Example 1 with MembraneElectricalDevice
use of cbit.vcell.mapping.potential.MembraneElectricalDevice in project vcell by virtualcell.
the class DiffEquMathMapping method refreshMathDescription.
/**
* This method was created in VisualAge.
*/
@SuppressWarnings("deprecation")
private void refreshMathDescription() throws MappingException, MatrixException, MathException, ExpressionException, ModelException {
// All sizes must be set for new ODE models and ratios must be set for old ones.
simContext.checkValidity();
//
// temporarily place all variables in a hashtable (before binding) and discarding duplicates (check for equality)
//
VariableHash varHash = new VariableHash();
StructureMapping[] structureMappings = simContext.getGeometryContext().getStructureMappings();
//
// 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.getGeometryClass() == null)){
// localIssueList.add(new Issue(structures[i], IssueCategory.StructureNotMapped,"In Application '" + simContext.getName() + "', model structure '"+structures[i].getName()+"' not mapped to a geometry subdomain",Issue.SEVERITY_WARNING));
// }
// }
// SubVolume subVolumes[] = simContext.getGeometryContext().getGeometry().getGeometrySpec().getSubVolumes();
// for (int i = 0; i < subVolumes.length; i++){
// Structure[] mappedStructures = simContext.getGeometryContext().getStructuresFromGeometryClass(subVolumes[i]);
// if (mappedStructures==null || mappedStructures.length==0){
// localIssueList.add(new Issue(subVolumes[i], IssueCategory.GeometryClassNotMapped,"In Application '" + simContext.getName() + "', geometry subVolume '"+subVolumes[i].getName()+"' not mapped from a model structure",Issue.SEVERITY_WARNING));
// }
// }
// deals with model parameters
HashMap<VolVariable, EventAssignmentOrRateRuleInitParameter> eventVolVarHash = new HashMap<VolVariable, EventAssignmentOrRateRuleInitParameter>();
HashMap<Variable, RateRuleRateParameter> rateRuleRateParamHash = new HashMap<Variable, RateRuleRateParameter>();
ArrayList<SymbolTableEntry> rateRuleVarTargets = new ArrayList<SymbolTableEntry>();
ArrayList<SymbolTableEntry> assignmentRuleVarTargets = new ArrayList<SymbolTableEntry>();
ArrayList<SymbolTableEntry> eventAssignTargets = new ArrayList<SymbolTableEntry>();
Model model = simContext.getModel();
ModelUnitSystem modelUnitSystem = model.getUnitSystem();
VCUnitDefinition timeUnit = modelUnitSystem.getTimeUnit();
ModelParameter[] modelParameters = model.getModelParameters();
if (simContext.getGeometry().getDimension() == 0) {
//
// global parameters from model (that presently are constants)
//
BioEvent[] bioEvents = simContext.getBioEvents();
if (bioEvents != null && bioEvents.length > 0) {
for (BioEvent be : bioEvents) {
ArrayList<EventAssignment> eventAssignments = be.getEventAssignments();
if (eventAssignments != null) {
for (EventAssignment ea : eventAssignments) {
if (!eventAssignTargets.contains(ea.getTarget())) {
eventAssignTargets.add(ea.getTarget());
}
}
}
}
}
RateRule[] rrs = simContext.getRateRules();
if (rrs != null && rrs.length > 0) {
for (RateRule rr : rrs) {
SymbolTableEntry rrVar = rr.getRateRuleVar();
if (!rateRuleVarTargets.contains(rrVar)) {
rateRuleVarTargets.add(rrVar);
}
}
}
AssignmentRule[] ars = simContext.getAssignmentRules();
if (ars != null && ars.length > 0) {
for (AssignmentRule ar : ars) {
SymbolTableEntry arVar = ar.getAssignmentRuleVar();
if (!assignmentRuleVarTargets.contains(arVar)) {
assignmentRuleVarTargets.add(arVar);
}
}
}
for (int j = 0; j < modelParameters.length; j++) {
Expression modelParamExpr = modelParameters[j].getExpression();
GeometryClass geometryClass = getDefaultGeometryClass(modelParamExpr);
VCUnitDefinition paramUnit = modelParameters[j].getUnitDefinition();
modelParamExpr = getIdentifierSubstitutions(modelParamExpr, paramUnit, geometryClass);
// if (eventAssignTargets.contains(modelParameters[j]) || rateRuleVarTargets.contains(modelParameters[j])) {
if (eventAssignTargets.contains(modelParameters[j])) {
EventAssignmentOrRateRuleInitParameter eap = null;
try {
eap = addEventAssignmentOrRateRuleInitParameter(modelParameters[j], modelParamExpr, PARAMETER_ROLE_EVENTASSIGN_OR_RATERULE_INITCONDN, paramUnit);
} catch (PropertyVetoException e) {
e.printStackTrace(System.out);
throw new MappingException(e.getMessage());
}
if (geometryClass == null) {
GeometryClass[] geometryClasses = simContext.getGeometryContext().getGeometry().getGeometryClasses();
geometryClass = geometryClasses[0];
}
Domain domain = null;
if (geometryClass != null) {
// the volume variable will look like Compartment::g0 rather than just g0
domain = new Domain(geometryClass);
}
VolVariable volVar = new VolVariable(modelParameters[j].getName(), domain);
varHash.addVariable(volVar);
eventVolVarHash.put(volVar, eap);
} else if (rateRuleVarTargets.contains(modelParameters[j])) {
// do nothing, will do elsewhere
;
} else if (assignmentRuleVarTargets.contains(modelParameters[j])) {
// do nothing, will do elsewhere
;
} else {
Variable variable = newFunctionOrConstant(getMathSymbol(modelParameters[j], geometryClass), modelParamExpr, geometryClass);
varHash.addVariable(variable);
}
}
} else {
for (int j = 0; j < modelParameters.length; j++) {
Expression modelParamExpr = modelParameters[j].getExpression();
GeometryClass geometryClass = getDefaultGeometryClass(modelParamExpr);
modelParamExpr = getIdentifierSubstitutions(modelParamExpr, modelParameters[j].getUnitDefinition(), geometryClass);
varHash.addVariable(newFunctionOrConstant(getMathSymbol(modelParameters[j], geometryClass), modelParamExpr, geometryClass));
}
}
//
for (SimulationContextParameter scParameter : simContext.getSimulationContextParameters()) {
Expression scParameterExpression = scParameter.getExpression();
GeometryClass gc = getDefaultGeometryClass(scParameterExpression);
varHash.addVariable(newFunctionOrConstant(getMathSymbol(scParameter, gc), getIdentifierSubstitutions(scParameter.getExpression(), scParameter.getUnitDefinition(), gc), gc));
}
//
for (DataSymbol dataSymbol : simContext.getDataContext().getDataSymbols()) {
if (dataSymbol instanceof FieldDataSymbol) {
FieldDataSymbol fieldDataSymbol = (FieldDataSymbol) dataSymbol;
GeometryClass geometryClass = null;
FieldFunctionArguments ffs = new FieldFunctionArguments(fieldDataSymbol.getExternalDataIdentifier().getName(), fieldDataSymbol.getFieldDataVarName(), new Expression(fieldDataSymbol.getFieldDataVarTime()), VariableType.getVariableTypeFromVariableTypeName(fieldDataSymbol.getFieldDataVarType()));
Expression exp = new Expression(ffs.infix());
varHash.addVariable(newFunctionOrConstant(getMathSymbol(dataSymbol, geometryClass), getIdentifierSubstitutions(exp, dataSymbol.getUnitDefinition(), geometryClass), geometryClass));
} else {
throw new RuntimeException("In Application '" + simContext.getName() + "', dataSymbol type '" + dataSymbol.getClass().getName() + "' not yet supported for math generation");
}
}
//
// 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("In Application '" + simContext.getName() + "', " + 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");
}
//
// volume variables
//
Enumeration<SpeciesContextMapping> enum1 = getSpeciesContextMappings();
while (enum1.hasMoreElements()) {
SpeciesContextMapping scm = enum1.nextElement();
if (scm.getVariable() instanceof VolVariable) {
if (!(mathDesc.getVariable(scm.getVariable().getName()) instanceof VolVariable)) {
varHash.addVariable(scm.getVariable());
}
}
}
//
// membrane variables
//
enum1 = getSpeciesContextMappings();
while (enum1.hasMoreElements()) {
SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
if (scm.getVariable() instanceof MemVariable) {
varHash.addVariable(scm.getVariable());
}
}
//
// volume region variables
//
enum1 = getSpeciesContextMappings();
while (enum1.hasMoreElements()) {
SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
if (scm.getVariable() instanceof VolumeRegionVariable) {
varHash.addVariable(scm.getVariable());
}
}
//
// membrane region variables
//
enum1 = getSpeciesContextMappings();
while (enum1.hasMoreElements()) {
SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
if (scm.getVariable() instanceof MembraneRegionVariable) {
varHash.addVariable(scm.getVariable());
}
}
//
// add compartment and membrane subdomains
//
ArrayList<CompartmentSubdomainContext> compartmentSubdomainContexts = new ArrayList<CompartmentSubdomainContext>();
ArrayList<MembraneSubdomainContext> membraneSubdomainContexts = new ArrayList<MembraneSubdomainContext>();
addSubdomains(model, compartmentSubdomainContexts, membraneSubdomainContexts);
// membrane velocities set on MembraneSubdomains later.
addSpatialProcesses(varHash, compartmentSubdomainContexts, membraneSubdomainContexts);
varHash.addVariable(new Constant(getMathSymbol(model.getPI_CONSTANT(), null), getIdentifierSubstitutions(model.getPI_CONSTANT().getExpression(), model.getPI_CONSTANT().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)));
//
// only calculate potential if at least one MembraneMapping has CalculateVoltage == true
//
boolean bCalculatePotential = false;
for (int i = 0; i < structureMappings.length; i++) {
if (structureMappings[i] instanceof MembraneMapping) {
if (((MembraneMapping) structureMappings[i]).getCalculateVoltage()) {
bCalculatePotential = true;
}
}
}
potentialMapping = new PotentialMapping(simContext, this);
if (bCalculatePotential) {
potentialMapping.computeMath();
//
// copy functions for currents and constants for capacitances
//
ElectricalDevice[] devices = potentialMapping.getElectricalDevices();
for (int j = 0; j < devices.length; j++) {
if (devices[j] instanceof MembraneElectricalDevice) {
MembraneElectricalDevice membraneElectricalDevice = (MembraneElectricalDevice) devices[j];
MembraneMapping memMapping = membraneElectricalDevice.getMembraneMapping();
Parameter specificCapacitanceParm = memMapping.getParameterFromRole(MembraneMapping.ROLE_SpecificCapacitance);
varHash.addVariable(new Constant(getMathSymbol(specificCapacitanceParm, memMapping.getGeometryClass()), getIdentifierSubstitutions(specificCapacitanceParm.getExpression(), specificCapacitanceParm.getUnitDefinition(), memMapping.getGeometryClass())));
ElectricalDevice.ElectricalDeviceParameter transmembraneCurrentParm = membraneElectricalDevice.getParameterFromRole(ElectricalDevice.ROLE_TransmembraneCurrent);
ElectricalDevice.ElectricalDeviceParameter totalCurrentParm = membraneElectricalDevice.getParameterFromRole(ElectricalDevice.ROLE_TotalCurrent);
ElectricalDevice.ElectricalDeviceParameter capacitanceParm = membraneElectricalDevice.getParameterFromRole(ElectricalDevice.ROLE_Capacitance);
GeometryClass geometryClass = membraneElectricalDevice.getMembraneMapping().getGeometryClass();
if (totalCurrentParm != null && /* totalCurrentDensityParm.getExpression()!=null && */
memMapping.getCalculateVoltage()) {
Expression totalCurrentDensityExp = (totalCurrentParm.getExpression() != null) ? (totalCurrentParm.getExpression()) : (new Expression(0.0));
varHash.addVariable(newFunctionOrConstant(getMathSymbol(totalCurrentParm, geometryClass), getIdentifierSubstitutions(totalCurrentDensityExp, totalCurrentParm.getUnitDefinition(), geometryClass), geometryClass));
}
if (transmembraneCurrentParm != null && transmembraneCurrentParm.getExpression() != null && memMapping.getCalculateVoltage()) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(transmembraneCurrentParm, geometryClass), getIdentifierSubstitutions(transmembraneCurrentParm.getExpression(), transmembraneCurrentParm.getUnitDefinition(), geometryClass), geometryClass));
}
if (capacitanceParm != null && capacitanceParm.getExpression() != null && memMapping.getCalculateVoltage()) {
StructureMappingParameter sizeParameter = membraneElectricalDevice.getMembraneMapping().getSizeParameter();
if (simContext.getGeometry().getDimension() == 0 && (sizeParameter.getExpression() == null || sizeParameter.getExpression().isZero())) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(capacitanceParm, geometryClass), getIdentifierSubstitutions(Expression.mult(memMapping.getNullSizeParameterValue(), specificCapacitanceParm.getExpression()), capacitanceParm.getUnitDefinition(), geometryClass), geometryClass));
} else {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(capacitanceParm, geometryClass), getIdentifierSubstitutions(capacitanceParm.getExpression(), capacitanceParm.getUnitDefinition(), geometryClass), geometryClass));
}
}
//
if (membraneElectricalDevice.getDependentVoltageExpression() == null) {
// is Voltage Independent?
