Example 6 with MembraneSubDomain
use of cbit.vcell.math.MembraneSubDomain in project vcell by virtualcell.
the class SubdomainInfo method write.
public static void write(File file, MathDescription mathDesc) throws IOException, MathException {
PrintWriter pw = null;
try {
pw = new PrintWriter(new FileWriter(file));
pw.println("# " + VCML.CompartmentSubDomain + " name, handle");
pw.println("# " + VCML.MembraneSubDomain + " name, inside compartment name, handle, outside compartment name, handle");
Enumeration<SubDomain> subdomains = mathDesc.getSubDomains();
while (subdomains.hasMoreElements()) {
SubDomain sd = subdomains.nextElement();
if (sd instanceof CompartmentSubDomain) {
CompartmentSubDomain csd = (CompartmentSubDomain) sd;
pw.println(VCML.CompartmentSubDomain + ", " + csd.getName() + ", " + mathDesc.getHandle(csd));
} else if (sd instanceof MembraneSubDomain) {
MembraneSubDomain msd = (MembraneSubDomain) sd;
CompartmentSubDomain insideCompartment = msd.getInsideCompartment();
CompartmentSubDomain outsideCompartment = msd.getOutsideCompartment();
pw.println(VCML.MembraneSubDomain + ", " + msd.getName() + ", " + insideCompartment.getName() + ", " + mathDesc.getHandle(insideCompartment) + ", " + outsideCompartment.getName() + ", " + mathDesc.getHandle(outsideCompartment));
}
}
pw.close();
} finally {
if (pw != null) {
pw.close();
}
}
}
Also used :
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
SubDomain(cbit.vcell.math.SubDomain)
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
FileWriter(java.io.FileWriter)
PrintWriter(java.io.PrintWriter)
Example 7 with MembraneSubDomain
use of cbit.vcell.math.MembraneSubDomain in project vcell by virtualcell.
the class MathMapping_4_8 method refreshMathDescription.
/**
* This method was created in VisualAge.
*/
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();
Model model = simContext.getModel();
StructureTopology structTopology = model.getStructureTopology();
//
// verify that all structures are mapped to subvolumes and all subvolumes are mapped to a structure
//
Structure[] structures = simContext.getGeometryContext().getModel().getStructures();
for (int i = 0; i < structures.length; i++) {
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(structures[i]);
if (sm == null || (sm instanceof FeatureMapping && getSubVolume((FeatureMapping) sm) == null)) {
throw new MappingException("model structure '" + structures[i].getName() + "' not mapped to a geometry subdomain");
}
if (sm != null && (sm instanceof MembraneMapping) && ((MembraneMapping) sm).getVolumeFractionParameter() != null) {
Expression volFractExp = ((MembraneMapping) sm).getVolumeFractionParameter().getExpression();
if (volFractExp != null) {
try {
double volFract = volFractExp.evaluateConstant();
if (volFract >= 1.0) {
throw new MappingException("model structure '" + structTopology.getInsideFeature(((MembraneMapping) sm).getMembrane()).getName() + "' has volume fraction >= 1.0");
}
} catch (ExpressionException e) {
}
}
}
}
SubVolume[] subVolumes = simContext.getGeometryContext().getGeometry().getGeometrySpec().getSubVolumes();
for (int i = 0; i < subVolumes.length; i++) {
if (getStructures(subVolumes[i]) == null || getStructures(subVolumes[i]).length == 0) {
throw new MappingException("geometry subdomain '" + subVolumes[i].getName() + "' not mapped from a model structure");
}
}
// deals with model parameters
Hashtable<VolVariable, EventAssignmentInitParameter> eventVolVarHash = new Hashtable<VolVariable, EventAssignmentInitParameter>();
ModelParameter[] modelParameters = model.getModelParameters();
if (simContext.getGeometry().getDimension() == 0) {
//
// global parameters from model (that presently are constants)
//
BioEvent[] bioEvents = simContext.getBioEvents();
ArrayList<SymbolTableEntry> eventAssignTargets = new ArrayList<SymbolTableEntry>();
if (bioEvents != null && bioEvents.length > 0) {
for (BioEvent be : bioEvents) {
for (EventAssignment ea : be.getEventAssignments()) {
if (!eventAssignTargets.contains(ea.getTarget())) {
eventAssignTargets.add(ea.getTarget());
}
}
}
}
for (int j = 0; j < modelParameters.length; j++) {
Expression modelParamExpr = getIdentifierSubstitutions(modelParameters[j].getExpression(), modelParameters[j].getUnitDefinition(), null);
if (eventAssignTargets.contains(modelParameters[j])) {
EventAssignmentInitParameter eap = null;
try {
eap = addEventAssignmentInitParameter(modelParameters[j].getName(), modelParameters[j].getExpression(), PARAMETER_ROLE_EVENTASSIGN_INITCONDN, modelParameters[j].getUnitDefinition());
} catch (PropertyVetoException e) {
e.printStackTrace(System.out);
throw new MappingException(e.getMessage());
}
// varHash.addVariable(newFunctionOrConstant(getMathSymbol(eap, null), modelParamExpr));
VolVariable volVar = new VolVariable(modelParameters[j].getName(), nullDomain);
varHash.addVariable(volVar);
eventVolVarHash.put(volVar, eap);
} else {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(modelParameters[j], null), modelParamExpr));
}
}
} else {
//
for (int pass = 0; pass < 2; pass++) {
for (int j = 0; j < modelParameters.length; j++) {
Hashtable<String, Expression> structMappingVariantsHash = new Hashtable<String, Expression>();
for (int k = 0; k < structureMappings.length; k++) {
String paramVariantName = null;
Expression paramVariantExpr = null;
if (modelParameters[j].getExpression().getSymbols() == null) {
paramVariantName = modelParameters[j].getName();
paramVariantExpr = getIdentifierSubstitutions(modelParameters[j].getExpression(), modelParameters[j].getUnitDefinition(), null);
} else {
paramVariantName = modelParameters[j].getName() + "_" + TokenMangler.fixTokenStrict(structureMappings[k].getStructure().getName());
// if the expression has symbols that do not belong in that structureMapping, do not create the variant.
Expression exp1 = modelParameters[j].getExpression();
Expression flattenedModelParamExpr = substituteGlobalParameters(exp1);
String[] symbols = flattenedModelParamExpr.getSymbols();
boolean bValid = true;
Structure sm_struct = structureMappings[k].getStructure();
if (symbols != null) {
for (int ii = 0; ii < symbols.length; ii++) {
SpeciesContext sc = model.getSpeciesContext(symbols[ii]);
if (sc != null) {
// symbol[ii] is a speciesContext, check its structure with structureMapping[k].structure. If they are the same or
// if it is the adjacent membrane(s), allow variant expression to be created. Else, continue.
Structure sp_struct = sc.getStructure();
if (sp_struct.compareEqual(sm_struct)) {
bValid = bValid && true;
} else {
// if the 2 structures are not the same, are they adjacent? then 'bValid' is true, else false.
