw new MappingException("Species involved in a flux have to be volume species.");
}
Expression speciesExp = Expression.mult(speciesFactor, new Expression(scIn, getNameScope()));
// get probability expression by adding factor to rate (rate: rate*size_mem/KMOLE)
Expression expr1 = Expression.mult(rate, speciesExp);
Expression numeratorExpr = Expression.mult(expr1, new Expression(sm.getStructure().getStructureSize(), getNameScope()));
Expression exp = new Expression(1.0 / 602.0);
Expression probRevExp = Expression.mult(numeratorExpr, exp);
// bind symbol table before substitute identifiers in the reaction step
probRevExp.bindExpression(reactionStep);
MathMapping_4_8.ProbabilityParameter probRevParm = null;
try {
probRevParm = addProbabilityParameter("P_" + jpName, probRevExp, MathMapping_4_8.PARAMETER_ROLE_P_reverse, probabilityParamUnit, reactionSpecs[i]);
} catch (PropertyVetoException pve) {
pve.printStackTrace();
throw new MappingException(pve.getMessage());
}
// add probability to function or constant
varHash.addVariable(newFunctionOrConstant(getMathSymbol(probRevParm, sm), getIdentifierSubstitutions(probRevExp, probabilityParamUnit, sm)));
JumpProcess jp = new JumpProcess(jpName, new Expression(getMathSymbol(probRevParm, sm)));
// actions
Action action = null;
SpeciesContext sc = fluxFunc.getReactants().get(0).getSpeciesContext();
if (!simContext.getReactionContext().getSpeciesContextSpec(sc).isConstant()) {
SpeciesCountParameter spCountParam = getSpeciesCountParameter(sc);
action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression(1));
jp.addAction(action);
}
sc = fluxFunc.getProducts().get(0).getSpeciesContext();
if (!simContext.getReactionContext().getSpeciesContextSpec(sc).isConstant()) {
SpeciesCountParameter spCountParam = getSpeciesCountParameter(sc);
action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression(-1));
jp.addAction(action);
}
subDomain.addJumpProcess(jp);
}
}
}
// end of if (simplereaction)...else if(fluxreaction)
}
// end of reaction step loop
//
// set Variables to MathDescription all at once with the order resolved by "VariableHash"
//
mathDesc.setAllVariables(varHash.getAlphabeticallyOrderedVariables());
// set up variable initial conditions in subDomain
SpeciesContextSpec[] scSpecs = simContext.getReactionContext().getSpeciesContextSpecs();
for (int i = 0; i < speciesContextSpecs.length; i++) {
// get stochastic variable by name
SpeciesCountParameter spCountParam = getSpeciesCountParameter(speciesContextSpecs[i].getSpeciesContext());
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(speciesContextSpecs[i].getSpeciesContext().getStructure());
String varName = getMathSymbol(spCountParam, sm);
if (scSpecs[i].isConstant()) {
continue;
}
StochVolVariable var = (StochVolVariable) mathDesc.getVariable(varName);
// stochastic use initial number of particles
SpeciesContextSpec.SpeciesContextSpecParameter initParm = scSpecs[i].getInitialCountParameter();
// stochastic variables initial expression.
if (initParm != null) {
VarIniCondition varIni = new VarIniCount(var, new Expression(getMathSymbol(initParm, sm)));
subDomain.addVarIniCondition(varIni);
}
}
if (!mathDesc.isValid()) {
throw new MappingException("generated an invalid mathDescription: " + mathDesc.getWarning());
}
}
use of cbit.vcell.model.ModelException in project vcell by virtualcell.
the class BioModelEditorModelPanel method newButtonPressed.