StructureMapping.StructureMappingParameter initialVoltageParm = memMapping.getInitialVoltageParameter();
varHash.addVariable(newFunctionOrConstant(getMathSymbol(initialVoltageParm, memMapping.getGeometryClass()), getIdentifierSubstitutions(initialVoltageParm.getExpression(), initialVoltageParm.getUnitDefinition(), memMapping.getGeometryClass()), memMapping.getGeometryClass()));
} else //
// membrane forced potential
//
{
varHash.addVariable(newFunctionOrConstant(getMathSymbol(memMapping.getMembrane().getMembraneVoltage(), memMapping.getGeometryClass()), getIdentifierSubstitutions(membraneElectricalDevice.getDependentVoltageExpression(), memMapping.getMembrane().getMembraneVoltage().getUnitDefinition(), memMapping.getGeometryClass()), memMapping.getGeometryClass()));
}
} else if (devices[j] instanceof CurrentClampElectricalDevice) {
CurrentClampElectricalDevice currentClampDevice = (CurrentClampElectricalDevice) devices[j];
// total current = current source (no capacitance)
Parameter totalCurrentParm = currentClampDevice.getParameterFromRole(CurrentClampElectricalDevice.ROLE_TotalCurrent);
Parameter currentParm = currentClampDevice.getParameterFromRole(CurrentClampElectricalDevice.ROLE_TransmembraneCurrent);
// Parameter dependentVoltage = currentClampDevice.getCurrentClampStimulus().getVoltageParameter();
Feature deviceElectrodeFeature = currentClampDevice.getCurrentClampStimulus().getElectrode().getFeature();
Feature groundElectrodeFeature = simContext.getGroundElectrode().getFeature();
Membrane membrane = model.getStructureTopology().getMembrane(deviceElectrodeFeature, groundElectrodeFeature);
GeometryClass geometryClass = null;
if (membrane != null) {
StructureMapping membraneStructureMapping = simContext.getGeometryContext().getStructureMapping(membrane);
geometryClass = membraneStructureMapping.getGeometryClass();
}
varHash.addVariable(newFunctionOrConstant(getMathSymbol(totalCurrentParm, geometryClass), getIdentifierSubstitutions(totalCurrentParm.getExpression(), totalCurrentParm.getUnitDefinition(), geometryClass), geometryClass));
varHash.addVariable(newFunctionOrConstant(getMathSymbol(currentParm, geometryClass), getIdentifierSubstitutions(currentParm.getExpression(), currentParm.getUnitDefinition(), geometryClass), geometryClass));
// varHash.addVariable(newFunctionOrConstant(getMathSymbol(dependentVoltage,null),getIdentifierSubstitutions(currentClampDevice.getDependentVoltageExpression(),dependentVoltage.getUnitDefinition(),null)));
//
// add user-defined parameters
//
ElectricalDevice.ElectricalDeviceParameter[] parameters = currentClampDevice.getParameters();
for (int k = 0; k < parameters.length; k++) {
if (parameters[k].getExpression() != null) {
// guards against voltage parameters that are "variable".
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parameters[k], null), getIdentifierSubstitutions(parameters[k].getExpression(), parameters[k].getUnitDefinition(), geometryClass), geometryClass));
}
}
} else if (devices[j] instanceof VoltageClampElectricalDevice) {
VoltageClampElectricalDevice voltageClampDevice = (VoltageClampElectricalDevice) devices[j];
Feature deviceElectrodeFeature = voltageClampDevice.getVoltageClampStimulus().getElectrode().getFeature();
Feature groundElectrodeFeature = simContext.getGroundElectrode().getFeature();
Membrane membrane = model.getStructureTopology().getMembrane(deviceElectrodeFeature, groundElectrodeFeature);
GeometryClass geometryClass = null;
if (membrane != null) {
StructureMapping membraneStructureMapping = simContext.getGeometryContext().getStructureMapping(membrane);
geometryClass = membraneStructureMapping.getGeometryClass();
}
// total current = current source (no capacitance)
Parameter totalCurrent = voltageClampDevice.getParameterFromRole(VoltageClampElectricalDevice.ROLE_TotalCurrent);
Parameter totalCurrentParm = voltageClampDevice.getParameterFromRole(VoltageClampElectricalDevice.ROLE_TotalCurrent);
Parameter voltageParm = voltageClampDevice.getParameterFromRole(VoltageClampElectricalDevice.ROLE_Voltage);
varHash.addVariable(newFunctionOrConstant(getMathSymbol(totalCurrent, geometryClass), getIdentifierSubstitutions(totalCurrent.getExpression(), totalCurrent.getUnitDefinition(), geometryClass), geometryClass));
varHash.addVariable(newFunctionOrConstant(getMathSymbol(totalCurrentParm, geometryClass), getIdentifierSubstitutions(totalCurrentParm.getExpression(), totalCurrentParm.getUnitDefinition(), geometryClass), geometryClass));
varHash.addVariable(newFunctionOrConstant(getMathSymbol(voltageParm, geometryClass), getIdentifierSubstitutions(voltageParm.getExpression(), voltageParm.getUnitDefinition(), geometryClass), geometryClass));
//
// add user-defined parameters
//
ElectricalDevice.ElectricalDeviceParameter[] parameters = voltageClampDevice.getParameters();
for (int k = 0; k < parameters.length; k++) {
if (parameters[k].getRole() == ElectricalDevice.ROLE_UserDefined) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parameters[k], geometryClass), getIdentifierSubstitutions(parameters[k].getExpression(), parameters[k].getUnitDefinition(), geometryClass), geometryClass));
}
}
}
}
} else {
//
for (int j = 0; j < structureMappings.length; j++) {
if (structureMappings[j] instanceof MembraneMapping) {
MembraneMapping memMapping = (MembraneMapping) structureMappings[j];
varHash.addVariable(newFunctionOrConstant(getMathSymbol(memMapping.getMembrane().getMembraneVoltage(), memMapping.getGeometryClass()), getIdentifierSubstitutions(memMapping.getInitialVoltageParameter().getExpression(), memMapping.getInitialVoltageParameter().getUnitDefinition(), memMapping.getGeometryClass()), memMapping.getGeometryClass()));
}
}
}
//
for (int j = 0; j < structureMappings.length; j++) {
if (structureMappings[j] instanceof MembraneMapping) {
MembraneMapping membraneMapping = (MembraneMapping) structureMappings[j];
Membrane.MembraneVoltage membraneVoltage = membraneMapping.getMembrane().getMembraneVoltage();
ElectricalDevice[] membraneDevices = potentialMapping.getElectricalDevices(membraneMapping.getMembrane());
// ElectricalDevice membraneDevice = null;
for (int i = 0; i < membraneDevices.length; i++) {
if (membraneDevices[i].hasCapacitance() && membraneDevices[i].getDependentVoltageExpression() == null) {
GeometryClass geometryClass = membraneMapping.getGeometryClass();
if (geometryClass == null) {
throw new MappingException("Application '" + getSimulationContext().getName() + "'\nGeometry->StructureMapping->(" + structureMappings[j].getStructure().getTypeName() + ")'" + structureMappings[j].getStructure().getName() + "' must be mapped to geometry domain.\n(see 'Problems' tab)");
}
Domain domain = new Domain(geometryClass);
if (membraneMapping.getCalculateVoltage() && bCalculatePotential) {
if (geometryClass instanceof SurfaceClass) {
//
if (mathDesc.getVariable(Membrane.MEMBRANE_VOLTAGE_REGION_NAME) == null) {
// varHash.addVariable(new MembraneRegionVariable(MembraneVoltage.MEMBRANE_VOLTAGE_REGION_NAME));
varHash.addVariable(new MembraneRegionVariable(getMathSymbol(membraneVoltage, geometryClass), domain));
}
} else {
//
// spatially unresolved membrane, and must solve for potential ... make VolVariable for this compartment
//
varHash.addVariable(new VolVariable(getMathSymbol(membraneVoltage, geometryClass), domain));
}
Parameter initialVoltageParm = membraneMapping.getInitialVoltageParameter();
Variable initVoltageFunction = newFunctionOrConstant(getMathSymbol(initialVoltageParm, geometryClass), getIdentifierSubstitutions(initialVoltageParm.getExpression(), initialVoltageParm.getUnitDefinition(), geometryClass), geometryClass);
varHash.addVariable(initVoltageFunction);
} else {
//
// don't calculate voltage, still may need it though
//
Parameter initialVoltageParm = membraneMapping.getInitialVoltageParameter();
Variable voltageFunction = newFunctionOrConstant(getMathSymbol(membraneMapping.getMembrane().getMembraneVoltage(), geometryClass), getIdentifierSubstitutions(initialVoltageParm.getExpression(), initialVoltageParm.getUnitDefinition(), geometryClass), geometryClass);
varHash.addVariable(voltageFunction);
}
}
}
}
}
//
for (int j = 0; j < reactionSteps.length; j++) {
ReactionStep rs = reactionSteps[j];
if (simContext.getReactionContext().getReactionSpec(rs).isExcluded()) {
continue;
}
Kinetics.KineticsParameter[] parameters = rs.getKinetics().getKineticsParameters();
GeometryClass geometryClass = null;
if (rs.getStructure() != null) {
geometryClass = simContext.getGeometryContext().getStructureMapping(rs.getStructure()).getGeometryClass();
}
if (parameters != null) {
for (int i = 0; i < parameters.length; i++) {
if (((parameters[i].getRole() == Kinetics.ROLE_CurrentDensity) || (parameters[i].getRole() == Kinetics.ROLE_LumpedCurrent)) && (parameters[i].getExpression() == null || parameters[i].getExpression().isZero())) {
continue;
}
String mathSymbol = getMathSymbol(parameters[i], geometryClass);
Expression expr = getIdentifierSubstitutions(parameters[i].getExpression(), parameters[i].getUnitDefinition(), geometryClass);
varHash.addVariable(newFunctionOrConstant(mathSymbol, expr, geometryClass));
}
}
}
//
// initial conditions (either function or constant) for rate rule variables that are model parameters
//
// the init variables with expressions still containing variables
Map<ModelParameter, Variable> initModelParameterHashTmp = new HashMap<>();
// here we store the init parameter of the model parameter
Map<EventAssignmentOrRateRuleInitParameter, ModelParameter> rateRuleInitToModelParamMapping = new HashMap<>();
// here we store the init parameter of the model parameter
Map<ModelParameter, EventAssignmentOrRateRuleInitParameter> modelParamTorateRuleInitMapping = new HashMap<>();
for (ModelParameter mp : modelParameters) {
// initial assignment for global parameter used as rate rule variable
RateRule rr = simContext.getRateRule(mp);
if (rr == null) {
// we only care about global parameters that are rate rule variables
continue;
}
Variable var = varHash.getVariable(mp.getName());
if (var != null) {
if (eventVolVarHash.containsKey(var)) {
System.out.println("Global Parameters that are rate rule Variables should be unmapped at this point, unless they are EventAssignments too.");
} else {
throw new MappingException("Global Parameters that are rate rule Variables should be unmapped at this point.");
}
}
Expression modelParamExpr = mp.getExpression();
if (modelParamExpr == null) {
continue;
}
GeometryClass gc = getDefaultGeometryClass(modelParamExpr);
VCUnitDefinition paramUnit = modelUnitSystem.getInstance_TBD();
if (mp.getUnitDefinition() != null && !mp.getUnitDefinition().equals(modelUnitSystem.getInstance_TBD())) {
paramUnit = mp.getUnitDefinition();
}
// TODO: is this really needed? or could I directly use modelParamExpr in addEventAssignmentOrRateRuleInitParameter()
Expression mpInitExpr = getIdentifierSubstitutions(modelParamExpr, paramUnit, gc);
EventAssignmentOrRateRuleInitParameter mpInitParam;
try {
mpInitParam = addEventAssignmentOrRateRuleInitParameter(mp, mpInitExpr, PARAMETER_ROLE_EVENTASSIGN_OR_RATERULE_INITCONDN, paramUnit);
} catch (PropertyVetoException e) {
e.printStackTrace(System.out);
throw new MappingException(e.getMessage());
}
rateRuleInitToModelParamMapping.put(mpInitParam, mp);
modelParamTorateRuleInitMapping.put(mp, mpInitParam);
}
//
for (int i = 0; i < fieldMathMappingParameters.length; i++) {
GeometryClass geometryClass = fieldMathMappingParameters[i].getGeometryClass();
fieldMathMappingParameters[i].getExpression().bindExpression(this);
Expression exp = getIdentifierSubstitutions(fieldMathMappingParameters[i].getExpression(), fieldMathMappingParameters[i].getUnitDefinition(), geometryClass);
Variable var = newFunctionOrConstant(getMathSymbol(fieldMathMappingParameters[i], geometryClass), exp, geometryClass);
varHash.addVariable(var);
ModelParameter mp = rateRuleInitToModelParamMapping.get(fieldMathMappingParameters[i]);
if (mp != null) {
initModelParameterHashTmp.put(mp, var);
}
}
//
// initial conditions (either function or constant) for species variables
//
SpeciesContextSpec[] speciesContextSpecs = simContext.getReactionContext().getSpeciesContextSpecs();
for (int i = 0; i < speciesContextSpecs.length; i++) {
// add initial count if present (!= null)
SpeciesContextSpecParameter initCountParm = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_InitialCount);
SpeciesContext speciesContext = speciesContextSpecs[i].getSpeciesContext();
if (initCountParm != null && initCountParm.getExpression() != null) {
Expression initCountExpr = new Expression(initCountParm.getExpression());
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(speciesContext.getStructure());
String[] symbols = initCountExpr.getSymbols();
// Check if 'initExpr' has other speciesContexts in its expression, need to replace it with 'spContext_init'
for (int j = 0; symbols != null && j < symbols.length; j++) {
// if symbol is a speciesContext, replacing it with a reference to initial condition for that speciesContext.
SpeciesContext spC = null;
SymbolTableEntry ste = initCountExpr.getSymbolBinding(symbols[j]);
if (ste instanceof SpeciesContextSpecProxyParameter) {
SpeciesContextSpecProxyParameter spspp = (SpeciesContextSpecProxyParameter) ste;
if (spspp.getTarget() instanceof SpeciesContext) {
spC = (SpeciesContext) spspp.getTarget();
SpeciesContextSpec spcspec = simContext.getReactionContext().getSpeciesContextSpec(spC);
SpeciesContextSpecParameter spCInitParm = spcspec.getParameterFromRole(SpeciesContextSpec.ROLE_InitialCount);
// need to get init condn expression, but can't get it from getMathSymbol() (mapping between bio and math), hence get it as below.
Expression scsInitExpr = new Expression(spCInitParm, getNameScope());
initCountExpr.substituteInPlace(new Expression(spC.getName()), scsInitExpr);
}
}
}
// now create the appropriate function for the current speciesContextSpec.
varHash.addVariable(newFunctionOrConstant(getMathSymbol(initCountParm, sm.getGeometryClass()), getIdentifierSubstitutions(initCountExpr, initCountParm.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
// add initial concentration (may be derived from initial count if necessary)
SpeciesContextSpecParameter initConcParm = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration);
if (initConcParm != null) {
Expression initConcExpr = null;
if (initConcParm.getExpression() != null) {
initConcExpr = new Expression(initConcParm.getExpression());
} else if (initCountParm != null && initCountParm.getExpression() != null) {
Expression structureSizeExpr = new Expression(speciesContext.getStructure().getStructureSize(), getNameScope());
VCUnitDefinition concUnit = initConcParm.getUnitDefinition();
VCUnitDefinition countDensityUnit = initCountParm.getUnitDefinition().divideBy(speciesContext.getStructure().getStructureSize().getUnitDefinition());
Expression unitFactor = getUnitFactor(concUnit.divideBy(countDensityUnit));
initConcExpr = Expression.mult(Expression.div(new Expression(initCountParm, getNameScope()), structureSizeExpr), unitFactor);
}
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(speciesContext.getStructure());
String[] symbols = initConcExpr.getSymbols();
// Check if 'initExpr' has other speciesContexts in its expression, need to replace it with 'spContext_init'
for (int j = 0; symbols != null && j < symbols.length; j++) {
// if symbol is a speciesContext, replacing it with a reference to initial condition for that speciesContext.