if ((sm_struct instanceof Feature) && (sp_struct instanceof Membrane)) {
Feature sm_feature = (Feature) sm_struct;
Membrane sp_mem = (Membrane) sp_struct;
if (sp_mem.compareEqual(structTopology.getParentStructure(sm_feature)) || (structTopology.getInsideFeature(sp_mem).compareEqual(sm_feature) || structTopology.getOutsideFeature(sp_mem).compareEqual(sm_feature))) {
bValid = bValid && true;
} else {
bValid = bValid && false;
break;
}
} else if ((sm_struct instanceof Membrane) && (sp_struct instanceof Feature)) {
Feature sp_feature = (Feature) sp_struct;
Membrane sm_mem = (Membrane) sm_struct;
if (sm_mem.compareEqual(structTopology.getParentStructure(sp_feature)) || (structTopology.getInsideFeature(sm_mem).compareEqual(sp_feature) || structTopology.getOutsideFeature(sm_mem).compareEqual(sp_feature))) {
bValid = bValid && true;
} else {
bValid = bValid && false;
break;
}
} else {
bValid = bValid && false;
break;
}
}
}
}
}
if (bValid) {
if (pass == 0) {
paramVariantExpr = new Expression("VCELL_TEMPORARY_EXPRESSION_PLACEHOLDER");
} else {
paramVariantExpr = getIdentifierSubstitutions(modelParameters[j].getExpression(), modelParameters[j].getUnitDefinition(), structureMappings[k]);
}
}
}
if (paramVariantExpr != null) {
structMappingVariantsHash.put(paramVariantName, paramVariantExpr);
}
}
globalParamVariantsHash.put(modelParameters[j], structMappingVariantsHash);
}
}
//
for (int j = 0; j < modelParameters.length; j++) {
if (modelParameters[j].getExpression().getSymbols() == null) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(modelParameters[j], null), getIdentifierSubstitutions(modelParameters[j].getExpression(), modelParameters[j].getUnitDefinition(), null)));
} else {
Hashtable<String, Expression> smVariantsHash = globalParamVariantsHash.get(modelParameters[j]);
for (int k = 0; k < structureMappings.length; k++) {
String variantName = modelParameters[j].getName() + "_" + TokenMangler.fixTokenStrict(structureMappings[k].getStructure().getName());
Expression variantExpr = smVariantsHash.get(variantName);
if (variantExpr != null) {
varHash.addVariable(newFunctionOrConstant(variantName, variantExpr));
}
}
}
}
}
//
// gather only those reactionSteps that are not "excluded"
//
ReactionSpec[] reactionSpecs = simContext.getReactionContext().getReactionSpecs();
Vector<ReactionStep> rsList = new Vector<ReactionStep>();
for (int i = 0; i < reactionSpecs.length; i++) {
if (reactionSpecs[i].isExcluded() == false) {
rsList.add(reactionSpecs[i].getReactionStep());
}
}
ReactionStep[] reactionSteps = new ReactionStep[rsList.size()];
rsList.copyInto(reactionSteps);
//
for (int i = 0; i < reactionSteps.length; i++) {
Kinetics.UnresolvedParameter[] unresolvedParameters = reactionSteps[i].getKinetics().getUnresolvedParameters();
if (unresolvedParameters != null && unresolvedParameters.length > 0) {
StringBuffer buffer = new StringBuffer();
for (int j = 0; j < unresolvedParameters.length; j++) {
if (j > 0) {
buffer.append(", ");
}
buffer.append(unresolvedParameters[j].getName());
}
throw new MappingException(reactionSteps[i].getDisplayType() + " '" + reactionSteps[i].getName() + "' contains unresolved identifier(s): " + buffer);
}
}
//
// create new MathDescription (based on simContext's previous MathDescription if possible)
//
MathDescription oldMathDesc = simContext.getMathDescription();
mathDesc = null;
if (oldMathDesc != null) {
if (oldMathDesc.getVersion() != null) {
mathDesc = new MathDescription(oldMathDesc.getVersion());
} else {
mathDesc = new MathDescription(oldMathDesc.getName());
}
} else {
mathDesc = new MathDescription(simContext.getName() + "_generated");
}
//
// 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());
}
}
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;
}
}
}
// (simContext.getGeometry().getDimension() == 0);
potentialMapping = new PotentialMapping(simContext, this);
potentialMapping.computeMath();
if (bCalculatePotential) {
//
// 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), getIdentifierSubstitutions(specificCapacitanceParm.getExpression(), specificCapacitanceParm.getUnitDefinition(), memMapping)));
ElectricalDevice.ElectricalDeviceParameter transmembraneCurrentParm = membraneElectricalDevice.getParameterFromRole(ElectricalDevice.ROLE_TransmembraneCurrent);
ElectricalDevice.ElectricalDeviceParameter totalCurrentParm = membraneElectricalDevice.getParameterFromRole(ElectricalDevice.ROLE_TotalCurrent);
ElectricalDevice.ElectricalDeviceParameter capacitanceParm = membraneElectricalDevice.getParameterFromRole(ElectricalDevice.ROLE_Capacitance);
if (totalCurrentParm != null && /* totalCurrentDensityParm.getExpression()!=null && */
memMapping.getCalculateVoltage()) {
Expression totalCurrentDensityExp = (totalCurrentParm.getExpression() != null) ? (totalCurrentParm.getExpression()) : (new Expression(0.0));
varHash.addVariable(newFunctionOrConstant(getMathSymbol(totalCurrentParm, membraneElectricalDevice.getMembraneMapping()), getIdentifierSubstitutions(totalCurrentDensityExp, totalCurrentParm.getUnitDefinition(), membraneElectricalDevice.getMembraneMapping())));
}
if (transmembraneCurrentParm != null && transmembraneCurrentParm.getExpression() != null && memMapping.getCalculateVoltage()) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(transmembraneCurrentParm, membraneElectricalDevice.getMembraneMapping()), getIdentifierSubstitutions(transmembraneCurrentParm.getExpression(), transmembraneCurrentParm.getUnitDefinition(), membraneElectricalDevice.getMembraneMapping())));
}
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, membraneElectricalDevice.getMembraneMapping()), getIdentifierSubstitutions(Expression.mult(memMapping.getNullSizeParameterValue(), specificCapacitanceParm.getExpression()), capacitanceParm.getUnitDefinition(), membraneElectricalDevice.getMembraneMapping())));
} else {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(capacitanceParm, membraneElectricalDevice.getMembraneMapping()), getIdentifierSubstitutions(capacitanceParm.getExpression(), capacitanceParm.getUnitDefinition(), membraneElectricalDevice.getMembraneMapping())));
}
}
//
if (membraneElectricalDevice.getDependentVoltageExpression() == null) {
// is Voltage Independent?
StructureMapping.StructureMappingParameter initialVoltageParm = memMapping.getInitialVoltageParameter();
varHash.addVariable(newFunctionOrConstant(getMathSymbol(initialVoltageParm, memMapping), getIdentifierSubstitutions(initialVoltageParm.getExpression(), initialVoltageParm.getUnitDefinition(), memMapping)));
} else //
// membrane forced potential
//
{
varHash.addVariable(newFunctionOrConstant(getMathSymbol(memMapping.getMembrane().getMembraneVoltage(), memMapping), getIdentifierSubstitutions(membraneElectricalDevice.getDependentVoltageExpression(), memMapping.getMembrane().getMembraneVoltage().getUnitDefinition(), memMapping)));
}
} 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();
varHash.addVariable(newFunctionOrConstant(getMathSymbol(totalCurrentParm, null), getIdentifierSubstitutions(totalCurrentParm.getExpression(), totalCurrentParm.getUnitDefinition(), null)));
varHash.addVariable(newFunctionOrConstant(getMathSymbol(currentParm, null), getIdentifierSubstitutions(currentParm.getExpression(), currentParm.getUnitDefinition(), null)));
// 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(), null)));
}
}
} else if (devices[j] instanceof VoltageClampElectricalDevice) {
VoltageClampElectricalDevice voltageClampDevice = (VoltageClampElectricalDevice) devices[j];
// 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, null), getIdentifierSubstitutions(totalCurrent.getExpression(), totalCurrent.getUnitDefinition(), null)));
varHash.addVariable(newFunctionOrConstant(getMathSymbol(totalCurrentParm, null), getIdentifierSubstitutions(totalCurrentParm.getExpression(), totalCurrentParm.getUnitDefinition(), null)));
varHash.addVariable(newFunctionOrConstant(getMathSymbol(voltageParm, null), getIdentifierSubstitutions(voltageParm.getExpression(), voltageParm.getUnitDefinition(), null)));
//
// 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], null), getIdentifierSubstitutions(parameters[k].getExpression(), parameters[k].getUnitDefinition(), null)));
}
}
}
}
} 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), getIdentifierSubstitutions(memMapping.getInitialVoltageParameter().getExpression(), memMapping.getInitialVoltageParameter().getUnitDefinition(), memMapping)));
}
}
}
//
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) {
if (membraneMapping.getCalculateVoltage() && bCalculatePotential) {
if (getResolved(membraneMapping)) {
//
if (mathDesc.getVariable(Membrane.MEMBRANE_VOLTAGE_REGION_NAME) == null) {
// varHash.addVariable(new MembraneRegionVariable(MembraneVoltage.MEMBRANE_VOLTAGE_REGION_NAME));
varHash.addVariable(new MembraneRegionVariable(getMathSymbol(membraneVoltage, membraneMapping), nullDomain));
}
} else {
//
// spatially unresolved membrane, and must solve for potential ... make VolVariable for this compartment
//
varHash.addVariable(new VolVariable(getMathSymbol(membraneVoltage, membraneMapping), nullDomain));
}
Parameter initialVoltageParm = membraneMapping.getInitialVoltageParameter();
Variable initVoltageFunction = newFunctionOrConstant(getMathSymbol(initialVoltageParm, membraneMapping), getIdentifierSubstitutions(initialVoltageParm.getExpression(), initialVoltageParm.getUnitDefinition(), membraneMapping));
varHash.addVariable(initVoltageFunction);
} else {
//
// don't calculate voltage, still may need it though
//
Parameter initialVoltageParm = membraneMapping.getInitialVoltageParameter();
Variable voltageFunction = newFunctionOrConstant(getMathSymbol(membraneMapping.getMembrane().getMembraneVoltage(), membraneMapping), getIdentifierSubstitutions(initialVoltageParm.getExpression(), initialVoltageParm.getUnitDefinition(), membraneMapping));
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();
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(rs.getStructure());
if (parameters != null) {
for (int i = 0; i < parameters.length; i++) {
if (((parameters[i].getRole() == Kinetics.ROLE_CurrentDensity) || (parameters[i].getRole() == Kinetics.ROLE_LumpedCurrent)) && (parameters[i].getExpression() == null || parameters[i].getExpression().isZero())) {
continue;
}
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parameters[i], sm), getIdentifierSubstitutions(parameters[i].getExpression(), parameters[i].getUnitDefinition(), sm)));
}
}
}
//
// initial constants (either function or constant)
//
SpeciesContextSpec[] speciesContextSpecs = simContext.getReactionContext().getSpeciesContextSpecs();
for (int i = 0; i < speciesContextSpecs.length; i++) {
SpeciesContextSpecParameter initParm = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration);
if (initParm != null) {
Expression initExpr = new Expression(initParm.getExpression());
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(speciesContextSpecs[i].getSpeciesContext().getStructure());
String[] symbols = initExpr.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 = initExpr.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_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());
// scsInitExpr.bindExpression(this);
initExpr.substituteInPlace(new Expression(spC.getName()), scsInitExpr);
}
}
}
// now create the appropriate function for the current speciesContextSpec.