private void newButtonPressed() throws ModelException, PropertyVetoException {
newObject = null;
computeCurrentSelectedTable();
if (currentSelectedTable == speciesTable) {
if (bioModel.getModel().getNumStructures() == 1) {
newObject = bioModel.getModel().createSpeciesContext(bioModel.getModel().getStructures()[0]);
} else if (bioModel.getModel().getNumStructures() > 1) {
final JPopupMenu menu = new JPopupMenu("Choose compartment");
for (int i = 0; i < bioModel.getModel().getNumStructures(); i++) {
Structure s = bioModel.getModel().getStructure(i);
String sName = s.getName();
JMenuItem menuItem = new JMenuItem("In " + s.getTypeName() + " " + sName);
menuItem.setIcon(new StructureToolShapeIcon(17));
menu.add(menuItem);
menuItem.addActionListener(new ActionListener() {
public void actionPerformed(ActionEvent e) {
newObject = bioModel.getModel().createSpeciesContext(s);
}
});
}
menu.show(newButton, 0, newButton.getHeight());
}
} else if (currentSelectedTable == molecularTypeTable) {
if (bioModel.getModel().getRbmModelContainer() != null) {
MolecularType mt = bioModel.getModel().getRbmModelContainer().createMolecularType();
bioModel.getModel().getRbmModelContainer().addMolecularType(mt, true);
newObject = mt;
}
} else if (currentSelectedTable == observablesTable) {
if (bioModel.getModel().getRbmModelContainer() != null) {
if (bioModel.getModel().getRbmModelContainer().getMolecularTypeList().isEmpty()) {
PopupGenerator.showInfoDialog(this, VCellErrorMessages.MustBeRuleBased);
return;
}
if (bioModel.getModel().getNumStructures() == 1) {
RbmObservable o = bioModel.getModel().getRbmModelContainer().createObservable(RbmObservable.ObservableType.Molecules);
bioModel.getModel().getRbmModelContainer().addObservable(o);
SpeciesPattern sp = new SpeciesPattern();
o.addSpeciesPattern(sp);
newObject = o;
} else if (bioModel.getModel().getNumStructures() > 1) {
final JPopupMenu menu = new JPopupMenu("Choose compartment");
for (int i = 0; i < bioModel.getModel().getNumStructures(); i++) {
Structure s = bioModel.getModel().getStructure(i);
String sName = s.getName();
JMenuItem menuItem = new JMenuItem("In " + s.getTypeName() + " " + sName);
menuItem.setIcon(new StructureToolShapeIcon(17));
menu.add(menuItem);
menuItem.addActionListener(new ActionListener() {
public void actionPerformed(ActionEvent e) {
RbmObservable o = bioModel.getModel().getRbmModelContainer().createObservable(RbmObservable.ObservableType.Molecules, null, s);
o.setStructure(s);
try {
bioModel.getModel().getRbmModelContainer().addObservable(o);
} catch (ModelException | PropertyVetoException e1) {
e1.printStackTrace();
throw new RuntimeException(e1.getMessage(), e1);
}
SpeciesPattern sp = new SpeciesPattern();
o.addSpeciesPattern(sp);
newObject = o;
if (newObject != null) {
for (int i = 0; i < currentSelectedTableModel.getRowCount(); i++) {
if (currentSelectedTableModel.getValueAt(i) == newObject) {
currentSelectedTable.setRowSelectionInterval(i, i);
break;
}
}
}
}
});
}
menu.show(newButton, 0, newButton.getHeight());
}
}
} else if (currentSelectedTable == structuresTable) {
try {
Feature feature = bioModel.getModel().createFeature();
newObject = feature;
} catch (Exception e) {
e.printStackTrace();
DialogUtils.showErrorDialog(this, e.getMessage(), e);
}
} else if (currentSelectedTable == reactionsTable) {
if (bioModel.getModel().getNumStructures() == 1) {
SimpleReaction reactionStep = bioModel.getModel().createSimpleReaction(bioModel.getModel().getStructures()[0]);
newObject = reactionStep;
} else {
addNewReaction();
}
}
if (newObject != null) {
for (int i = 0; i < currentSelectedTableModel.getRowCount(); i++) {
if (currentSelectedTableModel.getValueAt(i) == newObject) {
currentSelectedTable.setRowSelectionInterval(i, i);
break;
}
}
}
}
use of cbit.vcell.model.ModelException in project vcell by virtualcell.
the class XmlReader method getModel.
/**
* This method creates a Model object from a XML element.
* Creation date: (3/14/2001 6:14:37 PM)
* @return cbit.vcell.model.Model
* @param param org.jdom.Element
*/
private Model getModel(Element param) throws XmlParseException {
if (param == null) {
throw new XmlParseException("Invalid 'NULL' XML 'model' element arrived!");
}
// Get version, if any
Model newmodel = null;
Version version = getVersion(param.getChild(XMLTags.VersionTag, vcNamespace));
// if forcedModelUnitSystem has been set, ues that (could be overriding unit system for SBML export)
if (forcedModelUnitSystem != null) {
newmodel = new Model(version, forcedModelUnitSystem);
} else {
Element unitSystemNode = param.getChild(XMLTags.ModelUnitSystemTag, vcNamespace);
if (unitSystemNode != null) {
ModelUnitSystem modelUnitSystem = getUnitSystem(unitSystemNode);
newmodel = new Model(version, modelUnitSystem);
} else {
newmodel = new Model(version);
}
}
try {
// Set attributes
newmodel.setName(unMangle(param.getAttributeValue(XMLTags.NameAttrTag)));
// Add annotation
String annotationText = param.getChildText(XMLTags.AnnotationTag, vcNamespace);
if (annotationText != null && annotationText.length() > 0) {
newmodel.setDescription(unMangle(annotationText));
}
// Add global parameters
Element globalParamsElement = param.getChild(XMLTags.ModelParametersTag, vcNamespace);
if (globalParamsElement != null) {
ModelParameter[] modelParams = getModelParams(globalParamsElement, newmodel);
// add global/model param to model - done inside getModelParam by passing newModel
newmodel.setModelParameters(modelParams);
}
// Add Species (Compounds)
Iterator<Element> iterator = param.getChildren(XMLTags.SpeciesTag, vcNamespace).iterator();
ArrayList<Species> speciesList = new ArrayList<Species>();
while (iterator.hasNext()) {
org.jdom.Element temp = (Element) iterator.next();
speciesList.add(getSpecies(temp));
}
newmodel.setSpecies(speciesList.toArray(new Species[speciesList.size()]));
// Add Structures
LinkedList<Structure> newstructures = new LinkedList<Structure>();
// (features)
List<Element> children = param.getChildren(XMLTags.FeatureTag, vcNamespace);
for (Element featureElement : children) {
newstructures.add(getFeature(featureElement));
}
// (Membrane)
children = param.getChildren(XMLTags.MembraneTag, vcNamespace);
for (Element memElement : children) {
newstructures.add(getMembrane(newmodel, memElement, newstructures));
}
if (newstructures.size() > 0) {
Structure[] structarray = new Structure[newstructures.size()];
newstructures.toArray(structarray);
// Add all the retrieved structures
newmodel.setStructures(structarray);
}
// retrieve the RbmModelContainer, if present - must be done before we retrieve species context!