SpeciesContext spC = null;
SymbolTableEntry ste = initConcExpr.getSymbolBinding(symbols[j]);
if (ste == null) {
String msg = initConcParm.getName() == null ? "??" : initConcParm.getName();
System.out.println("Unexpected NULL symbol in the initial expression of " + msg);
} else if (ste instanceof SpeciesContextSpecProxyParameter) {
SpeciesContextSpecProxyParameter spspp = (SpeciesContextSpecProxyParameter) ste;
if (spspp.getTarget() instanceof SpeciesContext) {
spC = (SpeciesContext) spspp.getTarget();
SpeciesContextSpec spcspec = simContext.getReactionContext().getSpeciesContextSpec(spC);
SpeciesContextSpecParameter spCInitParm = spcspec.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration);
// if initConc param expression is null, try initCount
if (spCInitParm.getExpression() == null) {
spCInitParm = spcspec.getParameterFromRole(SpeciesContextSpec.ROLE_InitialCount);
}
// need to get init condn expression, but can't get it from getMathSymbol() (mapping between bio and math), hence get it as below.
Expression scsInitExpr = new Expression(spCInitParm, getNameScope());
initConcExpr.substituteInPlace(new Expression(spC.getName()), scsInitExpr);
}
} else if (ste instanceof ModelParameter) {
ModelParameter mpArg = (ModelParameter) ste;
System.out.println(mpArg.getName());
if (simContext.getRateRule(mpArg) == null) {
// only globals that are RateRule variables need to be replaced with their _init variable
continue;
}
EventAssignmentOrRateRuleInitParameter mpInitParam = modelParamTorateRuleInitMapping.get(mpArg);
if (mpInitParam != null) {
// we already made it, we only need to use it
Expression mpArgInitExpr = new Expression(mpInitParam, getNameScope());
initConcExpr.substituteInPlace(new Expression(ste.getName()), mpArgInitExpr);
}
} else {
String msg = ste.getName() == null ? "??" : ste.getName();
String msg2 = initConcParm.getName() == null ? "??" : initConcParm.getName();
System.out.println("Unexpected symbol type for " + msg + " in the initial expression of " + msg2);
}
}
// now create the appropriate function for the current speciesContextSpec.
varHash.addVariable(newFunctionOrConstant(getMathSymbol(initConcParm, sm.getGeometryClass()), getIdentifierSubstitutions(initConcExpr, initConcParm.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
}
//
for (int i = 0; i < speciesContextSpecs.length; i++) {
SpeciesContextMapping scm = getSpeciesContextMapping(speciesContextSpecs[i].getSpeciesContext());
SpeciesContextSpec.SpeciesContextSpecParameter diffParm = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_DiffusionRate);
if (diffParm != null && (scm.isPDERequired())) {
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(speciesContextSpecs[i].getSpeciesContext().getStructure());
varHash.addVariable(newFunctionOrConstant(getMathSymbol(diffParm, sm.getGeometryClass()), getIdentifierSubstitutions(diffParm.getExpression(), diffParm.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
}
//
for (int i = 0; i < speciesContextSpecs.length; i++) {
SpeciesContextSpec.SpeciesContextSpecParameter bc_xm = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_BoundaryValueXm);
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(speciesContextSpecs[i].getSpeciesContext().getStructure());
if (bc_xm != null && (bc_xm.getExpression() != null)) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(bc_xm, sm.getGeometryClass()), getIdentifierSubstitutions(bc_xm.getExpression(), bc_xm.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
SpeciesContextSpec.SpeciesContextSpecParameter bc_xp = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_BoundaryValueXp);
if (bc_xp != null && (bc_xp.getExpression() != null)) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(bc_xp, sm.getGeometryClass()), getIdentifierSubstitutions(bc_xp.getExpression(), bc_xp.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
SpeciesContextSpec.SpeciesContextSpecParameter bc_ym = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_BoundaryValueYm);
if (bc_ym != null && (bc_ym.getExpression() != null)) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(bc_ym, sm.getGeometryClass()), getIdentifierSubstitutions(bc_ym.getExpression(), bc_ym.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
SpeciesContextSpec.SpeciesContextSpecParameter bc_yp = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_BoundaryValueYp);
if (bc_yp != null && (bc_yp.getExpression() != null)) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(bc_yp, sm.getGeometryClass()), getIdentifierSubstitutions(bc_yp.getExpression(), bc_yp.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
SpeciesContextSpec.SpeciesContextSpecParameter bc_zm = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_BoundaryValueZm);
if (bc_zm != null && (bc_zm.getExpression() != null)) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(bc_zm, sm.getGeometryClass()), getIdentifierSubstitutions(bc_zm.getExpression(), bc_zm.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
SpeciesContextSpec.SpeciesContextSpecParameter bc_zp = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_BoundaryValueZp);
if (bc_zp != null && (bc_zp.getExpression() != null)) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(bc_zp, sm.getGeometryClass()), getIdentifierSubstitutions(bc_zp.getExpression(), bc_zp.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
}
//
for (int i = 0; i < speciesContextSpecs.length; i++) {
SpeciesContextSpec.SpeciesContextSpecParameter advection_velX = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_VelocityX);
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(speciesContextSpecs[i].getSpeciesContext().getStructure());
GeometryClass geometryClass = sm.getGeometryClass();
if (advection_velX != null && (advection_velX.getExpression() != null)) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(advection_velX, geometryClass), getIdentifierSubstitutions(advection_velX.getExpression(), advection_velX.getUnitDefinition(), geometryClass), geometryClass));
}
SpeciesContextSpec.SpeciesContextSpecParameter advection_velY = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_VelocityY);
if (advection_velY != null && (advection_velY.getExpression() != null)) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(advection_velY, geometryClass), getIdentifierSubstitutions(advection_velY.getExpression(), advection_velY.getUnitDefinition(), geometryClass), geometryClass));
}
SpeciesContextSpec.SpeciesContextSpecParameter advection_velZ = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_VelocityZ);
if (advection_velZ != null && (advection_velZ.getExpression() != null)) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(advection_velZ, geometryClass), getIdentifierSubstitutions(advection_velZ.getExpression(), advection_velZ.getUnitDefinition(), geometryClass), geometryClass));
}
}
//
// 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());
}
}
//
// conversion factors
//
varHash.addVariable(new Constant(model.getKMOLE().getName(), getIdentifierSubstitutions(model.getKMOLE().getExpression(), model.getKMOLE().getUnitDefinition(), null)));
varHash.addVariable(new Constant(model.getN_PMOLE().getName(), getIdentifierSubstitutions(model.getN_PMOLE().getExpression(), model.getN_PMOLE().getUnitDefinition(), null)));
varHash.addVariable(new Constant(model.getKMILLIVOLTS().getName(), getIdentifierSubstitutions(model.getKMILLIVOLTS().getExpression(), model.getKMILLIVOLTS().getUnitDefinition(), null)));
varHash.addVariable(new Constant(model.getK_GHK().getName(), getIdentifierSubstitutions(model.getK_GHK().getExpression(), model.getK_GHK().getUnitDefinition(), null)));
//
for (int i = 0; i < structureMappings.length; i++) {
StructureMapping sm = structureMappings[i];
if (simContext.getGeometry().getDimension() == 0) {
StructureMappingParameter sizeParm = sm.getSizeParameter();
if (sizeParm != null && sizeParm.getExpression() != null) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(sizeParm, sm.getGeometryClass()), getIdentifierSubstitutions(sizeParm.getExpression(), sizeParm.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
} else {
if (sm instanceof MembraneMapping) {
MembraneMapping mm = (MembraneMapping) sm;
StructureMappingParameter volFrac = mm.getVolumeFractionParameter();
if (volFrac != null && volFrac.getExpression() != null) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(volFrac, sm.getGeometryClass()), getIdentifierSubstitutions(volFrac.getExpression(), volFrac.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
StructureMappingParameter surfToVol = mm.getSurfaceToVolumeParameter();
if (surfToVol != null && surfToVol.getExpression() != null) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(surfToVol, sm.getGeometryClass()), getIdentifierSubstitutions(surfToVol.getExpression(), surfToVol.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
}
}
} else {
Parameter parm = sm.getParameterFromRole(StructureMapping.ROLE_AreaPerUnitArea);
if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SurfaceClass) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm.getGeometryClass()), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
parm = sm.getParameterFromRole(StructureMapping.ROLE_AreaPerUnitVolume);
if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SubVolume) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm.getGeometryClass()), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
parm = sm.getParameterFromRole(StructureMapping.ROLE_VolumePerUnitArea);
if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SurfaceClass) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm.getGeometryClass()), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
parm = sm.getParameterFromRole(StructureMapping.ROLE_VolumePerUnitVolume);
if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SubVolume) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm.getGeometryClass()), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
}
StructureMappingParameter sizeParm = sm.getSizeParameter();
if (sm.getGeometryClass() != null && sizeParm != null) {
if (simContext.getGeometry().getDimension() == 0) {
if (sizeParm.getExpression() != null) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(sizeParm, sm.getGeometryClass()), getIdentifierSubstitutions(sizeParm.getExpression(), sizeParm.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
} else {
String compartmentName = sm.getGeometryClass().getName();
VCUnitDefinition sizeUnit = sm.getSizeParameter().getUnitDefinition();
String sizeFunctionName = null;
if (sm instanceof MembraneMapping) {
MembraneMapping mm = (MembraneMapping) sm;
if (mm.getGeometryClass() instanceof SurfaceClass) {
sizeFunctionName = MathFunctionDefinitions.Function_regionArea_current.getFunctionName();
} else if (mm.getGeometryClass() instanceof SubVolume) {
sizeFunctionName = MathFunctionDefinitions.Function_regionVolume_current.getFunctionName();
}
} else if (sm instanceof FeatureMapping) {
sizeFunctionName = MathFunctionDefinitions.Function_regionVolume_current.getFunctionName();
} else {
throw new RuntimeException("structure mapping " + sm.getClass().getName() + " not yet supported");
}
Expression totalVolumeCorrection = sm.getStructureSizeCorrection(simContext, this);
Expression sizeFunctionExpression = Expression.function(sizeFunctionName, new Expression[] { new Expression("'" + compartmentName + "'") });
// sizeFunctionExpression.bindExpression(mathDesc);
varHash.addVariable(newFunctionOrConstant(getMathSymbol(sizeParm, sm.getGeometryClass()), getIdentifierSubstitutions(Expression.mult(totalVolumeCorrection, sizeFunctionExpression), sizeUnit, sm.getGeometryClass()), sm.getGeometryClass()));
}
}
}
//
// functions
//
enum1 = getSpeciesContextMappings();
while (enum1.hasMoreElements()) {
SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
if (scm.getVariable() == null && scm.getDependencyExpression() != null) {
// check if speciesContext has a rateRule; then the speciesContext should not be added as a constant
if (simContext.getRateRule(scm.getSpeciesContext()) == null) {
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(scm.getSpeciesContext().getStructure());
if (sm.getGeometryClass() == null) {
Structure s = sm.getStructure();
if (s != null) {
throw new RuntimeException("unmapped structure " + s.getName());
}
throw new RuntimeException("structure mapping with no structure or mapping");
}
Variable dependentVariable = newFunctionOrConstant(getMathSymbol(scm.getSpeciesContext(), sm.getGeometryClass()), getIdentifierSubstitutions(scm.getDependencyExpression(), scm.getSpeciesContext().getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass());
dependentVariable.setDomain(new Domain(sm.getGeometryClass()));
varHash.addVariable(dependentVariable);
}
}
}
BioEvent[] bioevents = simContext.getBioEvents();
if (bioevents != null && bioevents.length > 0) {
for (BioEvent be : bioevents) {
// transform the bioEvent trigger/delay to math Event
for (LocalParameter p : be.getEventParameters()) {
if (p.getExpression() != null) {
// ex: eventName.delay and eventName.triggerFunction
String name = getMathSymbol(p, null);
Expression exp = getIdentifierSubstitutions(p.getExpression(), p.getUnitDefinition(), null);
Variable var = newFunctionOrConstant(name, exp, null);
varHash.addVariable(var);
} else if (be.getParameter(BioEventParameterType.GeneralTriggerFunction) == p) {
//
// use generated function here.
//
String name = getMathSymbol(p, null);
Expression exp = getIdentifierSubstitutions(be.generateTriggerExpression(), p.getUnitDefinition(), null);
Variable var = newFunctionOrConstant(name, exp, null);
varHash.addVariable(var);
}
}
}
}
//
// substitute init functions for event assignment variables
//
// for (Map.Entry<VolVariable,EventAssignmentOrRateRuleInitParameter> entry : eventVolVarHash.entrySet()) {
// EventAssignmentOrRateRuleInitParameter eap = entry.getValue();
//
// String argName = eap.getName();
// Expression modelParamExpr = eap.getExpression();
// GeometryClass gc = getDefaultGeometryClass(modelParamExpr);
// VCUnitDefinition paramUnit = eap.getUnitDefinition();
// Expression mpInitExpr = new Expression(modelParamExpr);
// String[] symbols = mpInitExpr.getSymbols();
// if(symbols == null || symbols.length == 0) {
// continue;
// }
// // TODO: this is still not working well
// // check if 'initExpr' has other speciesContexts or rate rule global parameter variables in its expression
// // need to replace it with 'spContext_init', modelParameter_init
// for (String symbol : symbols) {
// // if symbol is a speciesContext, replacing it with a reference to initial condition for that speciesContext.
// SymbolTableEntry ste = mpInitExpr.getSymbolBinding(symbol);
// if (ste == null) {
// System.out.println("Unexpected NULL symbol in the initial expression of " + argName);
// } else if (ste instanceof SpeciesContext) {
// SpeciesContextSpec scs = simContext.getReactionContext().getSpeciesContextSpec((SpeciesContext)ste);
// // TODO: what if initial count???
// SpeciesContextSpecParameter spCInitParm = scs.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration);
// // need to get init condn expression, but can't get it from getMathSymbol() (mapping between bio and math), hence get it as below.