varHash.addVariable(newFunctionOrConstant(getMathSymbol(initParm, sm), getIdentifierSubstitutions(initExpr, initParm.getUnitDefinition(), sm)));
}
}
//
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), getIdentifierSubstitutions(diffParm.getExpression(), diffParm.getUnitDefinition(), sm)));
}
}
//
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), getIdentifierSubstitutions(bc_xm.getExpression(), bc_xm.getUnitDefinition(), sm)));
}
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), getIdentifierSubstitutions(bc_xp.getExpression(), bc_xp.getUnitDefinition(), sm)));
}
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), getIdentifierSubstitutions(bc_ym.getExpression(), bc_ym.getUnitDefinition(), sm)));
}
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), getIdentifierSubstitutions(bc_yp.getExpression(), bc_yp.getUnitDefinition(), sm)));
}
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), getIdentifierSubstitutions(bc_zm.getExpression(), bc_zm.getUnitDefinition(), sm)));
}
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), getIdentifierSubstitutions(bc_zp.getExpression(), bc_zp.getUnitDefinition(), sm)));
}
}
//
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());
if (advection_velX != null && (advection_velX.getExpression() != null)) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(advection_velX, sm), getIdentifierSubstitutions(advection_velX.getExpression(), advection_velX.getUnitDefinition(), sm)));
}
SpeciesContextSpec.SpeciesContextSpecParameter advection_velY = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_VelocityY);
if (advection_velY != null && (advection_velY.getExpression() != null)) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(advection_velY, sm), getIdentifierSubstitutions(advection_velY.getExpression(), advection_velY.getUnitDefinition(), sm)));
}
SpeciesContextSpec.SpeciesContextSpecParameter advection_velZ = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_VelocityZ);
if (advection_velZ != null && (advection_velZ.getExpression() != null)) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(advection_velZ, sm), getIdentifierSubstitutions(advection_velZ.getExpression(), advection_velZ.getUnitDefinition(), sm)));
}
}
//
// constant species (either function or constant)
//
enum1 = getSpeciesContextMappings();
while (enum1.hasMoreElements()) {
SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
if (scm.getVariable() instanceof Constant) {
varHash.addVariable(scm.getVariable());
}
}
//
// conversion factors
//
varHash.addVariable(new Constant(getMathSymbol(model.getKMOLE(), null), 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)));
//
// geometric functions
//
ModelUnitSystem modelUnitSystem = simContext.getModel().getUnitSystem();
VCUnitDefinition lengthInverseUnit = modelUnitSystem.getLengthUnit().getInverse();
for (int i = 0; i < structureMappings.length; i++) {
StructureMapping sm = structureMappings[i];
Parameter parm = sm.getParameterFromRole(StructureMapping.ROLE_VolumeFraction);
if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SubVolume) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm)));
}
parm = sm.getParameterFromRole(StructureMapping.ROLE_SurfaceToVolumeRatio);
if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SubVolume) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm)));
}
if (sm instanceof MembraneMapping && !getResolved(sm)) {
MembraneMapping mm = (MembraneMapping) sm;
parm = ((MembraneMapping) sm).getVolumeFractionParameter();
if (parm.getExpression() == null) {
throw new MappingException("volume fraction not specified for feature '" + structTopology.getInsideFeature(mm.getMembrane()).getName() + "', please refer to Structure Mapping in Application '" + simContext.getName() + "'");
}
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), modelUnitSystem.getInstance_DIMENSIONLESS(), sm)));
parm = mm.getSurfaceToVolumeParameter();
if (parm.getExpression() == null) {
throw new MappingException("surface to volume ratio not specified for membrane '" + mm.getMembrane().getName() + "', please refer to Structure Mapping in Application '" + simContext.getName() + "'");
}
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), lengthInverseUnit, sm)));
}
StructureMappingParameter sizeParm = sm.getSizeParameter();
if (sizeParm != null) {
if (simContext.getGeometry().getDimension() == 0) {
if (sizeParm.getExpression() != null) {
try {
double value = sizeParm.getExpression().evaluateConstant();
varHash.addVariable(new Constant(getMathSymbol(sizeParm, sm), new Expression(value)));
} catch (ExpressionException e) {
// varHash.addVariable(new Function(getMathSymbol(parm,sm),getIdentifierSubstitutions(parm.getExpression(),parm.getUnitDefinition(),sm)));
e.printStackTrace(System.out);
throw new MappingException("Size of structure:" + sm.getNameScope().getName() + " cannot be evaluated as constant.");
}
}
} else {
String compartmentName = null;
VCUnitDefinition sizeUnit = sm.getSizeParameter().getUnitDefinition();
String sizeFunctionName = null;
if (sm instanceof MembraneMapping) {
MembraneMapping mm = (MembraneMapping) sm;
if (getResolved(mm)) {
FeatureMapping fm_inside = (FeatureMapping) simContext.getGeometryContext().getStructureMapping(structTopology.getInsideFeature(mm.getMembrane()));
FeatureMapping fm_outside = (FeatureMapping) simContext.getGeometryContext().getStructureMapping(structTopology.getOutsideFeature(mm.getMembrane()));
compartmentName = getSubVolume(fm_inside).getName() + "_" + getSubVolume(fm_outside).getName();
sizeFunctionName = MathFunctionDefinitions.Function_regionArea_current.getFunctionName();
} else {
FeatureMapping fm_inside = (FeatureMapping) simContext.getGeometryContext().getStructureMapping(structTopology.getInsideFeature(mm.getMembrane()));
FeatureMapping fm_outside = (FeatureMapping) simContext.getGeometryContext().getStructureMapping(structTopology.getOutsideFeature(mm.getMembrane()));
if (getSubVolume(fm_inside) == getSubVolume(fm_outside)) {
compartmentName = getSubVolume(fm_inside).getName();
sizeFunctionName = MathFunctionDefinitions.Function_regionVolume_current.getFunctionName();
} else {
throw new RuntimeException("unexpected structure mapping for membrane '" + mm.getMembrane().getName() + "'");
}
}
} else if (sm instanceof FeatureMapping) {
FeatureMapping fm = (FeatureMapping) sm;
compartmentName = getSubVolume(fm).getName();
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), getIdentifierSubstitutions(Expression.mult(totalVolumeCorrection, sizeFunctionExpression), sizeUnit, sm)));
parm = sm.getParameterFromRole(StructureMapping.ROLE_AreaPerUnitArea);
if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SurfaceClass) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm)));
}
parm = sm.getParameterFromRole(StructureMapping.ROLE_AreaPerUnitVolume);
if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SubVolume) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm)));
}
parm = sm.getParameterFromRole(StructureMapping.ROLE_VolumePerUnitArea);
if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SurfaceClass) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm)));
}
parm = sm.getParameterFromRole(StructureMapping.ROLE_VolumePerUnitVolume);
if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SubVolume) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm)));
}
}
}
}
//
for (int i = 0; i < fieldMathMappingParameters.length; i++) {
varHash.addVariable(newFunctionOrConstant(getMathSymbol(fieldMathMappingParameters[i], null), getIdentifierSubstitutions(fieldMathMappingParameters[i].getExpression(), fieldMathMappingParameters[i].getUnitDefinition(), null)));
}
//
// functions
//
enum1 = getSpeciesContextMappings();
while (enum1.hasMoreElements()) {
SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
if (scm.getVariable() == null && scm.getDependencyExpression() != null) {
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(scm.getSpeciesContext().getStructure());
varHash.addVariable(newFunctionOrConstant(getMathSymbol(scm.getSpeciesContext(), sm), getIdentifierSubstitutions(scm.getDependencyExpression(), scm.getSpeciesContext().getUnitDefinition(), sm)));
}
}
//
// 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");
}
//
// volume subdomains
//
subVolumes = simContext.getGeometryContext().getGeometry().getGeometrySpec().getSubVolumes();
VCUnitDefinition timeUnit = modelUnitSystem.getTimeUnit();
for (int j = 0; j < subVolumes.length; j++) {
SubVolume subVolume = (SubVolume) subVolumes[j];
//
// get priority of subDomain
//
int priority;
Feature spatialFeature = getResolvedFeature(subVolume);
if (spatialFeature == null) {
if (simContext.getGeometryContext().getGeometry().getDimension() > 0) {
throw new MappingException("no compartment (in Physiology) is mapped to subdomain '" + subVolume.getName() + "' (in Geometry)");
} else {
priority = CompartmentSubDomain.NON_SPATIAL_PRIORITY;
}
} else {
// now does not have to match spatial feature, *BUT* needs to be unique
priority = j;
}
//
// create subDomain
//
CompartmentSubDomain subDomain = new CompartmentSubDomain(subVolume.getName(), priority);
mathDesc.addSubDomain(subDomain);
//
if (spatialFeature != null) {
FeatureMapping fm = (FeatureMapping) simContext.getGeometryContext().getStructureMapping(spatialFeature);
subDomain.setBoundaryConditionXm(fm.getBoundaryConditionTypeXm());
subDomain.setBoundaryConditionXp(fm.getBoundaryConditionTypeXp());
if (simContext.getGeometry().getDimension() > 1) {
subDomain.setBoundaryConditionYm(fm.getBoundaryConditionTypeYm());
subDomain.setBoundaryConditionYp(fm.getBoundaryConditionTypeYp());
}
if (simContext.getGeometry().getDimension() > 2) {
subDomain.setBoundaryConditionZm(fm.getBoundaryConditionTypeZm());
subDomain.setBoundaryConditionZp(fm.getBoundaryConditionTypeZp());
}
}
//
// create equations
//
VolumeStructureAnalyzer structureAnalyzer = getVolumeStructureAnalyzer(subVolume);