Element element = param.getChild(XMLTags.RbmModelContainerTag, vcNamespace);
if (element != null) {
getRbmModelContainer(element, newmodel);
} else {
lg.info("RbmModelContainer is missing.");
}
// Add SpeciesContexts
children = param.getChildren(XMLTags.SpeciesContextTag, vcNamespace);
SpeciesContext[] newspeccon = new SpeciesContext[children.size()];
int scCounter = 0;
for (Element scElement : children) {
newspeccon[scCounter] = getSpeciesContext(scElement, newmodel);
scCounter++;
}
newmodel.setSpeciesContexts(newspeccon);
// Retrieve rateRules and add to model
// Element rateRuleVarsElement = param.getChild(XMLTags.RateRuleVariablesTag, vcNamespace);
// if(rateRuleVarsElement != null){
// RateRuleVariable[] rateRuleVars = getRateRuleVariables(rateRuleVarsElement, newmodel);
// newmodel.setRateRuleVariables(rateRuleVars);
// }
// Add Reaction steps (if available)
// (Simplereaction)
// Create a varHash with reserved symbols and global parameters, if any, to pass on to Kinetics
// must create new hash for each reaction and flux, since each kinetics uses new variables hash
iterator = param.getChildren(XMLTags.SimpleReactionTag, vcNamespace).iterator();
ArrayList<ReactionStep> reactionStepList = new ArrayList<ReactionStep>();
while (iterator.hasNext()) {
org.jdom.Element temp = iterator.next();
reactionStepList.add(getSimpleReaction(temp, newmodel));
}
// (fluxStep)
iterator = param.getChildren(XMLTags.FluxStepTag, vcNamespace).iterator();
while (iterator.hasNext()) {
org.jdom.Element temp = iterator.next();
reactionStepList.add(getFluxReaction(temp, newmodel));
}
newmodel.setReactionSteps(reactionStepList.toArray(new ReactionStep[reactionStepList.size()]));
// Add Diagrams
children = param.getChildren(XMLTags.DiagramTag, vcNamespace);
if (children.size() > 0) {
Diagram[] newdiagrams = new Diagram[children.size()];
int diagramCounter = 0;
for (Element diagramElement : children) {
newdiagrams[diagramCounter] = getDiagram(diagramElement, newmodel);
diagramCounter++;
}
reorderDiagramsInPlace_UponRead(docVCellSoftwareVersion, newdiagrams, newmodel.getStructureTopology());
// if(docVCellSoftwareVersion != null && !docVCellSoftwareVersion.isValid() && docVCellSoftwareVersion.getMajorVersion()<=5 && docVCellSoftwareVersion.getMinorVersion() <=2){
// //In Vcell 5.2 and previous we need to order diagrams topologically, in 5.3 and later the diagrams are displayed as they are ordered when read from document
// final StructureTopology structureTopology = newmodel.getStructureTopology();
// Arrays.sort(newdiagrams, new Comparator<Diagram>() {
// @Override
// public int compare(Diagram o1, Diagram o2) {
// return getStructureLevel(o1.getStructure(), structureTopology) - getStructureLevel(o2.getStructure(), structureTopology);
// }
// });
// }
newmodel.setDiagrams(newdiagrams);
}
} catch (java.beans.PropertyVetoException e) {
e.printStackTrace();
throw new XmlParseException(e);
} catch (ModelException e) {
e.printStackTrace();
}
// model param expresions are not bound when they are read in, since they could be functions of each other or structures/speciesContexts.
// Hence bind the model param exprs at the end, after reading all model level quantities.
ModelParameter[] modelParameters = newmodel.getModelParameters();
for (int i = 0; modelParameters != null && i < modelParameters.length; i++) {
try {
modelParameters[i].getExpression().bindExpression(newmodel);
} catch (ExpressionBindingException e) {
e.printStackTrace(System.out);
throw new RuntimeException("Error binding global parameter '" + modelParameters[i].getName() + "' to model." + e.getMessage());
}
}
return newmodel;
}
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