// Expression scsInitExpr = new Expression(spCInitParm, getNameScope());
// mpInitExpr.substituteInPlace(new Expression(ste.getName()), scsInitExpr);
// } else if(ste instanceof ModelParameter) {
// ModelParameter mpArg = (ModelParameter)ste;
// System.out.println(mpArg.getName());
// if(simContext.getRateRule(mpArg) == null) {
// continue; // only globals that are RateRule variables need to be replaced with their _init variable
// }
// Variable mpArgVar = initModelParameterHashTmp.get(mpArg);
// if(mpArgVar != null && eventVolVarHash.get(mpArgVar) != null) {
// EventAssignmentOrRateRuleInitParameter mpInitParam = eventVolVarHash.get(mpArgVar);
// Expression mpArgInitExpr = new Expression(mpInitParam, getNameScope());
// mpInitExpr.substituteInPlace(new Expression(ste.getName()), mpArgInitExpr);
//
// }
// } else {
// String msg = ste.getName() == null ? "??" : ste.getName();
// System.out.println("Unexpected symbol type for " + msg + " in the initial expression of " + argName);
// }
// }
// varHash.removeVariable(argName);
// Expression exp = getIdentifierSubstitutions(mpInitExpr, paramUnit, gc);
// Variable varInit = newFunctionOrConstant(argName, exp, gc);
// varHash.addVariable(varInit);
// }
//
// deal with rate rules
//
// first, substitute the init functions for rate rule variables that are model parameters
// we'll need this init variable (function or constant) for the ODE Equation
//
// here we store the init variable with the final substitutions within their expressions
Map<ModelParameter, Variable> initModelParameterHash = new HashMap<>();
Map<String, SymbolTableEntry> entryMap = new HashMap<String, SymbolTableEntry>();
simContext.getEntries(entryMap);
for (Map.Entry<ModelParameter, Variable> entry : initModelParameterHashTmp.entrySet()) {
ModelParameter mp = entry.getKey();
Variable mpInitVariable = entry.getValue();
String argName = mpInitVariable.getName();
Expression modelParamExpr = mp.getExpression();
GeometryClass gc = getDefaultGeometryClass(modelParamExpr);
Expression mpInitExpr = new Expression(modelParamExpr);
String[] symbols = mpInitExpr.getSymbols();
if (symbols == null || symbols.length == 0) {
// stays as it is in variable hash
// we just move it into the initModelParameterHash
initModelParameterHash.put(mp, mpInitVariable);
continue;
}
// need to replace it with 'spContext_init', modelParameter_init
for (String symbol : symbols) {
// if symbol is a speciesContext, replacing it with a reference to initial condition for that speciesContext.
SymbolTableEntry ste = mpInitExpr.getSymbolBinding(symbol);
if (ste == null) {
System.out.println("Unexpected NULL symbol in the initial expression of " + argName);
} else if (ste instanceof SpeciesContext) {
SpeciesContextSpec scs = simContext.getReactionContext().getSpeciesContextSpec((SpeciesContext) ste);
// TODO: what if initial count???
SpeciesContextSpecParameter spCInitParm = scs.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration);
// need to get init condn expression, but can't get it from getMathSymbol() (mapping between bio and math), hence get it as below.
Expression scsInitExpr = new Expression(spCInitParm, getNameScope());
mpInitExpr.substituteInPlace(new Expression(ste.getName()), scsInitExpr);
} else if (ste instanceof ModelParameter) {
ModelParameter mpArg = (ModelParameter) ste;
System.out.println(mpArg.getName());
if (simContext.getRateRule(mpArg) == null) {
// only globals that are RateRule variables need to be replaced with their _init variable
continue;
}
EventAssignmentOrRateRuleInitParameter mpInitParam = modelParamTorateRuleInitMapping.get(mpArg);
if (mpInitParam != null) {
// we already made it, we only need to use it
Expression mpArgInitExpr = new Expression(mpInitParam, getNameScope());
mpInitExpr.substituteInPlace(new Expression(ste.getName()), mpArgInitExpr);
}
} else {
String msg = ste.getName() == null ? "??" : ste.getName();
System.out.println("Unexpected symbol type for " + msg + " in the initial expression of " + argName);
}
}
VCUnitDefinition paramUnit = modelUnitSystem.getInstance_TBD();
if (mp.getUnitDefinition() != null && !mp.getUnitDefinition().equals(modelUnitSystem.getInstance_TBD())) {
paramUnit = mp.getUnitDefinition();
}
varHash.removeVariable(mpInitVariable);
Expression exp = getIdentifierSubstitutions(mpInitExpr, paramUnit, gc);
mpInitVariable = newFunctionOrConstant(argName, exp, gc);
varHash.addVariable(mpInitVariable);
initModelParameterHash.put(mp, mpInitVariable);
}
//
// create the VolVariable for the species context used as rate rule variable
// create the Variable (function or constant) for its rate (need it for the ODE Equation)
//
enum1 = getSpeciesContextMappings();
while (enum1.hasMoreElements()) {
// species context used as rate rule variable
SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
Variable var = scm.getVariable();
Expression exp = scm.getDependencyExpression();
if (var == null && exp != null) {
RateRule rr = simContext.getRateRule(scm.getSpeciesContext());
if (rr != null && (rr.getRateRuleVar() instanceof SpeciesContext)) {
SpeciesContext sc = scm.getSpeciesContext();
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(sc.getStructure());
if (sm.getGeometryClass() == null) {
Structure s = sm.getStructure();
if (s != null) {
throw new RuntimeException("unmapped structure " + s.getName());
}
throw new RuntimeException("structure mapping with no structure or mapping");
}
String name = getMathSymbol(scm.getSpeciesContext(), sm.getGeometryClass());
Expression orig = rr.getRateRuleExpression();
Expression ex = getIdentifierSubstitutions(orig, scm.getSpeciesContext().getUnitDefinition(), sm.getGeometryClass());
GeometryClass gc = sm.getGeometryClass();
Domain domain = null;
if (gc != null) {
domain = new Domain(gc);
}
if (gc instanceof SurfaceClass) {
scm.setVariable(new MemVariable(scm.getSpeciesContext().getName(), domain));
} else {
scm.setVariable(new VolVariable(scm.getSpeciesContext().getName(), domain));
}
Variable oldVariablre = varHash.getVariable(name);
if (oldVariablre != null) {
// should always be null
varHash.removeVariable(name);
}
varHash.addVariable(scm.getVariable());
// // create the rate parameter
SpeciesContextSpec scs = simContext.getReactionContext().getSpeciesContextSpec(sc);
SpeciesContextSpecParameter scsInitParam = scs.getInitialConditionParameter();
VCUnitDefinition scsInitParamUnit = scsInitParam.getUnitDefinition();
RateRuleRateParameter rateParam = null;
try {
Expression origExp = simContext.getRateRule(sc).getRateRuleExpression();
VCUnitDefinition rateUnit = modelUnitSystem.getInstance_TBD();
if (scsInitParamUnit != null && !scsInitParamUnit.equals(modelUnitSystem.getInstance_TBD())) {
rateUnit = scsInitParamUnit;
}
Expression rateExpr = getIdentifierSubstitutions(origExp, rateUnit, gc);
String argName = sc.getName() + MATH_FUNC_SUFFIX_RATERULE_RATE;
Variable param = newFunctionOrConstant(argName, rateExpr, gc);
varHash.addVariable(param);
rateParam = addRateRuleRateParameter(sc, rateExpr, PARAMETER_ROLE_RATERULE_RATE, rateUnit);
} catch (PropertyVetoException e) {
e.printStackTrace(System.out);
throw new MappingException(e.getMessage());
}
// we generate the ODE equation elsewhere (later)
rateRuleRateParamHash.put(scm.getVariable(), rateParam);
}
} else if (var != null && exp == null) {
// could be an event variable AND a rate rule variable - in which case we need a rate parameter for the event ODE equation
SpeciesContext sc = scm.getSpeciesContext();
boolean isRateRuleVar = rateRuleVarTargets.contains(sc);
boolean isEventAssignVar = eventAssignTargets.contains(sc);
if (isRateRuleVar && isEventAssignVar) {
// is both, so we make a rate parameter, like above
SpeciesContextSpec scs = simContext.getReactionContext().getSpeciesContextSpec(sc);
SpeciesContextSpecParameter scsInitParam = scs.getInitialConditionParameter();
VCUnitDefinition scsInitParamUnit = scsInitParam.getUnitDefinition();
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(sc.getStructure());
GeometryClass gc = sm.getGeometryClass();
RateRuleRateParameter rateParam = null;
try {
Expression origExp = simContext.getRateRule(sc).getRateRuleExpression();
VCUnitDefinition rateUnit = modelUnitSystem.getInstance_TBD();
if (scsInitParamUnit != null && !scsInitParamUnit.equals(modelUnitSystem.getInstance_TBD())) {
rateUnit = scsInitParamUnit;
}
Expression rateExpr = getIdentifierSubstitutions(origExp, rateUnit, gc);
String argName = sc.getName() + MATH_FUNC_SUFFIX_RATERULE_RATE;
Variable param = newFunctionOrConstant(argName, rateExpr, gc);
varHash.addVariable(param);
rateParam = addRateRuleRateParameter(sc, rateExpr, PARAMETER_ROLE_RATERULE_RATE, rateUnit);
} catch (PropertyVetoException e) {
e.printStackTrace(System.out);
throw new MappingException(e.getMessage());
}
// we generate the ODE equation elsewhere (later)
rateRuleRateParamHash.put(var, rateParam);
}
}
}
//
for (ModelParameter mp : modelParameters) {
// global parameter used as rate rule variable
Variable var = varHash.getVariable(mp.getName());
RateRule rr = simContext.getRateRule(mp);
Expression modelParamExpr = mp.getExpression();
if (var == null && rr != null) {
// at this point var should be a constant
// we're under the assumption that it's non-spatial
GeometryClass[] geometryClasses = simContext.getGeometryContext().getGeometry().getGeometryClasses();
GeometryClass gc = geometryClasses[0];
// SubDomain subDomain = mathDesc.getSubDomains().nextElement();
// GeometryClass gc = getDefaultGeometryClass(modelParamExpr);
Domain domain = null;
if (gc != null) {
domain = new Domain(gc);
}
Variable variable;
if (gc instanceof SurfaceClass) {
variable = new MemVariable(mp.getName(), domain);
} else {
variable = new VolVariable(mp.getName(), domain);
}
varHash.addVariable(variable);
RateRuleRateParameter rateParam = null;
try {
Expression origExp = rr.getRateRuleExpression();
VCUnitDefinition rateUnit = modelUnitSystem.getInstance_TBD();
if (mp.getUnitDefinition() != null && !mp.getUnitDefinition().equals(modelUnitSystem.getInstance_TBD())) {
rateUnit = mp.getUnitDefinition().divideBy(timeUnit);
}
Expression rateExpr = getIdentifierSubstitutions(origExp, rateUnit, gc);
String argName = mp.getName() + MATH_FUNC_SUFFIX_RATERULE_RATE;
Variable param = newFunctionOrConstant(argName, rateExpr, gc);
varHash.addVariable(param);
rateParam = addRateRuleRateParameter(mp, rateExpr, PARAMETER_ROLE_RATERULE_RATE, rateUnit);
} catch (PropertyVetoException e) {
e.printStackTrace(System.out);
throw new MappingException(e.getMessage());
}
// no need to put it in the hash, we make the ODE Equation right here
// rateRuleRateParamHash.put(variable, rateParam);
// we know it's non-spatial
SubDomain subDomain = mathDesc.getSubDomains().nextElement();
Equation equation = null;
// TODO: replace the expression with the variable ex: "g0_protocol_init" computed above
Expression initial = new Expression(mp.getExpression());
// TODO: can it be null? should check and maybe try mp.getConstantValue() too ???