Enumeration<SpeciesContextMapping> enumSCM = getSpeciesContextMappings();
while (enumSCM.hasMoreElements()) {
SpeciesContextMapping scm = enumSCM.nextElement();
//
if (scm.getVariable() instanceof VolVariable && scm.getDependencyExpression() == null) {
SpeciesContext sc = scm.getSpeciesContext();
StructureMapping sm = simContext.getGeometryContext().getStructureMapping(sc.getStructure());
SpeciesContextSpec scs = simContext.getReactionContext().getSpeciesContextSpec(sc);
VolVariable variable = (VolVariable) scm.getVariable();
Equation equation = null;
if ((scm.isPDERequired()) && sm instanceof FeatureMapping) {
//
if (getSubVolume((FeatureMapping) sm) == subVolume) {
//
// species context belongs to this subDomain
//
Expression initial = new Expression(getMathSymbol(scs.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration), sm));
Expression rate = getIdentifierSubstitutions(scm.getRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), simContext.getGeometryContext().getStructureMapping(sc.getStructure()));
Expression diffusion = new Expression(getMathSymbol(scs.getDiffusionParameter(), sm));
equation = new PdeEquation(variable, initial, rate, diffusion);
((PdeEquation) equation).setBoundaryXm((scs.getBoundaryXmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryXmParameter(), sm)));
((PdeEquation) equation).setBoundaryXp((scs.getBoundaryXpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryXpParameter(), sm)));
((PdeEquation) equation).setBoundaryYm((scs.getBoundaryYmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryYmParameter(), sm)));
((PdeEquation) equation).setBoundaryYp((scs.getBoundaryYpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryYpParameter(), sm)));
((PdeEquation) equation).setBoundaryZm((scs.getBoundaryZmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryZmParameter(), sm)));
((PdeEquation) equation).setBoundaryZp((scs.getBoundaryZpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryZpParameter(), sm)));
((PdeEquation) equation).setVelocityX((scs.getVelocityXParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getVelocityXParameter(), sm)));
((PdeEquation) equation).setVelocityY((scs.getVelocityYParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getVelocityYParameter(), sm)));
((PdeEquation) equation).setVelocityZ((scs.getVelocityZParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getVelocityZParameter(), sm)));
subDomain.replaceEquation(equation);
} else {
Expression initial = new Expression(0.0);
Expression rate = new Expression(0.0);
Expression diffusion = new Expression(getMathSymbol(scs.getDiffusionParameter(), sm));
equation = new PdeEquation(variable, initial, rate, diffusion);
if (subDomain.getEquation(variable) == null) {
subDomain.addEquation(equation);
}
}
} else {
//
// ODE
//
SubVolume mappedSubVolume = null;
if (sm instanceof FeatureMapping) {
mappedSubVolume = getSubVolume((FeatureMapping) sm);
} else if (sm instanceof MembraneMapping) {
// membrane is mapped to that of the inside feature
FeatureMapping featureMapping = (FeatureMapping) simContext.getGeometryContext().getStructureMapping(structTopology.getInsideFeature((Membrane) sm.getStructure()));
mappedSubVolume = getSubVolume(featureMapping);
}
if (mappedSubVolume == subVolume) {
//
// species context belongs to this subDomain
//
Expression initial = new Expression(getMathSymbol(scs.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration), null));
Expression rate = (scm.getRate() == null) ? new Expression(0.0) : getIdentifierSubstitutions(scm.getRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), simContext.getGeometryContext().getStructureMapping(sc.getStructure()));
equation = new OdeEquation(variable, initial, rate);
subDomain.replaceEquation(equation);
} else {
Expression initial = new Expression(0.0);
Expression rate = new Expression(0.0);
equation = new OdeEquation(variable, initial, rate);
if (subDomain.getEquation(variable) == null) {
subDomain.addEquation(equation);
}
}
}
}
}
//
// create fast system (if neccessary)
//
SpeciesContextMapping[] fastSpeciesContextMappings = structureAnalyzer.getFastSpeciesContextMappings();
VCUnitDefinition subDomainUnit = modelUnitSystem.getVolumeConcentrationUnit();
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), simContext.getGeometryContext().getStructureMapping(getResolvedFeature(subVolume)));
FastRate fastRate = new FastRate(rate);
fastSystem.addFastRate(fastRate);
} else {
//
// dependant-fast variable, create a fastInvariant object
//
Expression rate = getIdentifierSubstitutions(scm.getFastInvariant(), subDomainUnit, simContext.getGeometryContext().getStructureMapping(getResolvedFeature(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 = getStructures(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 (!getResolved(membraneMapping) && membraneMapping.getCalculateVoltage()) {
MembraneElectricalDevice capacitiveDevice = potentialMapping.getCapacitiveDevice(membrane);
if (capacitiveDevice.getDependentVoltageExpression() == null) {
VolVariable vVar = (VolVariable) mathDesc.getVariable(getMathSymbol(capacitiveDevice.getVoltageSymbol(), membraneMapping));
Expression initExp = new Expression(getMathSymbol(capacitiveDevice.getMembraneMapping().getInitialVoltageParameter(), membraneMapping));
subDomain.addEquation(new OdeEquation(vVar, initExp, getIdentifierSubstitutions(potentialMapping.getOdeRHS(capacitiveDevice, this), membrane.getMembraneVoltage().getUnitDefinition().divideBy(timeUnit), membraneMapping)));
} else {
//
//
//
}
}
}
}
}
//
for (int k = 0; k < subVolumes.length; k++) {
SubVolume subVolume = (SubVolume) subVolumes[k];
//
// if there is a spatially resolved membrane surrounding this subVolume, then create a membraneSubDomain
//
structures = getStructures(subVolume);
Membrane membrane = null;
if (structures != null) {
for (int j = 0; j < structures.length; j++) {
if (structures[j] instanceof Membrane && getResolved(simContext.getGeometryContext().getStructureMapping(structures[j]))) {
membrane = (Membrane) structures[j];
}
}
}
if (membrane == null) {
continue;
}
SubVolume outerSubVolume = getSubVolume(((FeatureMapping) simContext.getGeometryContext().getStructureMapping(structTopology.getOutsideFeature(membrane))));
SubVolume innerSubVolume = getSubVolume(((FeatureMapping) simContext.getGeometryContext().getStructureMapping(structTopology.getInsideFeature(membrane))));
if (innerSubVolume != subVolume) {
throw new MappingException("membrane " + membrane.getName() + " improperly mapped to inner subVolume " + innerSubVolume.getName());
}
//
// get priority of subDomain
//
// Feature spatialFeature = simContext.getGeometryContext().getResolvedFeature(subVolume);
// int priority = spatialFeature.getPriority();
//
// create subDomain
//
CompartmentSubDomain outerCompartment = mathDesc.getCompartmentSubDomain(outerSubVolume.getName());
CompartmentSubDomain innerCompartment = mathDesc.getCompartmentSubDomain(innerSubVolume.getName());
SurfaceClass surfaceClass = simContext.getGeometry().getGeometrySurfaceDescription().getSurfaceClass(innerSubVolume, outerSubVolume);
MembraneSubDomain memSubDomain = new MembraneSubDomain(innerCompartment, outerCompartment, surfaceClass.getName());
mathDesc.addSubDomain(memSubDomain);
//
// create equations for membrane-bound molecular species
//
MembraneStructureAnalyzer membraneStructureAnalyzer = getMembraneStructureAnalyzer(membrane);
Enumeration<SpeciesContextMapping> enumSCM = getSpeciesContextMappings();
while (enumSCM.hasMoreElements()) {
SpeciesContextMapping scm = enumSCM.nextElement();
SpeciesContext sc = scm.getSpeciesContext();
SpeciesContextSpec scs = simContext.getReactionContext().getSpeciesContextSpec(sc);
//
if ((scm.getVariable() instanceof MemVariable) && scm.getDependencyExpression() == null) {
//
// independant variable, create an equation object
//
Equation equation = null;
MemVariable variable = (MemVariable) scm.getVariable();
MembraneMapping mm = (MembraneMapping) simContext.getGeometryContext().getStructureMapping(sc.getStructure());
if (scm.isPDERequired()) {
//
if (mm.getMembrane() == membrane) {
//
// species context belongs to this subDomain
//
Expression initial = new Expression(getMathSymbol(scs.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration), mm));
Expression rate = getIdentifierSubstitutions(scm.getRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), simContext.getGeometryContext().getStructureMapping(sc.getStructure()));
Expression diffusion = new Expression(getMathSymbol(scs.getDiffusionParameter(), mm));
equation = new PdeEquation(variable, initial, rate, diffusion);
((PdeEquation) equation).setBoundaryXm((scs.getBoundaryXmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryXmParameter(), mm)));
((PdeEquation) equation).setBoundaryXp((scs.getBoundaryXpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryXpParameter(), mm)));
((PdeEquation) equation).setBoundaryYm((scs.getBoundaryYmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryYmParameter(), mm)));
((PdeEquation) equation).setBoundaryYp((scs.getBoundaryYpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryYpParameter(), mm)));
((PdeEquation) equation).setBoundaryZm((scs.getBoundaryZmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryZmParameter(), mm)));
((PdeEquation) equation).setBoundaryZp((scs.getBoundaryZpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryZpParameter(), mm)));
memSubDomain.replaceEquation(equation);
} else {
Expression initial = new Expression(0.0);
Expression rate = new Expression(0.0);
Expression diffusion = new Expression(getMathSymbol(scs.getDiffusionParameter(), mm));
equation = new PdeEquation(variable, initial, rate, diffusion);
if (memSubDomain.getEquation(variable) == null) {
memSubDomain.addEquation(equation);
}
}
} else {
//
if (mm.getMembrane() == membrane) {
//
// 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()));
equation = new OdeEquation(variable, initial, rate);
memSubDomain.replaceEquation(equation);