Variable mpInitVariable = initModelParameterHash.get(mp);
if (mpInitVariable != null) {
initial = new Expression(mpInitVariable.getName());
}
Expression rateExpr = new Expression(0.0);
// RateRuleRateParameter rateParam = rateRuleRateParamHash.get(variable);
if (rateParam != null) {
// ex: g0_rate
rateExpr = new Expression(getMathSymbol(rateParam, gc));
}
// ODE Equation for rate rule variable being a global parameter
equation = new OdeEquation(variable, initial, rateExpr);
subDomain.addEquation(equation);
}
}
//
// deal with assignment rules
//
enum1 = getSpeciesContextMappings();
while (enum1.hasMoreElements()) {
// species context used as assignment rule variable
SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
if (scm.getVariable() == null && scm.getDependencyExpression() != null) {
AssignmentRule ar = simContext.getAssignmentRule(scm.getSpeciesContext());
if (ar != null && (ar.getAssignmentRuleVar() instanceof SpeciesContext)) {
// TODO: we limit assignment rules to SpeciesContext for now
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(scm.getSpeciesContext().getStructure());
if (sm.getGeometryClass() == null) {
Structure s = sm.getStructure();
if (s != null) {
throw new RuntimeException("unmapped structure " + s.getName());
}
throw new RuntimeException("structure mapping with no structure or mapping");
}
String name = getMathSymbol(scm.getSpeciesContext(), sm.getGeometryClass());
Expression orig = ar.getAssignmentRuleExpression();
Expression ex = getIdentifierSubstitutions(orig, scm.getSpeciesContext().getUnitDefinition(), sm.getGeometryClass());
GeometryClass gc = sm.getGeometryClass();
Variable dependentVariable = newFunctionOrConstant(name, ex, gc);
dependentVariable.setDomain(new Domain(sm.getGeometryClass()));
varHash.removeVariable(name);
varHash.addVariable(dependentVariable);
}
}
}
for (ModelParameter mp : modelParameters) {
// global parameter used as assignment rule variable
Variable var = varHash.getVariable(mp.getName());
AssignmentRule ar = simContext.getAssignmentRule(mp);
Expression modelParamExpr = mp.getExpression();
if (var == null && ar != null) {
// at this point var (global parameter used as assignment rule variable) should be null
// we're under the assumption that it's non-spatial
GeometryClass[] geometryClasses = simContext.getGeometryContext().getGeometry().getGeometryClasses();
GeometryClass gc = geometryClasses[0];
SubDomain subDomain = mathDesc.getSubDomains().nextElement();
Expression origExp = ar.getAssignmentRuleExpression();
VCUnitDefinition rateUnit = modelUnitSystem.getInstance_TBD();
if (mp.getUnitDefinition() != null && !mp.getUnitDefinition().equals(modelUnitSystem.getInstance_TBD())) {
rateUnit = mp.getUnitDefinition();
}
Expression rateExpr = getIdentifierSubstitutions(origExp, rateUnit, gc);
String argName = mp.getName();
Variable param = newFunctionOrConstant(argName, rateExpr, gc);
varHash.addVariable(param);
}
}
//
// set Variables to MathDescription all at once with the order resolved by "VariableHash"
//
mathDesc.setAllVariables(varHash.getAlphabeticallyOrderedVariables());
//
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");
}
//
for (CompartmentSubdomainContext compartmentSubDomainContext : compartmentSubdomainContexts) {
SubVolume subVolume = compartmentSubDomainContext.subvolume;
CompartmentSubDomain subDomain = mathDesc.getCompartmentSubDomain(subVolume.getName());
//
// assign boundary condition types
//
StructureMapping[] mappedSMs = simContext.getGeometryContext().getStructureMappings(subVolume);
FeatureMapping mappedFM = null;
for (int i = 0; i < mappedSMs.length; i++) {
if (mappedSMs[i] instanceof FeatureMapping) {
if (mappedFM != null) {
lg.warn("WARNING:::: MathMapping.refreshMathDescription() ... assigning boundary condition types not unique");
}
mappedFM = (FeatureMapping) mappedSMs[i];
}
}
if (mappedFM != null) {
if (simContext.getGeometry().getDimension() > 0) {
subDomain.setBoundaryConditionXm(mappedFM.getBoundaryConditionTypeXm());
subDomain.setBoundaryConditionXp(mappedFM.getBoundaryConditionTypeXp());
}
if (simContext.getGeometry().getDimension() > 1) {
subDomain.setBoundaryConditionYm(mappedFM.getBoundaryConditionTypeYm());
subDomain.setBoundaryConditionYp(mappedFM.getBoundaryConditionTypeYp());
}
if (simContext.getGeometry().getDimension() > 2) {
subDomain.setBoundaryConditionZm(mappedFM.getBoundaryConditionTypeZm());
subDomain.setBoundaryConditionZp(mappedFM.getBoundaryConditionTypeZp());
}
}
//
// create equations
//
VolumeStructureAnalyzer structureAnalyzer = getVolumeStructureAnalyzer(subVolume);
Enumeration<SpeciesContextMapping> enumSCM = getSpeciesContextMappings();
while (enumSCM.hasMoreElements()) {
SpeciesContextMapping scm = enumSCM.nextElement();
SpeciesContext sc = scm.getSpeciesContext();
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(sc.getStructure());
SpeciesContextSpec scs = simContext.getReactionContext().getSpeciesContextSpec(sc);
//
// if an independent volume variable, then create equation for it (if mapped to this subDomain)
//
final GeometryClass gc = sm.getGeometryClass();
if (gc == null || !gc.getName().equals(subDomain.getName())) {
continue;
}
SpeciesContextSpecParameter initConcParameter = scs.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration);
if ((scm.getVariable() instanceof VolumeRegionVariable) && scm.getDependencyExpression() == null) {
VolumeRegionVariable volumeRegionVariable = (VolumeRegionVariable) scm.getVariable();
Expression initial = getIdentifierSubstitutions(new Expression(initConcParameter, getNameScope()), initConcParameter.getUnitDefinition(), sm.getGeometryClass());
Expression rate = getIdentifierSubstitutions(scm.getRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), simContext.getGeometryContext().getStructureMapping(sc.getStructure()).getGeometryClass());
VolumeRegionEquation volumeRegionEquation = new VolumeRegionEquation(volumeRegionVariable, initial);
volumeRegionEquation.setVolumeRateExpression(rate);
subDomain.addEquation(volumeRegionEquation);
} else if (scm.getVariable() instanceof VolVariable && scm.getDependencyExpression() == null) {
VolVariable variable = (VolVariable) scm.getVariable();
Equation equation = null;
if (sm.getGeometryClass() == subVolume) {
if (scm.isPDERequired()) {
//
// species context belongs to this subDomain
//
Expression initial = getIdentifierSubstitutions(new Expression(initConcParameter, getNameScope()), initConcParameter.getUnitDefinition(), sm.getGeometryClass());
Expression rate = getIdentifierSubstitutions(scm.getRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), simContext.getGeometryContext().getStructureMapping(sc.getStructure()).getGeometryClass());
SpeciesContextSpecParameter diffusionParameter = scs.getDiffusionParameter();
Expression diffusion = getIdentifierSubstitutions(new Expression(diffusionParameter, getNameScope()), diffusionParameter.getUnitDefinition(), sm.getGeometryClass());
equation = new PdeEquation(variable, initial, rate, diffusion);
((PdeEquation) equation).setBoundaryXm((scs.getBoundaryXmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryXmParameter(), sm.getGeometryClass())));
((PdeEquation) equation).setBoundaryXp((scs.getBoundaryXpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryXpParameter(), sm.getGeometryClass())));
((PdeEquation) equation).setBoundaryYm((scs.getBoundaryYmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryYmParameter(), sm.getGeometryClass())));
((PdeEquation) equation).setBoundaryYp((scs.getBoundaryYpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryYpParameter(), sm.getGeometryClass())));
((PdeEquation) equation).setBoundaryZm((scs.getBoundaryZmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryZmParameter(), sm.getGeometryClass())));
((PdeEquation) equation).setBoundaryZp((scs.getBoundaryZpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryZpParameter(), sm.getGeometryClass())));
if (simContext.getGeometry().getDimension() >= 1) {
Expression velXExp = null;
if (scs.getVelocityXParameter().getExpression() != null) {
velXExp = new Expression(getMathSymbol(scs.getVelocityXParameter(), sm.getGeometryClass()));
} else {
SpatialQuantity[] velX_quantities = scs.getVelocityQuantities(QuantityComponent.X);
if (velX_quantities.length > 0) {
int numRegions = simContext.getGeometry().getGeometrySurfaceDescription().getGeometricRegions(subVolume).length;
if (velX_quantities.length == 1 && numRegions == 1) {
velXExp = new Expression(getMathSymbol(velX_quantities[0], sm.getGeometryClass()));
} else {
throw new MappingException("multiple advection velocities enabled set for multiple volume domains ");
}
}
}
((PdeEquation) equation).setVelocityX(velXExp);
}
if (simContext.getGeometry().getDimension() >= 2) {
Expression velYExp = null;
if (scs.getVelocityYParameter().getExpression() != null) {
velYExp = new Expression(getMathSymbol(scs.getVelocityYParameter(), sm.getGeometryClass()));
} else {
SpatialQuantity[] velY_quantities = scs.getVelocityQuantities(QuantityComponent.Y);
if (velY_quantities.length > 0) {
int numRegions = simContext.getGeometry().getGeometrySurfaceDescription().getGeometricRegions(subVolume).length;
if (velY_quantities.length == 1 && numRegions == 1) {
velYExp = new Expression(getMathSymbol(velY_quantities[0], sm.getGeometryClass()));
} else {
throw new MappingException("multiple advection velocities enabled set for multiple volume domains ");
}
}
}
((PdeEquation) equation).setVelocityY(velYExp);
}
if (simContext.getGeometry().getDimension() == 3) {
Expression velZExp = null;
if (scs.getVelocityZParameter().getExpression() != null) {
velZExp = new Expression(getMathSymbol(scs.getVelocityZParameter(), sm.getGeometryClass()));
} else {
SpatialQuantity[] velZ_quantities = scs.getVelocityQuantities(QuantityComponent.Z);
if (velZ_quantities.length > 0) {
int numRegions = simContext.getGeometry().getGeometrySurfaceDescription().getGeometricRegions(subVolume).length;
if (velZ_quantities.length == 1 && numRegions == 1) {
velZExp = new Expression(getMathSymbol(velZ_quantities[0], sm.getGeometryClass()));
} else {
throw new MappingException("multiple advection velocities enabled set for multiple volume domains ");
}
}
}
((PdeEquation) equation).setVelocityZ(velZExp);
}
subDomain.replaceEquation(equation);
} else {
//
// ODE - species context belongs to this subDomain
//
Expression initial = new Expression(getMathSymbol(initConcParameter, null));
Expression rate = (scm.getRate() == null) ? new Expression(0.0) : getIdentifierSubstitutions(scm.getRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), simContext.getGeometryContext().getStructureMapping(sc.getStructure()).getGeometryClass());
//
// if it's an event assignment variable AND a rate rule variable
// we replace the event rate computed above (which should be zero) with the RateRuleParameter expression
//
RateRuleRateParameter rateParam = rateRuleRateParamHash.get(variable);
if (rateParam != null) {
rate = new Expression(getMathSymbol(rateParam, null));
}
equation = new OdeEquation(variable, initial, rate);
subDomain.replaceEquation(equation);
}
}
} else if (scm.getVariable() instanceof VolVariable && scm.getDependencyExpression() != null) {
// rate rule variables are like this
RateRule rr = simContext.getRateRule(scm.getSpeciesContext());
if (rr != null && (rr.getRateRuleVar() instanceof SpeciesContext)) {
//
// we generate rate rule ODE equation only for species variable that are NOT event assignment variable (see right above)
// for global parameters variable we do it elsewhere
//
VolVariable variable = (VolVariable) scm.getVariable();
Equation equation = null;
if (sm.getGeometryClass() == subVolume) {
Expression initial = new Expression(getMathSymbol(initConcParameter, null));
Expression rateExpr = new Expression(0.0);
RateRuleRateParameter rateParam = rateRuleRateParamHash.get(variable);
if (rateParam != null) {
rateExpr = new Expression(getMathSymbol(rateParam, null));
}
equation = new OdeEquation(variable, initial, rateExpr);
subDomain.addEquation(equation);
}
}
}
}
//
// create fast system (if neccessary)
//
SpeciesContextMapping[] fastSpeciesContextMappings = structureAnalyzer.getFastSpeciesContextMappings();
if (fastSpeciesContextMappings != null) {
FastSystem fastSystem = new FastSystem(mathDesc);
for (int i = 0; i < fastSpeciesContextMappings.length; i++) {
SpeciesContextMapping scm = fastSpeciesContextMappings[i];
if (scm.getFastInvariant() == null) {
//
// independant-fast variable, create a fastRate object
//
Expression rate = getIdentifierSubstitutions(scm.getFastRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), subVolume);
FastRate fastRate = new FastRate(rate);
fastSystem.addFastRate(fastRate);
} else {
//
// dependant-fast variable, create a fastInvariant object
//
Expression rate = getIdentifierSubstitutions(scm.getFastInvariant(), modelUnitSystem.getVolumeConcentrationUnit(), subVolume);
FastInvariant fastInvariant = new FastInvariant(rate);
fastSystem.addFastInvariant(fastInvariant);
}
}
subDomain.setFastSystem(fastSystem);
// constructor calls the 'refresh' method which constructs depemdency matrix, dependent/independent vars and pseudoconstants, etc.
// FastSystemAnalyzer fs_analyzer =
new FastSystemAnalyzer(fastSystem, mathDesc);
}
//
// create ode's for voltages to be calculated on unresolved membranes mapped to this subVolume
//
Structure[] localStructures = simContext.getGeometryContext().getStructuresFromGeometryClass(subVolume);
for (int sIndex = 0; sIndex < localStructures.length; sIndex++) {
if (localStructures[sIndex] instanceof Membrane) {
Membrane membrane = (Membrane) localStructures[sIndex];
MembraneMapping membraneMapping = (MembraneMapping) simContext.getGeometryContext().getStructureMapping(membrane);
if ((membraneMapping.getGeometryClass() instanceof SubVolume) && membraneMapping.getCalculateVoltage()) {
MembraneElectricalDevice capacitiveDevice = potentialMapping.getCapacitiveDevice(membrane);
if (capacitiveDevice.getDependentVoltageExpression() == null) {
VolVariable vVar = (VolVariable) mathDesc.getVariable(getMathSymbol(capacitiveDevice.getVoltageSymbol(), membraneMapping.getGeometryClass()));
Expression initExp = new Expression(getMathSymbol(capacitiveDevice.getMembraneMapping().getInitialVoltageParameter(), membraneMapping.getGeometryClass()));
subDomain.addEquation(new OdeEquation(vVar, initExp, getIdentifierSubstitutions(potentialMapping.getOdeRHS(capacitiveDevice, this), membrane.getMembraneVoltage().getUnitDefinition().divideBy(timeUnit), membraneMapping.getGeometryClass())));
} else {
//
//
//
}
}
}
}
}
//
for (MembraneSubdomainContext memSubdomainContext : membraneSubdomainContexts) {
MembraneSubDomain memSubDomain = memSubdomainContext.membraneSubdomain;
SurfaceClass surfaceClass = memSubdomainContext.surfaceClass;
for (SurfaceRegionObject surfaceRegionObject : memSubdomainContext.surfaceRegionObjects) {
if (surfaceRegionObject.isQuantityCategoryEnabled(QuantityCategory.SurfaceVelocity)) {
int dim = simContext.getGeometry().getDimension();
if (dim != 2) {
throw new MappingException("Membrane Velocity only supported for 2D geometries");
}
if (simContext.getGeometry().getDimension() >= 1) {
SpatialQuantity velXQuantity = surfaceRegionObject.getSpatialQuantity(QuantityCategory.SurfaceVelocity, QuantityComponent.X);
Expression velXExp = new Expression(velXQuantity, simContext.getNameScope());
memSubDomain.setVelocityX(getIdentifierSubstitutions(velXExp, velXQuantity.getUnitDefinition(), surfaceClass));
}
if (simContext.getGeometry().getDimension() >= 2) {
SpatialQuantity velYQuantity = surfaceRegionObject.getSpatialQuantity(QuantityCategory.SurfaceVelocity, QuantityComponent.Y);
Expression velYExp = new Expression(velYQuantity, simContext.getNameScope());
memSubDomain.setVelocityY(getIdentifierSubstitutions(velYExp, velYQuantity.getUnitDefinition(), surfaceClass));
}
if (simContext.getGeometry().getDimension() == 3) {
SpatialQuantity velZQuantity = surfaceRegionObject.getSpatialQuantity(QuantityCategory.SurfaceVelocity, QuantityComponent.Z);
Expression velZExp = new Expression(velZQuantity, simContext.getNameScope());
// memSubDomain.setVelocityZ(getIdentifierSubstitutions(velZExp, velZQuantity.getUnitDefinition(), surfaceClass));
throw new MappingException("Membrane Velocity not supported for 2D problems");
}
}
}
//
// create equations for membrane-bound molecular species
//
MembraneStructureAnalyzer membraneStructureAnalyzer = getMembraneStructureAnalyzer(surfaceClass);
Enumeration<SpeciesContextMapping> enumSCM = getSpeciesContextMappings();
while (enumSCM.hasMoreElements()) {
SpeciesContextMapping scm = enumSCM.nextElement();
SpeciesContext sc = scm.getSpeciesContext();
SpeciesContextSpec scs = simContext.getReactionContext().getSpeciesContextSpec(sc);
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(sc.getStructure());
//
if ((scm.getVariable() instanceof MembraneRegionVariable) && scm.getDependencyExpression() == null) {
MembraneRegionEquation equation = null;
MembraneRegionVariable memRegionVar = (MembraneRegionVariable) scm.getVariable();
if (sm.getGeometryClass() == surfaceClass) {
//
// species context belongs to this subDomain
//
Expression initial = new Expression(getMathSymbol(scs.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration), sm.getGeometryClass()));
Expression rate = getIdentifierSubstitutions(scm.getRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), simContext.getGeometryContext().getStructureMapping(sc.getStructure()).getGeometryClass());
equation = new MembraneRegionEquation(memRegionVar, initial);
equation.setMembraneRateExpression(rate);
// equation.setUniformRateExpression(newUniformRateExpression);
memSubDomain.replaceEquation(equation);
}
} else if ((scm.getVariable() instanceof MemVariable) && scm.getDependencyExpression() == null) {
//
if (sm.getGeometryClass() == surfaceClass) {
Equation equation = null;
MemVariable variable = (MemVariable) scm.getVariable();
if (scm.isPDERequired()) {
//
// PDE
//
//
// species context belongs to this subDomain
//
Expression initial = new Expression(getMathSymbol(scs.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration), sm.getGeometryClass()));
Expression rate = getIdentifierSubstitutions(scm.getRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), simContext.getGeometryContext().getStructureMapping(sc.getStructure()).getGeometryClass());
Expression diffusion = new Expression(getMathSymbol(scs.getDiffusionParameter(), sm.getGeometryClass()));
equation = new PdeEquation(variable, initial, rate, diffusion);
((PdeEquation) equation).setBoundaryXm((scs.getBoundaryXmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryXmParameter(), sm.getGeometryClass())));
((PdeEquation) equation).setBoundaryXp((scs.getBoundaryXpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryXpParameter(), sm.getGeometryClass())));
((PdeEquation) equation).setBoundaryYm((scs.getBoundaryYmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryYmParameter(), sm.getGeometryClass())));
((PdeEquation) equation).setBoundaryYp((scs.getBoundaryYpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryYpParameter(), sm.getGeometryClass())));
((PdeEquation) equation).setBoundaryZm((scs.getBoundaryZmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryZmParameter(), sm.getGeometryClass())));
((PdeEquation) equation).setBoundaryZp((scs.getBoundaryZpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryZpParameter(), sm.getGeometryClass())));
memSubDomain.replaceEquation(equation);
} else {
//
// ODE
//
//
// species context belongs to this subDomain
//
Expression initial = new Expression(getMathSymbol(scs.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration), null));
Expression rate = getIdentifierSubstitutions(scm.getRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), simContext.getGeometryContext().getStructureMapping(sc.getStructure()).getGeometryClass());
equation = new OdeEquation(variable, initial, rate);
memSubDomain.replaceEquation(equation);
}
}
}
}
Enumeration<SpeciesContextMapping> enum_scm = getSpeciesContextMappings();
while (enum_scm.hasMoreElements()) {
SpeciesContextMapping scm = enum_scm.nextElement();
if (scm.isPDERequired() || scm.getVariable() instanceof VolumeRegionVariable) {
// Species species = scm.getSpeciesContext().getSpecies();
Variable var = scm.getVariable();
final Domain dm = var.getDomain();
if (dm != null) {
final String domainName = dm.getName();
if (sameName(domainName, memSubDomain.getInsideCompartment()) || sameName(domainName, memSubDomain.getOutsideCompartment())) {
JumpCondition jc = memSubDomain.getJumpCondition(var);
if (jc == null) {
// System.out.println("MathMapping.refreshMathDescription(), adding jump condition for diffusing variable "+var.getName()+" on membrane "+membraneStructureAnalyzer.getMembrane().getName());
if (var instanceof VolVariable) {
jc = new JumpCondition((VolVariable) var);
} else if (var instanceof VolumeRegionVariable) {
jc = new JumpCondition((VolumeRegionVariable) var);
} else {
throw new RuntimeException("unexpected Variable type " + var.getClass().getName());
}
memSubDomain.addJumpCondition(jc);
}
}
}
}
}
//
// set jump conditions for any volume variables or volume region variables that have explicitly defined fluxes
//
ResolvedFlux[] resolvedFluxes = membraneStructureAnalyzer.getResolvedFluxes();
if (resolvedFluxes != null) {
for (int i = 0; i < resolvedFluxes.length; i++) {
SpeciesContext sc = resolvedFluxes[i].getSpeciesContext();
SpeciesContextMapping scm = getSpeciesContextMapping(sc);
StructureMapping sm = getSimulationContext().getGeometryContext().getStructureMapping(sc.getStructure());
if (scm.getVariable() instanceof VolVariable && scm.isPDERequired()) {
VolVariable volVar = (VolVariable) scm.getVariable();
JumpCondition jc = memSubDomain.getJumpCondition(volVar);
if (jc == null) {
jc = new JumpCondition(volVar);
memSubDomain.addJumpCondition(jc);
}
Expression flux = getIdentifierSubstitutions(resolvedFluxes[i].getFluxExpression(), resolvedFluxes[i].getUnitDefinition(), membraneStructureAnalyzer.getSurfaceClass());
if (memSubDomain.getInsideCompartment().getName().equals(sm.getGeometryClass().getName())) {
jc.setInFlux(flux);
} else if (memSubDomain.getOutsideCompartment().getName().equals(sm.getGeometryClass().getName())) {
jc.setOutFlux(flux);
} else {
throw new RuntimeException("Application " + simContext.getName() + " : " + scm.getSpeciesContext().getName() + " has spatially resolved flux at membrane " + scm.getSpeciesContext().getStructure().getName() + " with a non-local flux species " + scm.getSpeciesContext().getName());
}
} else if (scm.getVariable() instanceof VolumeRegionVariable) {
VolumeRegionVariable volRegionVar = (VolumeRegionVariable) scm.getVariable();
JumpCondition jc = memSubDomain.getJumpCondition(volRegionVar);
if (jc == null) {
jc = new JumpCondition(volRegionVar);
memSubDomain.addJumpCondition(jc);
}
Expression flux = getIdentifierSubstitutions(resolvedFluxes[i].getFluxExpression(), resolvedFluxes[i].getUnitDefinition(), membraneStructureAnalyzer.getSurfaceClass());
if (memSubDomain.getInsideCompartment().getName().equals(sm.getGeometryClass().getName())) {
jc.setInFlux(flux);
} else if (memSubDomain.getOutsideCompartment().getName().equals(sm.getGeometryClass().getName())) {
jc.setOutFlux(flux);
} else {
throw new RuntimeException("Application " + simContext.getName() + " : " + scm.getSpeciesContext().getName() + " has spatially resolved flux at membrane " + scm.getSpeciesContext().getStructure().getName() + " with a non-local flux species " + scm.getSpeciesContext().getName());
}
} else {
throw new MappingException("Application " + simContext.getName() + " : " + scm.getSpeciesContext().getName() + " has spatially resolved flux at membrane " + scm.getSpeciesContext().getStructure().getName() + ", but doesn't diffuse in compartment " + scm.getSpeciesContext().getStructure().getName());
}
}
}
//
// create fast system (if neccessary)
//
SpeciesContextMapping[] fastSpeciesContextMappings = membraneStructureAnalyzer.getFastSpeciesContextMappings();
if (fastSpeciesContextMappings != null) {
FastSystem fastSystem = new FastSystem(mathDesc);
for (int i = 0; i < fastSpeciesContextMappings.length; i++) {
SpeciesContextMapping scm = fastSpeciesContextMappings[i];
if (scm.getFastInvariant() == null) {
//
// independant-fast variable, create a fastRate object
//
VCUnitDefinition rateUnit = scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit);
FastRate fastRate = new FastRate(getIdentifierSubstitutions(scm.getFastRate(), rateUnit, surfaceClass));
fastSystem.addFastRate(fastRate);
} else {
//
// dependant-fast variable, create a fastInvariant object
//
VCUnitDefinition invariantUnit = scm.getSpeciesContext().getUnitDefinition();
FastInvariant fastInvariant = new FastInvariant(getIdentifierSubstitutions(scm.getFastInvariant(), invariantUnit, surfaceClass));
fastSystem.addFastInvariant(fastInvariant);
}
}
memSubDomain.setFastSystem(fastSystem);
// constructor calls the 'refresh' method which constructs depemdency matrix, dependent/independent vars and pseudoconstants, etc.
// FastSystemAnalyzer fs_analyzer =
new FastSystemAnalyzer(fastSystem, mathDesc);
}
//
// create Membrane-region equations for potential of this resolved membrane
//
Structure[] resolvedSurfaceStructures = membraneStructureAnalyzer.getStructures();
for (int m = 0; m < resolvedSurfaceStructures.length; m++) {
if (resolvedSurfaceStructures[m] instanceof Membrane) {
Membrane membrane = (Membrane) resolvedSurfaceStructures[m];
MembraneMapping membraneMapping = (MembraneMapping) simContext.getGeometryContext().getStructureMapping(membrane);
if (membraneMapping.getCalculateVoltage()) {
ElectricalDevice[] membraneDevices = potentialMapping.getElectricalDevices(membrane);
int numCapacitiveDevices = 0;
MembraneElectricalDevice capacitiveDevice = null;
for (int i = 0; i < membraneDevices.length; i++) {
if (membraneDevices[i] instanceof MembraneElectricalDevice) {
numCapacitiveDevices++;
capacitiveDevice = (MembraneElectricalDevice) membraneDevices[i];
}
}
if (numCapacitiveDevices != 1) {
throw new MappingException("expecting 1 capacitive electrical device on graph edge for membrane " + membrane.getName() + ", found '" + numCapacitiveDevices + "'");
}
if (mathDesc.getVariable(getMathSymbol(capacitiveDevice.getVoltageSymbol(), membraneMapping.getGeometryClass())) instanceof MembraneRegionVariable) {
MembraneRegionVariable vVar = (MembraneRegionVariable) mathDesc.getVariable(getMathSymbol(capacitiveDevice.getVoltageSymbol(), membraneMapping.getGeometryClass()));
Parameter initialVoltageParm = capacitiveDevice.getMembraneMapping().getInitialVoltageParameter();
Expression initExp = getIdentifierSubstitutions(initialVoltageParm.getExpression(), initialVoltageParm.getUnitDefinition(), capacitiveDevice.getMembraneMapping().getGeometryClass());
MembraneRegionEquation vEquation = new MembraneRegionEquation(vVar, initExp);
vEquation.setMembraneRateExpression(getIdentifierSubstitutions(potentialMapping.getOdeRHS(capacitiveDevice, this), membrane.getMembraneVoltage().getUnitDefinition().divideBy(timeUnit), capacitiveDevice.getMembraneMapping().getGeometryClass()));
memSubDomain.addEquation(vEquation);
}
}
}
}
}
// create equations for event assignment or rate rule targets that are model params/species, etc.
Set<VolVariable> hashKeySet = eventVolVarHash.keySet();
Iterator<VolVariable> volVarsIter = hashKeySet.iterator();
// working under the assumption that we are dealing with non-spatial math, hence only one compartment domain!
SubDomain subDomain = mathDesc.getSubDomains().nextElement();
while (volVarsIter.hasNext()) {
VolVariable volVar = volVarsIter.next();
EventAssignmentOrRateRuleInitParameter initParam = eventVolVarHash.get(volVar);
// check event initial condition, it shouldn't contain vars, we have to do it here, coz we want to substitute functions...etc.
Expression eapExp = MathUtilities.substituteFunctions(initParam.getExpression(), mathDesc);
if (eapExp.getSymbols() != null) {
for (String symbol : eapExp.getSymbols()) {
SymbolTableEntry ste = eapExp.getSymbolBinding(symbol);
if (ste instanceof VolVariable || ste instanceof MemVariable) {
throw new MathException("Variables are not allowed in Event assignment initial condition.\nEvent assignment target: " + volVar.getName() + " has variable (" + symbol + ") in its expression.");
}
}
}
Expression rateExpr = new Expression(0.0);
RateRuleRateParameter rateParam = rateRuleRateParamHash.get(volVar);
if (rateParam != null) {
// this is a rate rule, get its expression.