} else {
Expression initial = new Expression(0.0);
Expression rate = new Expression(0.0);
equation = new OdeEquation(variable, initial, rate);
if (memSubDomain.getEquation(variable) == null) {
memSubDomain.addEquation(equation);
}
}
}
}
}
//
// create dummy jump conditions for all volume variables that diffuse and/or advect
//
Enumeration<SpeciesContextMapping> enum_scm = getSpeciesContextMappings();
while (enum_scm.hasMoreElements()) {
SpeciesContextMapping scm = enum_scm.nextElement();
if (scm.isPDERequired()) {
// Species species = scm.getSpeciesContext().getSpecies();
Variable var = scm.getVariable();
if (var instanceof VolVariable && (scm.isPDERequired())) {
JumpCondition jc = memSubDomain.getJumpCondition((VolVariable) var);
if (jc == null) {
// System.out.println("MathMapping.refreshMathDescription(), adding jump condition for diffusing variable "+var.getName()+" on membrane "+membraneStructureAnalyzer.getMembrane().getName());
jc = new JumpCondition((VolVariable) var);
memSubDomain.addJumpCondition(jc);
}
}
}
}
//
// create jump conditions for any volume variables that bind to membrane or have explicitly defined fluxes
//
ResolvedFlux[] resolvedFluxes = membraneStructureAnalyzer.getResolvedFluxes();
if (resolvedFluxes != null) {
for (int i = 0; i < resolvedFluxes.length; i++) {
Species species = resolvedFluxes[i].getSpecies();
SpeciesContext sc = simContext.getReactionContext().getModel().getSpeciesContext(species, structTopology.getInsideFeature(membraneStructureAnalyzer.getMembrane()));
if (sc == null) {
sc = simContext.getReactionContext().getModel().getSpeciesContext(species, structTopology.getOutsideFeature(membraneStructureAnalyzer.getMembrane()));
}
SpeciesContextMapping scm = getSpeciesContextMapping(sc);
// if (scm.getVariable() instanceof VolVariable && scm.isDiffusing()){
if (scm.getVariable() instanceof VolVariable && ((MembraneStructureAnalyzer.bNoFluxIfFixed || (scm.isPDERequired())))) {
if (MembraneStructureAnalyzer.bNoFluxIfFixed && !scm.isPDERequired()) {
MembraneStructureAnalyzer.bNoFluxIfFixedExercised = true;
}
JumpCondition jc = memSubDomain.getJumpCondition((VolVariable) scm.getVariable());
if (jc == null) {
jc = new JumpCondition((VolVariable) scm.getVariable());
memSubDomain.addJumpCondition(jc);
}
Expression inFlux = getIdentifierSubstitutions(resolvedFluxes[i].inFluxExpression, resolvedFluxes[i].getUnitDefinition(), simContext.getGeometryContext().getStructureMapping(membraneStructureAnalyzer.getMembrane()));
jc.setInFlux(inFlux);
Expression outFlux = getIdentifierSubstitutions(resolvedFluxes[i].outFluxExpression, resolvedFluxes[i].getUnitDefinition(), simContext.getGeometryContext().getStructureMapping(membraneStructureAnalyzer.getMembrane()));
jc.setOutFlux(outFlux);
} else {
throw new MappingException("APPLICATION " + simContext.getName() + " : " + scm.getSpeciesContext().getName() + " has spatially resolved flux at membrane " + membrane.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);
MembraneMapping membraneMapping = (MembraneMapping) simContext.getGeometryContext().getStructureMapping(membraneStructureAnalyzer.getMembrane());
FastRate fastRate = new FastRate(getIdentifierSubstitutions(scm.getFastRate(), rateUnit, membraneMapping));
fastSystem.addFastRate(fastRate);
} else {
//
// dependant-fast variable, create a fastInvariant object
//
VCUnitDefinition invariantUnit = scm.getSpeciesContext().getUnitDefinition();
MembraneMapping membraneMapping = (MembraneMapping) simContext.getGeometryContext().getStructureMapping(membraneStructureAnalyzer.getMembrane());
FastInvariant fastInvariant = new FastInvariant(getIdentifierSubstitutions(scm.getFastInvariant(), invariantUnit, membraneMapping));
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
//
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)) instanceof MembraneRegionVariable) {
MembraneRegionVariable vVar = (MembraneRegionVariable) mathDesc.getVariable(getMathSymbol(capacitiveDevice.getVoltageSymbol(), membraneMapping));
Parameter initialVoltageParm = capacitiveDevice.getMembraneMapping().getInitialVoltageParameter();
Expression initExp = getIdentifierSubstitutions(initialVoltageParm.getExpression(), initialVoltageParm.getUnitDefinition(), capacitiveDevice.getMembraneMapping());
MembraneRegionEquation vEquation = new MembraneRegionEquation(vVar, initExp);
vEquation.setMembraneRateExpression(getIdentifierSubstitutions(potentialMapping.getOdeRHS(capacitiveDevice, this), membrane.getMembraneVoltage().getUnitDefinition().divideBy(timeUnit), capacitiveDevice.getMembraneMapping()));
memSubDomain.addEquation(vEquation);
}
}
}
// create equations for event assign targets that are model params/strutureSize, etc.
Set<VolVariable> hashKeySet = eventVolVarHash.keySet();
Iterator<VolVariable> volVarsIter = hashKeySet.iterator();
// working under teh 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();
EventAssignmentInitParameter eap = eventVolVarHash.get(volVar);
Expression rateExpr = new Expression(0.0);
Equation equation = new OdeEquation(volVar, new Expression(getMathSymbol(eap, null)), rateExpr);
subDomain.addEquation(equation);
}
// events - add events to math desc and odes for event assignments that have parameters as target variables
BioEvent[] bioevents = simContext.getBioEvents();
if (bioevents != null && bioevents.length > 0) {
for (BioEvent be : bioevents) {
// transform the bioEvent trigger/delay to math Event
Expression mathTriggerExpr = getIdentifierSubstitutions(be.generateTriggerExpression(), modelUnitSystem.getInstance_DIMENSIONLESS(), null);
Delay mathDelay = null;
if (be.getParameter(BioEventParameterType.TriggerDelay) != null) {
boolean bUseValsFromTriggerTime = be.getUseValuesFromTriggerTime();
Expression mathDelayExpr = getIdentifierSubstitutions(be.getParameter(BioEventParameterType.TriggerDelay).getExpression(), 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>();
for (EventAssignment ea : eventAssignments) {
SymbolTableEntry ste = simContext.getEntry(ea.getTarget().getName());
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 (!mathDesc.isValid()) {
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 :
MembraneMapping(cbit.vcell.mapping.MembraneMapping)
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
ArrayList(java.util.ArrayList)
SpeciesContext(cbit.vcell.model.SpeciesContext)
StructureMappingParameter(cbit.vcell.mapping.StructureMapping.StructureMappingParameter)
Feature(cbit.vcell.model.Feature)
MemVariable(cbit.vcell.math.MemVariable)
KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter)
SubVolume(cbit.vcell.geometry.SubVolume)
Vector(java.util.Vector)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
StructureTopology(cbit.vcell.model.Model.StructureTopology)
ReactionSpec(cbit.vcell.mapping.ReactionSpec)
FastInvariant(cbit.vcell.math.FastInvariant)
PropertyVetoException(java.beans.PropertyVetoException)
VCUnitDefinition(cbit.vcell.units.VCUnitDefinition)
FastSystem(cbit.vcell.math.FastSystem)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
ReactionStep(cbit.vcell.model.ReactionStep)
MembraneRegionEquation(cbit.vcell.math.MembraneRegionEquation)
SurfaceClass(cbit.vcell.geometry.SurfaceClass)
VariableHash(cbit.vcell.math.VariableHash)
StructureMapping(cbit.vcell.mapping.StructureMapping)
FeatureMapping(cbit.vcell.mapping.FeatureMapping)
Structure(cbit.vcell.model.Structure)
ModelUnitSystem(cbit.vcell.model.ModelUnitSystem)
Hashtable(java.util.Hashtable)
StructureMappingParameter(cbit.vcell.mapping.StructureMapping.StructureMappingParameter)
Expression(cbit.vcell.parser.Expression)
Model(cbit.vcell.model.Model)
ProxyParameter(cbit.vcell.model.ProxyParameter)
StructureMappingParameter(cbit.vcell.mapping.StructureMapping.StructureMappingParameter)
Parameter(cbit.vcell.model.Parameter)
KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter)
SpeciesContextSpecProxyParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecProxyParameter)
LocalParameter(cbit.vcell.mapping.ParameterContext.LocalParameter)
ModelParameter(cbit.vcell.model.Model.ModelParameter)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
BioEvent(cbit.vcell.mapping.BioEvent)
Event(cbit.vcell.math.Event)
BioEvent(cbit.vcell.mapping.BioEvent)
MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable)
MathDescription(cbit.vcell.math.MathDescription)
SpeciesContextMapping(cbit.vcell.mapping.SpeciesContextMapping)
SpeciesContextSpec(cbit.vcell.mapping.SpeciesContextSpec)
ExpressionException(cbit.vcell.parser.ExpressionException)
Delay(cbit.vcell.math.Event.Delay)
MappingException(cbit.vcell.mapping.MappingException)
PropertyVetoException(java.beans.PropertyVetoException)
PdeEquation(cbit.vcell.math.PdeEquation)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
SubDomain(cbit.vcell.math.SubDomain)
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
Species(cbit.vcell.model.Species)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
EventAssignment(cbit.vcell.mapping.BioEvent.EventAssignment)
VolVariable(cbit.vcell.math.VolVariable)
ModelParameter(cbit.vcell.model.Model.ModelParameter)
OdeEquation(cbit.vcell.math.OdeEquation)
JumpCondition(cbit.vcell.math.JumpCondition)
MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable)
VolVariable(cbit.vcell.math.VolVariable)
MemVariable(cbit.vcell.math.MemVariable)
Variable(cbit.vcell.math.Variable)
SpeciesContextSpecProxyParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecProxyParameter)
Constant(cbit.vcell.math.Constant)
SymbolTableEntry(cbit.vcell.parser.SymbolTableEntry)
Membrane(cbit.vcell.model.Membrane)
EventAssignment(cbit.vcell.mapping.BioEvent.EventAssignment)
OdeEquation(cbit.vcell.math.OdeEquation)
MembraneRegionEquation(cbit.vcell.math.MembraneRegionEquation)
PdeEquation(cbit.vcell.math.PdeEquation)
Equation(cbit.vcell.math.Equation)
FastRate(cbit.vcell.math.FastRate)
Example 8 with MembraneSubDomain
use of cbit.vcell.math.MembraneSubDomain in project vcell by virtualcell.