rateExpr = new Expression(getMathSymbol(rateParam, null));
}
Equation equation = new OdeEquation(volVar, new Expression(getMathSymbol(initParam, null)), rateExpr);
subDomain.addEquation(equation);
}
// events - add events to math desc for event assignments that have parameters as target variables
if (bioevents != null && bioevents.length > 0) {
for (BioEvent be : bioevents) {
// transform the bioEvent trigger/delay to math Event
LocalParameter genTriggerParam = be.getParameter(BioEventParameterType.GeneralTriggerFunction);
Expression mathTriggerExpr = getIdentifierSubstitutions(new Expression(genTriggerParam, be.getNameScope()), modelUnitSystem.getInstance_DIMENSIONLESS(), null);
Delay mathDelay = null;
LocalParameter delayParam = be.getParameter(BioEventParameterType.TriggerDelay);
if (delayParam != null && delayParam.getExpression() != null && !delayParam.getExpression().compareEqual(new Expression(0.0))) {
boolean bUseValsFromTriggerTime = be.getUseValuesFromTriggerTime();
Expression mathDelayExpr = getIdentifierSubstitutions(new Expression(delayParam, be.getNameScope()), timeUnit, null);
mathDelay = new Delay(bUseValsFromTriggerTime, mathDelayExpr);
}
// now deal with (bio)event Assignment translation to math EventAssignment
ArrayList<EventAssignment> eventAssignments = be.getEventAssignments();
ArrayList<Event.EventAssignment> mathEventAssignmentsList = new ArrayList<Event.EventAssignment>();
if (eventAssignments != null) {
for (EventAssignment ea : eventAssignments) {
SymbolTableEntry ste = simContext.getEntry(ea.getTarget().getName());
if (ste instanceof StructureSize) {
throw new RuntimeException("Event Assignment Variable for compartment size is not supported yet");
}
VCUnitDefinition eventAssignVarUnit = ste.getUnitDefinition();
Variable variable = varHash.getVariable(ste.getName());
Event.EventAssignment mathEA = new Event.EventAssignment(variable, getIdentifierSubstitutions(ea.getAssignmentExpression(), eventAssignVarUnit, null));
mathEventAssignmentsList.add(mathEA);
}
}
// use the translated trigger, delay and event assignments to create (math) event
Event mathEvent = new Event(be.getName(), mathTriggerExpr, mathDelay, mathEventAssignmentsList);
mathDesc.addEvent(mathEvent);
}
}
if (simContext.getMicroscopeMeasurement() != null && simContext.getMicroscopeMeasurement().getFluorescentSpecies().size() > 0) {
MicroscopeMeasurement measurement = simContext.getMicroscopeMeasurement();
Expression volumeConcExp = new Expression(0.0);
Expression membraneDensityExp = new Expression(0.0);
for (SpeciesContext speciesContext : measurement.getFluorescentSpecies()) {
GeometryClass geometryClass = simContext.getGeometryContext().getStructureMapping(speciesContext.getStructure()).getGeometryClass();
StructureMapping structureMapping = simContext.getGeometryContext().getStructureMapping(speciesContext.getStructure());
StructureMappingParameter unitSizeParameter = structureMapping.getUnitSizeParameter();
Expression mappedSpeciesContextExpression = Expression.mult(unitSizeParameter.getExpression(), new Expression(getMathSymbol(speciesContext, geometryClass)));
VCUnitDefinition mappedSpeciesContextUnit = unitSizeParameter.getUnitDefinition().multiplyBy(speciesContext.getUnitDefinition());
if (geometryClass instanceof SubVolume) {
// volume function
int dimension = 3;
VCUnitDefinition desiredConcUnits = model.getUnitSystem().getInstance("molecules").divideBy(model.getUnitSystem().getLengthUnit().raiseTo(new ucar.units_vcell.RationalNumber(dimension)));
Expression unitFactor = getUnitFactor(desiredConcUnits.divideBy(mappedSpeciesContextUnit));
volumeConcExp = Expression.add(volumeConcExp, Expression.mult(unitFactor, mappedSpeciesContextExpression)).flatten();
} else if (geometryClass instanceof SurfaceClass) {
// membrane function
int dimension = 2;
VCUnitDefinition desiredSurfaceDensityUnits = model.getUnitSystem().getInstance("molecules").divideBy(model.getUnitSystem().getLengthUnit().raiseTo(new ucar.units_vcell.RationalNumber(dimension)));
Expression unitFactor = getUnitFactor(desiredSurfaceDensityUnits.divideBy(mappedSpeciesContextUnit));
membraneDensityExp = Expression.add(membraneDensityExp, Expression.mult(unitFactor, mappedSpeciesContextExpression)).flatten();
} else {
throw new MathException("unsupported geometry mapping for microscopy measurement");
}
}
ConvolutionKernel kernel = measurement.getConvolutionKernel();
if (kernel instanceof ExperimentalPSF) {
if (!membraneDensityExp.isZero()) {
throw new MappingException("membrane variables and functions not yet supported for Z projection in Microcopy Measurements");
}
ExperimentalPSF psf = (ExperimentalPSF) kernel;
DataSymbol psfDataSymbol = psf.getPSFDataSymbol();
if (psfDataSymbol instanceof FieldDataSymbol) {
FieldDataSymbol fieldDataSymbol = (FieldDataSymbol) psfDataSymbol;
String fieldDataName = ((FieldDataSymbol) psfDataSymbol).getExternalDataIdentifier().getName();
Expression psfExp = Expression.function(FieldFunctionDefinition.FUNCTION_name, new Expression("'" + fieldDataName + "'"), new Expression("'" + fieldDataSymbol.getFieldDataVarName() + "'"), new Expression(fieldDataSymbol.getFieldDataVarTime()), new Expression("'" + fieldDataSymbol.getFieldDataVarType() + "'"));
varHash.addVariable(new Function("__PSF__", psfExp, null));
}
Expression convExp = Expression.function(ConvFunctionDefinition.FUNCTION_name, volumeConcExp, new Expression("__PSF__"));
varHash.addVariable(newFunctionOrConstant(measurement.getName(), convExp, null));
} else if (kernel instanceof GaussianConvolutionKernel) {
GaussianConvolutionKernel gaussianConvolutionKernel = (GaussianConvolutionKernel) kernel;
GaussianConvolutionDataGeneratorKernel mathKernel = new GaussianConvolutionDataGeneratorKernel(gaussianConvolutionKernel.getSigmaXY_um(), gaussianConvolutionKernel.getSigmaZ_um());
ConvolutionDataGenerator dataGenerator = new ConvolutionDataGenerator(measurement.getName(), mathKernel, volumeConcExp, membraneDensityExp);
mathDesc.getPostProcessingBlock().addDataGenerator(dataGenerator);
} else if (kernel instanceof ProjectionZKernel) {
if (mathDesc.getGeometry().getDimension() == 3) {
if (!membraneDensityExp.isZero()) {
throw new MappingException("membrane variables and functions not yet supported for Z projection in Microcopy Measurements");
}
ProjectionDataGenerator dataGenerator = new ProjectionDataGenerator(measurement.getName(), null, ProjectionDataGenerator.Axis.z, ProjectionDataGenerator.Operation.sum, volumeConcExp);
mathDesc.getPostProcessingBlock().addDataGenerator(dataGenerator);
} else {
throw new MappingException("Z Projection is only supported in 3D spatial applications.");
}
}
}
//
for (int i = 0; i < fieldMathMappingParameters.length; i++) {
if (fieldMathMappingParameters[i] instanceof UnitFactorParameter) {
GeometryClass geometryClass = fieldMathMappingParameters[i].getGeometryClass();
Variable variable = newFunctionOrConstant(getMathSymbol(fieldMathMappingParameters[i], geometryClass), getIdentifierSubstitutions(fieldMathMappingParameters[i].getExpression(), fieldMathMappingParameters[i].getUnitDefinition(), geometryClass), fieldMathMappingParameters[i].getGeometryClass());
if (mathDesc.getVariable(variable.getName()) == null) {
mathDesc.addVariable(variable);
}
}
}
if (!mathDesc.isValid()) {
System.out.println(mathDesc.getVCML_database());
throw new MappingException("generated an invalid mathDescription: " + mathDesc.getWarning());
}
// System.out.println("]]]]]]]]]]]]]]]]]]]]]] VCML string begin ]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]");
// System.out.println(mathDesc.getVCML());
// System.out.println("]]]]]]]]]]]]]]]]]]]]]] VCML string end ]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]");
}
Also used :
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
ArrayList(java.util.ArrayList)
StructureMappingParameter(cbit.vcell.mapping.StructureMapping.StructureMappingParameter)
SpeciesContext(cbit.vcell.model.SpeciesContext)
Feature(cbit.vcell.model.Feature)
MemVariable(cbit.vcell.math.MemVariable)
SubVolume(cbit.vcell.geometry.SubVolume)
Vector(java.util.Vector)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
FastInvariant(cbit.vcell.math.FastInvariant)
GaussianConvolutionKernel(cbit.vcell.mapping.MicroscopeMeasurement.GaussianConvolutionKernel)
PropertyVetoException(java.beans.PropertyVetoException)
FieldDataSymbol(cbit.vcell.data.FieldDataSymbol)
DataSymbol(cbit.vcell.data.DataSymbol)
VCUnitDefinition(cbit.vcell.units.VCUnitDefinition)
FastSystem(cbit.vcell.math.FastSystem)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
ReactionStep(cbit.vcell.model.ReactionStep)
Map(java.util.Map)
HashMap(java.util.HashMap)
MembraneRegionEquation(cbit.vcell.math.MembraneRegionEquation)
SurfaceClass(cbit.vcell.geometry.SurfaceClass)
VariableHash(cbit.vcell.math.VariableHash)
ExperimentalPSF(cbit.vcell.mapping.MicroscopeMeasurement.ExperimentalPSF)
ConvolutionDataGenerator(cbit.vcell.math.ConvolutionDataGenerator)
GaussianConvolutionDataGeneratorKernel(cbit.vcell.math.ConvolutionDataGenerator.GaussianConvolutionDataGeneratorKernel)
Structure(cbit.vcell.model.Structure)
ModelUnitSystem(cbit.vcell.model.ModelUnitSystem)
LocalParameter(cbit.vcell.mapping.ParameterContext.LocalParameter)
VoltageClampElectricalDevice(cbit.vcell.mapping.potential.VoltageClampElectricalDevice)
StructureMappingParameter(cbit.vcell.mapping.StructureMapping.StructureMappingParameter)
Expression(cbit.vcell.parser.Expression)
Model(cbit.vcell.model.Model)
StructureMappingParameter(cbit.vcell.mapping.StructureMapping.StructureMappingParameter)
Parameter(cbit.vcell.model.Parameter)
SpeciesContextSpecProxyParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecProxyParameter)
SimulationContextParameter(cbit.vcell.mapping.SimulationContext.SimulationContextParameter)
ModelParameter(cbit.vcell.model.Model.ModelParameter)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
LocalParameter(cbit.vcell.mapping.ParameterContext.LocalParameter)
Event(cbit.vcell.math.Event)
ProjectionDataGenerator(cbit.vcell.math.ProjectionDataGenerator)
SurfaceRegionObject(cbit.vcell.mapping.spatial.SurfaceRegionObject)
FieldDataSymbol(cbit.vcell.data.FieldDataSymbol)
MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable)
HashMap(java.util.HashMap)
MathDescription(cbit.vcell.math.MathDescription)
MembraneElectricalDevice(cbit.vcell.mapping.potential.MembraneElectricalDevice)
Delay(cbit.vcell.math.Event.Delay)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
SubDomain(cbit.vcell.math.SubDomain)
PointSubDomain(cbit.vcell.math.PointSubDomain)
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
PropertyVetoException(java.beans.PropertyVetoException)
PdeEquation(cbit.vcell.math.PdeEquation)
CurrentClampElectricalDevice(cbit.vcell.mapping.potential.CurrentClampElectricalDevice)
SpatialQuantity(cbit.vcell.mapping.spatial.SpatialObject.SpatialQuantity)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
EventAssignment(cbit.vcell.mapping.BioEvent.EventAssignment)
CurrentClampElectricalDevice(cbit.vcell.mapping.potential.CurrentClampElectricalDevice)
MembraneElectricalDevice(cbit.vcell.mapping.potential.MembraneElectricalDevice)
ElectricalDevice(cbit.vcell.mapping.potential.ElectricalDevice)
VoltageClampElectricalDevice(cbit.vcell.mapping.potential.VoltageClampElectricalDevice)
VolVariable(cbit.vcell.math.VolVariable)
StructureSize(cbit.vcell.model.Structure.StructureSize)
ProjectionZKernel(cbit.vcell.mapping.MicroscopeMeasurement.ProjectionZKernel)
ModelParameter(cbit.vcell.model.Model.ModelParameter)
OdeEquation(cbit.vcell.math.OdeEquation)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
SubDomain(cbit.vcell.math.SubDomain)
PointSubDomain(cbit.vcell.math.PointSubDomain)
Domain(cbit.vcell.math.Variable.Domain)
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
JumpCondition(cbit.vcell.math.JumpCondition)
GeometryClass(cbit.vcell.geometry.GeometryClass)
VolVariable(cbit.vcell.math.VolVariable)
MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable)
PointVariable(cbit.vcell.math.PointVariable)
VolumeRegionVariable(cbit.vcell.math.VolumeRegionVariable)
MemVariable(cbit.vcell.math.MemVariable)
Variable(cbit.vcell.math.Variable)
SpeciesContextSpecProxyParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecProxyParameter)
Constant(cbit.vcell.math.Constant)
VolumeRegionVariable(cbit.vcell.math.VolumeRegionVariable)
Function(cbit.vcell.math.Function)
SymbolTableEntry(cbit.vcell.parser.SymbolTableEntry)
Membrane(cbit.vcell.model.Membrane)
VolumeRegionEquation(cbit.vcell.math.VolumeRegionEquation)
PotentialMapping(cbit.vcell.mapping.potential.PotentialMapping)
EventAssignment(cbit.vcell.mapping.BioEvent.EventAssignment)
FieldFunctionArguments(cbit.vcell.field.FieldFunctionArguments)
PdeEquation(cbit.vcell.math.PdeEquation)
ComputeMembraneMetricEquation(cbit.vcell.math.ComputeMembraneMetricEquation)
VolumeRegionEquation(cbit.vcell.math.VolumeRegionEquation)
OdeEquation(cbit.vcell.math.OdeEquation)
MembraneRegionEquation(cbit.vcell.math.MembraneRegionEquation)
Equation(cbit.vcell.math.Equation)
FastRate(cbit.vcell.math.FastRate)
SimulationContextParameter(cbit.vcell.mapping.SimulationContext.SimulationContextParameter)
ConvolutionKernel(cbit.vcell.mapping.MicroscopeMeasurement.ConvolutionKernel)
GaussianConvolutionKernel(cbit.vcell.mapping.MicroscopeMeasurement.GaussianConvolutionKernel)
MathException(cbit.vcell.math.MathException)
Example 2 with MembraneElectricalDevice
use of cbit.vcell.mapping.potential.MembraneElectricalDevice in project vcell by virtualcell.
the class AbstractMathMapping method getMathSymbol0.