the class SimulationData method getVarAndFunctionDataIdentifiers.
/**
* This method was created in VisualAge.
* @return java.lang.String[]
*/
public synchronized DataIdentifier[] getVarAndFunctionDataIdentifiers(OutputContext outputContext) throws IOException, DataAccessException {
// Is this zip format?
boolean bIsChombo = false;
try {
bIsChombo = isChombo();
} catch (FileNotFoundException e) {
e.printStackTrace(System.out);
}
File zipFile1 = getZipFile(bIsChombo, null);
File zipFile2 = getZipFile(bIsChombo, 0);
bZipFormat1 = false;
bZipFormat2 = false;
if (zipFile1.exists()) {
bZipFormat1 = true;
} else if (zipFile2.exists()) {
bZipFormat2 = true;
}
refreshLogFile();
boolean bIsComsol = false;
try {
bIsComsol = isComsol();
} catch (FileNotFoundException e) {
e.printStackTrace(System.out);
}
if (!bIsComsol) {
try {
refreshMeshFile();
} catch (MathException e) {
e.printStackTrace(System.out);
throw new DataAccessException(e.getMessage());
}
}
if (!isRulesData && !getIsODEData() && !bIsComsol && dataFilenames != null) {
// read variables only when I have never read the file since variables don't change
if (dataSetIdentifierList.size() == 0) {
File file = getPDEDataFile(0.0);
DataSet dataSet = getPDEDataSet(file, 0.0);
String[] varNames = dataSet.getDataNames();
int[] varTypeInts = dataSet.getVariableTypeIntegers();
if (varNames == null) {
return null;
}
dataSetIdentifierList.clear();
for (int i = 0; i < varNames.length; i++) {
VariableType varType = null;
try {
varType = VariableType.getVariableTypeFromInteger(varTypeInts[i]);
} catch (IllegalArgumentException e) {
if (LG.isWarnEnabled()) {
LG.warn("Exception typing " + varNames[i] + " has unsupported type " + varTypeInts[i] + ": " + e.getMessage());
}
varType = SimulationData.getVariableTypeFromLength(mesh, dataSet.getDataLength(varNames[i]));
}
Domain domain = Variable.getDomainFromCombinedIdentifier(varNames[i]);
String varName = Variable.getNameFromCombinedIdentifier(varNames[i]);
dataSetIdentifierList.addElement(new DataSetIdentifier(varName, varType, domain));
}
refreshDataProcessingOutputInfo(outputContext);
if (dataProcessingOutputInfo != null) {
for (int i = 0; i < dataProcessingOutputInfo.getVariableNames().length; i++) {
if (dataProcessingOutputInfo.getPostProcessDataType(dataProcessingOutputInfo.getVariableNames()[i]).equals(DataProcessingOutputInfo.PostProcessDataType.image)) {
dataSetIdentifierList.addElement(new DataSetIdentifier(dataProcessingOutputInfo.getVariableNames()[i], VariableType.POSTPROCESSING, null));
}
}
}
}
// always read functions file since functions might change
getFunctionDataIdentifiers(outputContext);
}
if ((isRulesData || getIsODEData()) && dataSetIdentifierList.size() == 0) {
ODEDataBlock odeDataBlock = getODEDataBlock();
if (odeDataBlock == null) {
throw new DataAccessException("Results are not availabe yet. Please try again later.");
}
ODESimData odeSimData = odeDataBlock.getODESimData();
int colCount = odeSimData.getColumnDescriptionsCount();
// assume index=0 is time "t"
int DATA_OFFSET = 1;
dataSetIdentifierList.clear();
for (int i = 0; i < (colCount - DATA_OFFSET); i++) {
String varName = odeSimData.getColumnDescriptions(i + DATA_OFFSET).getDisplayName();
// TODO domain
Domain domain = null;
dataSetIdentifierList.addElement(new DataSetIdentifier(varName, VariableType.NONSPATIAL, domain));
}
}
if (bIsComsol && dataSetIdentifierList.size() == 0) {
ComsolSimFiles comsolSimFiles = getComsolSimFiles();
if (comsolSimFiles.simTaskXMLFile != null) {
try {
String xmlString = FileUtils.readFileToString(comsolSimFiles.simTaskXMLFile);
SimulationTask simTask = XmlHelper.XMLToSimTask(xmlString);
Enumeration<Variable> variablesEnum = simTask.getSimulation().getMathDescription().getVariables();
while (variablesEnum.hasMoreElements()) {
Variable var = variablesEnum.nextElement();
if (var instanceof VolVariable) {
dataSetIdentifierList.addElement(new DataSetIdentifier(var.getName(), VariableType.VOLUME, var.getDomain()));
} else if (var instanceof MemVariable) {
dataSetIdentifierList.addElement(new DataSetIdentifier(var.getName(), VariableType.MEMBRANE, var.getDomain()));
} else if (var instanceof Function) {
VariableType varType = VariableType.UNKNOWN;
if (var.getDomain() != null && var.getDomain().getName() != null) {
SubDomain subDomain = simTask.getSimulation().getMathDescription().getSubDomain(var.getDomain().getName());
if (subDomain instanceof CompartmentSubDomain) {
varType = VariableType.VOLUME;
} else if (subDomain instanceof MembraneSubDomain) {
varType = VariableType.MEMBRANE;
} else if (subDomain instanceof FilamentSubDomain) {
throw new RuntimeException("filament subdomains not supported");
} else if (subDomain instanceof PointSubDomain) {
varType = VariableType.POINT_VARIABLE;
}
}
dataSetIdentifierList.addElement(new DataSetIdentifier(var.getName(), varType, var.getDomain()));
} else if (var instanceof Constant) {
System.out.println("ignoring Constant " + var.getName());
} else if (var instanceof InsideVariable) {
System.out.println("ignoring InsideVariable " + var.getName());
} else if (var instanceof OutsideVariable) {
System.out.println("ignoring OutsideVariable " + var.getName());
} else {
throw new RuntimeException("unexpected variable " + var.getName() + " of type " + var.getClass().getName());
}
}
} catch (XmlParseException | ExpressionException e) {
e.printStackTrace();
throw new RuntimeException("failed to read sim task file, msg: " + e.getMessage(), e);
}
}
}
DataIdentifier[] dis = new DataIdentifier[dataSetIdentifierList.size()];
for (int i = 0; i < dataSetIdentifierList.size(); i++) {
DataSetIdentifier dsi = (DataSetIdentifier) dataSetIdentifierList.elementAt(i);
String displayName = dsi.getName();
if (dsi.isFunction()) {
AnnotatedFunction f = null;
for (int j = 0; j < annotatedFunctionList.size(); j++) {
AnnotatedFunction function = (AnnotatedFunction) annotatedFunctionList.elementAt(j);
if (function.getName().equals(dsi.getName())) {
f = function;
break;
}
}
if (f != null) {
displayName = f.getDisplayName();
}
}
dis[i] = new DataIdentifier(dsi.getName(), dsi.getVariableType(), dsi.getDomain(), dsi.isFunction(), displayName);
}
return dis;
}
Also used :
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
SimulationTask(cbit.vcell.messaging.server.SimulationTask)
InsideVariable(cbit.vcell.math.InsideVariable)
VolVariable(cbit.vcell.math.VolVariable)
ReservedVariable(cbit.vcell.math.ReservedVariable)
MemVariable(cbit.vcell.math.MemVariable)
OutsideVariable(cbit.vcell.math.OutsideVariable)
Variable(cbit.vcell.math.Variable)
VCDataIdentifier(org.vcell.util.document.VCDataIdentifier)
VCSimulationDataIdentifier(cbit.vcell.solver.VCSimulationDataIdentifier)
ExternalDataIdentifier(org.vcell.util.document.ExternalDataIdentifier)
Constant(cbit.vcell.math.Constant)
FileNotFoundException(java.io.FileNotFoundException)
PointSubDomain(cbit.vcell.math.PointSubDomain)
ODESimData(cbit.vcell.solver.ode.ODESimData)
InsideVariable(cbit.vcell.math.InsideVariable)
ExpressionException(cbit.vcell.parser.ExpressionException)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
FilamentSubDomain(cbit.vcell.math.FilamentSubDomain)
SubDomain(cbit.vcell.math.SubDomain)
PointSubDomain(cbit.vcell.math.PointSubDomain)
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
Function(cbit.vcell.math.Function)
AnnotatedFunction(cbit.vcell.solver.AnnotatedFunction)
MemVariable(cbit.vcell.math.MemVariable)
DataAccessException(org.vcell.util.DataAccessException)
AnnotatedFunction(cbit.vcell.solver.AnnotatedFunction)
ComsolSimFiles(org.vcell.vis.io.ComsolSimFiles)
VariableType(cbit.vcell.math.VariableType)
VolVariable(cbit.vcell.math.VolVariable)
XmlParseException(cbit.vcell.xml.XmlParseException)
FilamentSubDomain(cbit.vcell.math.FilamentSubDomain)
MathException(cbit.vcell.math.MathException)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
OutsideVariable(cbit.vcell.math.OutsideVariable)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
FilamentSubDomain(cbit.vcell.math.FilamentSubDomain)
SubDomain(cbit.vcell.math.SubDomain)
PointSubDomain(cbit.vcell.math.PointSubDomain)
Domain(cbit.vcell.math.Variable.Domain)
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
ZipFile(org.apache.commons.compress.archivers.zip.ZipFile)
File(java.io.File)
Example 9 with MembraneSubDomain
use of cbit.vcell.math.MembraneSubDomain in project vcell by virtualcell.