/**
* Substitutes appropriate variables for speciesContext bindings
*
* @return cbit.vcell.parser.Expression
* @param origExp cbit.vcell.parser.Expression
* @param structureMapping cbit.vcell.mapping.StructureMapping
*/
protected final String getMathSymbol0(SymbolTableEntry ste, GeometryClass geometryClass) throws MappingException {
String steName = ste.getName();
if (ste instanceof Kinetics.KineticsParameter) {
Integer count = localNameCountHash.get(steName);
if (count == null) {
throw new MappingException("KineticsParameter " + steName + " not found in local name count");
}
// for now keep old style
if (count > 1 || steName.equals("J")) {
return steName + "_" + ste.getNameScope().getName();
// return getNameScope().getSymbolName(ste);
} else {
return steName;
}
// will revert to this in the future
// return steName+"_"+ste.getNameScope().getName();
}
if (ste instanceof LocalParameter && ((LocalParameter) ste).getNameScope() instanceof ReactionRule.ReactionRuleNameScope) {
Integer count = localNameCountHash.get(steName);
if (count == null) {
throw new MappingException("Reaction Rule Parameter " + steName + " not found in local name count");
}
// for now keep old style
if (count > 1 || steName.equals("J")) {
return steName + "_" + ste.getNameScope().getName();
// return getNameScope().getSymbolName(ste);
} else {
return steName;
}
// will revert to this in the future
// return steName+"_"+ste.getNameScope().getName();
}
if (ste instanceof ProbabilityParameter) {
// be careful here, to see if we need mangle the reaction name
ProbabilityParameter probParm = (ProbabilityParameter) ste;
return probParm.getName() + PARAMETER_PROBABLIITY_RATE_SUFFIX;
}
if (ste instanceof SpeciesConcentrationParameter) {
SpeciesConcentrationParameter concParm = (SpeciesConcentrationParameter) ste;
return concParm.getSpeciesContext().getName() + MATH_FUNC_SUFFIX_SPECIES_CONCENTRATION;
}
if (ste instanceof SpeciesCountParameter) {
SpeciesCountParameter countParm = (SpeciesCountParameter) ste;
return countParm.getSpeciesContext().getName() + MATH_VAR_SUFFIX_SPECIES_COUNT;
}
if (ste instanceof ObservableConcentrationParameter) {
ObservableConcentrationParameter concParm = (ObservableConcentrationParameter) ste;
return concParm.getObservable().getName() + MATH_FUNC_SUFFIX_SPECIES_CONCENTRATION;
}
if (ste instanceof ObservableCountParameter) {
ObservableCountParameter countParm = (ObservableCountParameter) ste;
return countParm.getObservable().getName() + MATH_VAR_SUFFIX_SPECIES_COUNT;
}
if (ste instanceof RbmObservable) {
RbmObservable observable = (RbmObservable) ste;
return observable.getName() + MATH_FUNC_SUFFIX_SPECIES_CONCENTRATION;
}
if (ste instanceof EventAssignmentOrRateRuleInitParameter) {
EventAssignmentOrRateRuleInitParameter eventInitParm = (EventAssignmentOrRateRuleInitParameter) ste;
// + MATH_FUNC_SUFFIX_EVENTASSIGN_OR_RATE_INIT;
return eventInitParm.getName();
}
if (ste instanceof RateRuleRateParameter) {
RateRuleRateParameter rateRuleRateParm = (RateRuleRateParameter) ste;
// + MATH_FUNC_SUFFIX_RATERULE_RATE;
return rateRuleRateParm.getName();
}
if (ste instanceof Model.ReservedSymbol) {
return steName;
}
if (ste instanceof Membrane.MembraneVoltage) {
return steName;
}
if (ste instanceof Structure.StructureSize) {
Structure structure = ((Structure.StructureSize) ste).getStructure();
StructureMapping.StructureMappingParameter sizeParameter = simContext.getGeometryContext().getStructureMapping(structure).getSizeParameter();
return getMathSymbol(sizeParameter, geometryClass);
}
if (ste instanceof ProxyParameter) {
ProxyParameter pp = (ProxyParameter) ste;
return getMathSymbol0(pp.getTarget(), geometryClass);
}
//
if (ste instanceof ModelParameter) {
ModelParameter mp = (ModelParameter) ste;
return mp.getName();
}
if (ste instanceof SpeciesContextSpec.SpeciesContextSpecParameter) {
SpeciesContextSpec.SpeciesContextSpecParameter scsParm = (SpeciesContextSpec.SpeciesContextSpecParameter) ste;
SpeciesContext speciesContext = ((SpeciesContextSpec) (scsParm.getNameScope().getScopedSymbolTable())).getSpeciesContext();
SpeciesContextMapping scm = getSpeciesContextMapping(speciesContext);
String speciesContextVarName = null;
if (scm.getVariable() != null) {
speciesContextVarName = scm.getVariable().getName();
} else {
speciesContextVarName = speciesContext.getName();
}
if (scsParm.getRole() == SpeciesContextSpec.ROLE_InitialConcentration) {
return speciesContextVarName + MATH_FUNC_SUFFIX_SPECIES_INIT_CONC_UNIT_PREFIX + TokenMangler.fixTokenStrict(scsParm.getUnitDefinition().getSymbol());
}
if (scsParm.getRole() == SpeciesContextSpec.ROLE_InitialCount) {
return speciesContextVarName + MATH_FUNC_SUFFIX_SPECIES_INIT_COUNT;
}
if (scsParm.getRole() == SpeciesContextSpec.ROLE_DiffusionRate) {
return speciesContextVarName + PARAMETER_DIFFUSION_RATE_SUFFIX;
}
if (scsParm.getRole() == SpeciesContextSpec.ROLE_BoundaryValueXm) {
return speciesContextVarName + PARAMETER_BOUNDARY_XM_SUFFIX;
}
if (scsParm.getRole() == SpeciesContextSpec.ROLE_BoundaryValueXp) {
return speciesContextVarName + PARAMETER_BOUNDARY_XP_SUFFIX;
}
if (scsParm.getRole() == SpeciesContextSpec.ROLE_BoundaryValueYm) {
return speciesContextVarName + PARAMETER_BOUNDARY_YM_SUFFIX;
}
if (scsParm.getRole() == SpeciesContextSpec.ROLE_BoundaryValueYp) {
return speciesContextVarName + PARAMETER_BOUNDARY_YP_SUFFIX;
}
if (scsParm.getRole() == SpeciesContextSpec.ROLE_BoundaryValueZm) {
return speciesContextVarName + PARAMETER_BOUNDARY_ZM_SUFFIX;
}
if (scsParm.getRole() == SpeciesContextSpec.ROLE_BoundaryValueZp) {
return speciesContextVarName + PARAMETER_BOUNDARY_ZP_SUFFIX;
}
if (scsParm.getRole() == SpeciesContextSpec.ROLE_VelocityX) {
return speciesContextVarName + PARAMETER_VELOCITY_X_SUFFIX;
}
if (scsParm.getRole() == SpeciesContextSpec.ROLE_VelocityY) {
return speciesContextVarName + PARAMETER_VELOCITY_Y_SUFFIX;
}
if (scsParm.getRole() == SpeciesContextSpec.ROLE_VelocityZ) {
return speciesContextVarName + PARAMETER_VELOCITY_Z_SUFFIX;
}
}
if (ste instanceof ElectricalDevice.ElectricalDeviceParameter) {
ElectricalDevice.ElectricalDeviceParameter edParm = (ElectricalDevice.ElectricalDeviceParameter) ste;
ElectricalDevice electricalDevice = (ElectricalDevice) edParm.getNameScope().getScopedSymbolTable();
if (electricalDevice instanceof MembraneElectricalDevice) {
String nameWithScope = ((MembraneElectricalDevice) electricalDevice).getMembraneMapping().getMembrane().getNameScope().getName();
if (edParm.getRole() == ElectricalDevice.ROLE_TotalCurrent) {
return PARAMETER_TOTAL_CURRENT_PREFIX + nameWithScope;
}
if (edParm.getRole() == ElectricalDevice.ROLE_TransmembraneCurrent) {
return PARAMETER_TRANSMEMBRANE_CURRENT_PREFIX + nameWithScope;
}
// }else if (electricalDevice instanceof CurrentClampElectricalDevice) {
// if (edParm.getRole()==ElectricalDevice.ROLE_TotalCurrentDensity){
// return "I_"+((CurrentClampElectricalDevice)electricalDevice).getCurrentClampStimulus().getNameScope().getName();
// }
// if (edParm.getRole()==ElectricalDevice.ROLE_TransmembraneCurrentDensity){
// return "F_"+((CurrentClampElectricalDevice)electricalDevice).getCurrentClampStimulus().getNameScope().getName();
// }
// }else if (electricalDevice instanceof VoltageClampElectricalDevice) {
// if (edParm.getRole()==ElectricalDevice.ROLE_TotalCurrentDensity){
// return "I_"+((VoltageClampElectricalDevice)electricalDevice).getVoltageClampStimulus().getNameScope().getName();
// }
// if (edParm.getRole()==ElectricalDevice.ROLE_TransmembraneCurrentDensity){
// return "F_"+((VoltageClampElectricalDevice)electricalDevice).getVoltageClampStimulus().getNameScope().getName();
// }
}
}
if (ste instanceof LocalParameter && ((LocalParameter) ste).getNameScope() instanceof ElectricalStimulus.ElectricalStimulusNameScope) {
LocalParameter esParm = (LocalParameter) ste;
String nameWithScope = esParm.getNameScope().getName();
if (esParm.getRole() == ElectricalStimulus.ElectricalStimulusParameterType.TotalCurrent) {
return PARAMETER_TOTAL_CURRENT_PREFIX + nameWithScope;
} else if (esParm.getRole() == ElectricalStimulus.ElectricalStimulusParameterType.Voltage) {
return PARAMETER_VOLTAGE_PREFIX + nameWithScope;
}
}
if (ste instanceof StructureMapping.StructureMappingParameter) {
StructureMapping.StructureMappingParameter smParm = (StructureMapping.StructureMappingParameter) ste;
Structure structure = ((StructureMapping) (smParm.getNameScope().getScopedSymbolTable())).getStructure();
String nameWithScope = structure.getNameScope().getName();
int role = smParm.getRole();
if (role == StructureMapping.ROLE_InitialVoltage) {
return smParm.getName();
} else if (role == StructureMapping.ROLE_SpecificCapacitance) {
return PARAMETER_SPECIFIC_CAPACITANCE_PREFIX + nameWithScope;
} else if (role == StructureMapping.ROLE_Size) {
if (simContext.getGeometry().getDimension() == 0) {
// if geometry is compartmental, make sure compartment sizes are set if referenced in model.
if (smParm.getExpression() == null || smParm.getExpression().isZero()) {
throw new MappingException("\nIn non-spatial application '" + getSimulationContext().getName() + "', " + "size of structure '" + structure.getName() + "' must be assigned a " + "positive value if referenced in the model.\n\nPlease go to 'Structure Mapping' tab to check the size.");
}
}
return PARAMETER_SIZE_FUNCTION_PREFIX + nameWithScope;
} else if (role == StructureMapping.ROLE_AreaPerUnitArea) {
return "AreaPerUnitArea_" + nameWithScope;
} else if (role == StructureMapping.ROLE_AreaPerUnitVolume) {
return "AreaPerUnitVolume_" + nameWithScope;
} else if (role == StructureMapping.ROLE_VolumePerUnitArea) {
return "VolumePerUnitArea_" + nameWithScope;
} else if (role == StructureMapping.ROLE_VolumePerUnitVolume) {
return "VolumePerUnitVolume_" + nameWithScope;
}
}
//
if (ste instanceof SpeciesContext) {
SpeciesContext sc = (SpeciesContext) ste;
SpeciesContextMapping scm = getSpeciesContextMapping(sc);
if (scm == null) {
throw new RuntimeException("Species '" + sc.getName() + "' is referenced in model but may have been deleted. " + "Find its references in '" + GuiConstants.DOCUMENT_EDITOR_FOLDERNAME_BIOMODEL_PARAMETERS + "'.");
}
//
if (geometryClass instanceof SubVolume) {
//
if (scm.getVariable() != null && !scm.getVariable().getName().equals(steName)) {
return scm.getVariable().getName();
}
//
// for reactions within a surface, may need "_INSIDE" or "_OUTSIDE" for jump condition
//
} else if (geometryClass instanceof SurfaceClass) {
//
// if the speciesContext is also within the surface, replace SpeciesContext name with Variable name
//
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(sc.getStructure());
if (sm.getGeometryClass() == geometryClass) {
if (scm.getVariable() != null && !(scm.getVariable().getName().equals(ste.getName()))) {
return scm.getVariable().getName();
}
//
// if the speciesContext is "inside" or "outside" the membrane
//
} else if (sm.getGeometryClass() instanceof SubVolume && ((SurfaceClass) geometryClass).isAdjacentTo((SubVolume) sm.getGeometryClass())) {
SpeciesContextSpec scs = simContext.getReactionContext().getSpeciesContextSpec(sc);
if (!scs.isConstant()) {
if (!scs.isDiffusing() && !scs.isWellMixed()) {
throw new MappingException("Enable diffusion in Application '" + simContext.getName() + "'. This must be done for any species (e.g '" + sc.getName() + "') in flux reactions.\n\n" + "To save or run simulations, set the diffusion rate to a non-zero " + "value in Initial Conditions or disable those reactions in Specifications->Reactions.");
}
}
if (scm.getVariable() != null) {
return scm.getVariable().getName();
}
} else {
throw new MappingException("species '" + sc.getName() + "' interacts with surface '" + geometryClass.getName() + "', but is not mapped spatially adjacent");
}
}
}
return getNameScope().getSymbolName(ste);
}
Also used :
SurfaceClass(cbit.vcell.geometry.SurfaceClass)
MembraneElectricalDevice(cbit.vcell.mapping.potential.MembraneElectricalDevice)
SpeciesContext(cbit.vcell.model.SpeciesContext)
KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter)
SubVolume(cbit.vcell.geometry.SubVolume)
CompartmentSubVolume(cbit.vcell.geometry.CompartmentSubVolume)
Structure(cbit.vcell.model.Structure)
ElectricalDevice(cbit.vcell.mapping.potential.ElectricalDevice)
MembraneElectricalDevice(cbit.vcell.mapping.potential.MembraneElectricalDevice)
ReactionRule(cbit.vcell.model.ReactionRule)
RbmObservable(cbit.vcell.model.RbmObservable)
StructureSize(cbit.vcell.model.Structure.StructureSize)
LocalParameter(cbit.vcell.mapping.ParameterContext.LocalParameter)
ModelParameter(cbit.vcell.model.Model.ModelParameter)
ProxyParameter(cbit.vcell.model.ProxyParameter)
MembraneVoltage(cbit.vcell.model.Membrane.MembraneVoltage)
Aggregations
SubVolume (cbit.vcell.geometry.SubVolume)2
SurfaceClass (cbit.vcell.geometry.SurfaceClass)2
LocalParameter (cbit.vcell.mapping.ParameterContext.LocalParameter)2
ElectricalDevice (cbit.vcell.mapping.potential.ElectricalDevice)2
MembraneElectricalDevice (cbit.vcell.mapping.potential.MembraneElectricalDevice)2
DataSymbol (cbit.vcell.data.DataSymbol)1
FieldDataSymbol (cbit.vcell.data.FieldDataSymbol)1
FieldFunctionArguments (cbit.vcell.field.FieldFunctionArguments)1
CompartmentSubVolume (cbit.vcell.geometry.CompartmentSubVolume)1
GeometryClass (cbit.vcell.geometry.GeometryClass)1
EventAssignment (cbit.vcell.mapping.BioEvent.EventAssignment)1
ConvolutionKernel (cbit.vcell.mapping.MicroscopeMeasurement.ConvolutionKernel)1
ExperimentalPSF (cbit.vcell.mapping.MicroscopeMeasurement.ExperimentalPSF)1
GaussianConvolutionKernel (cbit.vcell.mapping.MicroscopeMeasurement.GaussianConvolutionKernel)1
ProjectionZKernel (cbit.vcell.mapping.MicroscopeMeasurement.ProjectionZKernel)1
SimulationContextParameter (cbit.vcell.mapping.SimulationContext.SimulationContextParameter)1
SpeciesContextSpecParameter (cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)1
SpeciesContextSpecProxyParameter (cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecProxyParameter)1
StructureMappingParameter (cbit.vcell.mapping.StructureMapping.StructureMappingParameter)1
CurrentClampElectricalDevice (cbit.vcell.mapping.potential.CurrentClampElectricalDevice)1