the class SmoldynFileWriter method writeInitialCount.
private int writeInitialCount(ParticleInitialConditionCount initialCount, SubDomain subDomain, String variableName, StringBuilder sb) throws ExpressionException, MathException {
int count = 0;
try {
count = (int) subsituteFlattenToConstant(initialCount.getCount());
} catch (NotAConstantException ex) {
String errMsg = "\n" + "Initial count for variable " + variableName + " is not a constant. Spatial stochastic simulation requires constant value for initial count.\n" + "If you want to set variable initial condition as a function of time or space, please select application ->specifications ->species and choose initial condition to 'Concentration'.";
throw new ExpressionException(errMsg);
}
if (count > 0) {
final boolean isCompartment = subDomain instanceof CompartmentSubDomain;
if (initialCount.isUniform()) {
// here count has to split between all compartments
if (isCompartment) {
sb.append(SmoldynVCellMapper.SmoldynKeyword.compartment_mol);
sb.append(" " + count + " " + variableName + " " + subDomain.getName() + "\n");
} else if (subDomain instanceof MembraneSubDomain) {
sb.append(SmoldynVCellMapper.SmoldynKeyword.surface_mol);
sb.append(" " + count + " " + variableName + " " + subDomain.getName() + " " + SmoldynVCellMapper.SmoldynKeyword.all + " " + SmoldynVCellMapper.SmoldynKeyword.all + "\n");
}
} else {
if (isCompartment) {
sb.append(SmoldynVCellMapper.SmoldynKeyword.mol + " " + count + " " + variableName);
if (lg.isDebugEnabled()) {
lg.debug("initial count for compartment " + subDomain.getName() + ' ' + variableName + " is " + count);
}
try {
if (initialCount.isXUniform()) {
sb.append(" " + initialCount.getLocationX().infix());
} else {
double locX = subsituteFlattenToConstant(initialCount.getLocationX());
sb.append(" " + locX);
}
if (dimension > 1) {
if (initialCount.isYUniform()) {
sb.append(" " + initialCount.getLocationY().infix());
} else {
double locY = subsituteFlattenToConstant(initialCount.getLocationY());
sb.append(" " + locY);
}
if (dimension > 2) {
if (initialCount.isZUniform()) {
sb.append(" " + initialCount.getLocationZ().infix());
} else {
double locZ = subsituteFlattenToConstant(initialCount.getLocationZ());
sb.append(" " + locZ);
}
}
}
} catch (NotAConstantException ex) {
throw new ExpressionException("location for variable " + variableName + " is not a constant. Constants are required for all locations");
}
sb.append('\n');
} else if (subDomain instanceof MembraneSubDomain) {
// closestTriangles should have been allocated in setupMolecules if this condition exists
for (ClosestTriangle ct : closestTriangles) {
if (ct.picc == initialCount) {
VCAssert.assertTrue(ct.membrane == subDomain, "wrong subdomain");
final char space = ' ';
sb.append(SmoldynVCellMapper.SmoldynKeyword.surface_mol);
sb.append(space);
sb.append(count);
sb.append(space);
sb.append(variableName);
sb.append(space);
sb.append(subDomain.getName());
// pshape, always triangle for us
sb.append(" tri ");
sb.append(ct.triPanel.name);
sb.append(space);
sb.append(ct.node.getX());
if (dimension > 1) {
sb.append(space);
sb.append(ct.node.getY());
}
if (dimension > 2) {
sb.append(space);
sb.append(ct.node.getZ());
}
sb.append('\n');
if (lg.isDebugEnabled()) {
lg.debug("initial count for " + subDomain.getName() + ' ' + variableName + " is " + count);
}
return count;
}
}
throw new ProgrammingException("unable to find " + variableName + " in closest triangles");
}
}
}
return count;
}
Also used :
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
ProgrammingException(org.vcell.util.ProgrammingException)
ExpressionException(cbit.vcell.parser.ExpressionException)
Example 10 with MembraneSubDomain
use of cbit.vcell.math.MembraneSubDomain in project vcell by virtualcell.
the class SmoldynFileWriter method writeSurfaces.
private void writeSurfaces() throws SolverException, ImageException, PropertyVetoException, GeometryException, ExpressionException {
GeometrySurfaceDescription geometrySurfaceDescription = resampledGeometry.getGeometrySurfaceDescription();
SurfaceClass[] surfaceClasses = geometrySurfaceDescription.getSurfaceClasses();
GeometrySpec geometrySpec = resampledGeometry.getGeometrySpec();
SubVolume[] surfaceGeometrySubVolumes = geometrySpec.getSubVolumes();
GeometricRegion[] AllGeometricRegions = resampledGeometry.getGeometrySurfaceDescription().getGeometricRegions();
ArrayList<SurfaceGeometricRegion> surfaceRegionList = new ArrayList<SurfaceGeometricRegion>();
ArrayList<VolumeGeometricRegion> volumeRegionList = new ArrayList<VolumeGeometricRegion>();
for (GeometricRegion geometricRegion : AllGeometricRegions) {
if (geometricRegion instanceof SurfaceGeometricRegion) {
surfaceRegionList.add((SurfaceGeometricRegion) geometricRegion);
} else if (geometricRegion instanceof VolumeGeometricRegion) {
volumeRegionList.add((VolumeGeometricRegion) geometricRegion);
} else {
throw new SolverException("unsupported geometric region type " + geometricRegion.getClass());
}
}
printWriter.println("# geometry");
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.dim + " " + dimension);
if (bHasNoSurface) {
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.max_compartment + " " + surfaceGeometrySubVolumes.length);
} else {
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.max_compartment + " " + (surfaceGeometrySubVolumes.length + 1));
// plus the surface which are bounding walls
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.max_surface + " " + (surfaceClasses.length + dimension));
}
printWriter.println();
// write boundaries and wall surfaces
writeWallSurfaces();
// for 3D ... smoldyn normal convension is triangle right-hand-rule normal points to the outside compartment subdomain.
if (!bHasNoSurface) {
membraneSubdomainTriangleMap = new HashMap<MembraneSubDomain, ArrayList<TrianglePanel>>();
// write surfaces
printWriter.println("# surfaces");
int triangleGlobalCount = 0;
int membraneIndex = -1;
SurfaceCollection surfaceCollection = geometrySurfaceDescription.getSurfaceCollection();
// pre-allocate collections used repeatedly in following loops; clear before reusing
HashMap<Node, Set<String>> nodeTriMap = new HashMap<>();
ArrayList<TrianglePanel> triList = new ArrayList<TrianglePanel>();
// use a sorted set to ensure neighbors written out is same order for reproducibility
SortedSet<String> neighborsForCurrentNode = new TreeSet<String>();
for (int sci = 0; sci < surfaceClasses.length; sci++) {
nodeTriMap.clear();
triList.clear();
int triLocalCount = 0;
SurfaceClass surfaceClass = surfaceClasses[sci];
GeometricRegion[] geometricRegions = geometrySurfaceDescription.getGeometricRegions(surfaceClass);
for (GeometricRegion gr : geometricRegions) {
SurfaceGeometricRegion sgr = (SurfaceGeometricRegion) gr;
VolumeGeometricRegion volRegion0 = (VolumeGeometricRegion) sgr.getAdjacentGeometricRegions()[0];
VolumeGeometricRegion volRegion1 = (VolumeGeometricRegion) sgr.getAdjacentGeometricRegions()[1];
SubVolume subVolume0 = volRegion0.getSubVolume();
SubVolume subVolume1 = volRegion1.getSubVolume();
CompartmentSubDomain compart0 = mathDesc.getCompartmentSubDomain(subVolume0.getName());
CompartmentSubDomain compart1 = mathDesc.getCompartmentSubDomain(subVolume1.getName());
MembraneSubDomain membraneSubDomain = mathDesc.getMembraneSubDomain(compart0, compart1);
if (membraneSubDomain == null) {
throw new SolverException(VCellErrorMessages.getSmoldynUnexpectedSurface(compart0, compart1));
}
int exteriorRegionID = volRegion0.getRegionID();
int interiorRegionID = volRegion1.getRegionID();
if (membraneSubDomain.getInsideCompartment() == compart0) {
exteriorRegionID = volRegion1.getRegionID();
interiorRegionID = volRegion0.getRegionID();
}
for (int j = 0; j < surfaceCollection.getSurfaceCount(); j++) {
Surface surface = surfaceCollection.getSurfaces(j);
if ((surface.getInteriorRegionIndex() == exteriorRegionID && surface.getExteriorRegionIndex() == interiorRegionID) || (surface.getInteriorRegionIndex() == interiorRegionID && surface.getExteriorRegionIndex() == exteriorRegionID)) {
// Polygon polygon = surface.getPolygons(k);
for (Polygon polygon : surface) {
if (polygonMembaneElementMap != null) {
membraneIndex = polygonMembaneElementMap.get(polygon).getMembraneIndex();
}
Node[] nodes = polygon.getNodes();
if (dimension == 2) {
// ignore z
Vect3d unitNormal = new Vect3d();
polygon.getUnitNormal(unitNormal);
unitNormal.set(unitNormal.getX(), unitNormal.getY(), 0);
int point0 = 0;
Vect3d v0 = new Vect3d(nodes[point0].getX(), nodes[point0].getY(), 0);
int point1 = 1;
Vect3d v1 = null;
for (point1 = 1; point1 < nodes.length; point1++) {
if (v0.getX() != nodes[point1].getX() || v0.getY() != nodes[point1].getY()) {
v1 = new Vect3d(nodes[point1].getX(), nodes[point1].getY(), 0);
break;
}
}
if (v1 == null) {
throw new RuntimeException("failed to generate surface");
}
Vect3d v01 = Vect3d.sub(v1, v0);
Vect3d unit01n = v01.cross(unitNormal);
unit01n.unit();
if (Math.abs(unit01n.getZ() - 1.0) < 1e-6) {
// v0 to v1 opposes vcell surface normal. it's already flipped.
Triangle triangle;
if (surface.getInteriorRegionIndex() == interiorRegionID) {
// we have to flipped it back
triangle = new Triangle(nodes[point1], nodes[point0], null);
} else {
triangle = new Triangle(nodes[point0], nodes[point1], null);
}
triList.add(new TrianglePanel(triLocalCount++, triangleGlobalCount++, membraneIndex, triangle));
} else if (Math.abs(unit01n.getZ() + 1.0) < 1e-6) {
// v0 to v1 is in direction of vcell surface normal.
Triangle triangle;
if (surface.getInteriorRegionIndex() == interiorRegionID) {
triangle = new Triangle(nodes[point0], nodes[point1], null);
} else {
triangle = new Triangle(nodes[point1], nodes[point0], null);
}
triList.add(new TrianglePanel(triLocalCount++, triangleGlobalCount++, membraneIndex, triangle));
} else {
throw new RuntimeException("failed to generate surface");
}
} else if (dimension == 3) {
Triangle triangle1;
Triangle triangle2;
if (surface.getInteriorRegionIndex() == interiorRegionID) {
// interior
triangle1 = new Triangle(nodes[0], nodes[1], nodes[2]);
triangle2 = new Triangle(nodes[0], nodes[2], nodes[3]);
} else {
triangle1 = new Triangle(nodes[2], nodes[1], nodes[0]);
triangle2 = new Triangle(nodes[3], nodes[2], nodes[0]);
}
triList.add(new TrianglePanel(triLocalCount++, triangleGlobalCount++, membraneIndex, triangle1));
triList.add(new TrianglePanel(triLocalCount++, triangleGlobalCount++, membraneIndex, triangle2));
}
}
}
}
}
// add triangles to node hash
for (TrianglePanel triPanel : triList) {
for (Node node : triPanel.triangle.getNodes()) {
if (node == null) {
continue;
}
Set<String> triNameSet = nodeTriMap.get(node);
if (triNameSet == null) {
triNameSet = new HashSet<String>();
nodeTriMap.put(node, triNameSet);
}
triNameSet.add(triPanel.name);
}
}
SubVolume[] adjacentSubvolums = surfaceClass.getAdjacentSubvolumes().toArray(new SubVolume[0]);
CompartmentSubDomain csd0 = simulation.getMathDescription().getCompartmentSubDomain(adjacentSubvolums[0].getName());
CompartmentSubDomain csd1 = simulation.getMathDescription().getCompartmentSubDomain(adjacentSubvolums[1].getName());
MembraneSubDomain membraneSubDomain = simulation.getMathDescription().getMembraneSubDomain(csd0, csd1);
membraneSubdomainTriangleMap.put(membraneSubDomain, triList);
final boolean initialMoleculesOnMembrane = (closestTriangles != null);
if (initialMoleculesOnMembrane) {
findClosestTriangles(membraneSubDomain, triList);
}
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.start_surface + " " + surfaceClass.getName());
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.action + " " + SmoldynVCellMapper.SmoldynKeyword.all + "(" + SmoldynVCellMapper.SmoldynKeyword.all + ") " + SmoldynVCellMapper.SmoldynKeyword.both + " " + SmoldynVCellMapper.SmoldynKeyword.reflect);
// printWriter.println(SmoldynKeyword.action + " " + SmoldynKeyword.all + "(" + SmoldynKeyword.up + ") " + SmoldynKeyword.both + " " + SmoldynKeyword.reflect);
// get color after species
Color c = colors[sci + particleVariableList.size()];
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.color + " " + SmoldynVCellMapper.SmoldynKeyword.both + " " + c.getRed() / 255.0 + " " + c.getGreen() / 255.0 + " " + c.getBlue() / 255.0 + " 0.1");
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.polygon + " " + SmoldynVCellMapper.SmoldynKeyword.front + " " + SmoldynVCellMapper.SmoldynKeyword.edge);
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.polygon + " " + SmoldynVCellMapper.SmoldynKeyword.back + " " + SmoldynVCellMapper.SmoldynKeyword.edge);
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.max_panels + " " + SmoldynVCellMapper.SmoldynKeyword.tri + " " + triList.size());
for (TrianglePanel trianglePanel : triList) {
Triangle triangle = trianglePanel.triangle;
printWriter.print(SmoldynVCellMapper.SmoldynKeyword.panel + " " + SmoldynVCellMapper.SmoldynKeyword.tri);
switch(dimension) {
case 1:
printWriter.print(" " + triangle.getNodes(0).getX());
break;
case 2:
printWriter.print(" " + triangle.getNodes(0).getX() + " " + triangle.getNodes(0).getY());
printWriter.print(" " + triangle.getNodes(1).getX() + " " + triangle.getNodes(1).getY());
break;
case 3:
for (Node node : triangle.getNodes()) {
printWriter.print(" " + node.getX() + " " + node.getY() + " " + node.getZ());
}
break;
}
printWriter.println(" " + trianglePanel.name);
}
for (TrianglePanel triPanel : triList) {
neighborsForCurrentNode.clear();
for (Node node : triPanel.triangle.getNodes()) {
if (node == null) {
continue;
}
neighborsForCurrentNode.addAll(nodeTriMap.get(node));
}
neighborsForCurrentNode.remove(triPanel.name);
// printWriter.print(SmoldynKeyword.neighbors + " " +triPanel.name);
// to allow smoldyn read line length as 256, chop the neighbors to multiple lines
int maxNeighborCount = 4;
//
int count = 0;
for (String neigh : neighborsForCurrentNode) {
if (count % maxNeighborCount == 0) {
printWriter.println();
printWriter.print(SmoldynVCellMapper.SmoldynKeyword.neighbors + " " + triPanel.name);
}
printWriter.print(" " + neigh);
count++;
}
}
printWriter.println();
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.end_surface);
printWriter.println();
}
// write compartment
// printWriter.println("# bounding wall compartment");
// printWriter.println(SmoldynKeyword.start_compartment + " " + VCellSmoldynKeyword.bounding_wall_compartment);
// printWriter.println(SmoldynKeyword.surface + " " + VCellSmoldynKeyword.bounding_wall_surface_X);
// if (dimension > 1) {
// printWriter.println(SmoldynKeyword.surface + " " + VCellSmoldynKeyword.bounding_wall_surface_Y);
// if (dimension > 2) {
// printWriter.println(SmoldynKeyword.surface + " " + VCellSmoldynKeyword.bounding_wall_surface_Z);
// }
// }
// printWriter.println(SmoldynKeyword.end_compartment);
// printWriter.println();
}
}
Also used :
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
Set(java.util.Set)
TreeSet(java.util.TreeSet)
SortedSet(java.util.SortedSet)
DataSet(cbit.vcell.simdata.DataSet)
HashSet(java.util.HashSet)
GeometrySurfaceDescription(cbit.vcell.geometry.surface.GeometrySurfaceDescription)
SurfaceClass(cbit.vcell.geometry.SurfaceClass)
HashMap(java.util.HashMap)
Node(cbit.vcell.geometry.surface.Node)
ArrayList(java.util.ArrayList)
Triangle(cbit.vcell.geometry.surface.Triangle)
Surface(cbit.vcell.geometry.surface.Surface)
GeometrySpec(cbit.vcell.geometry.GeometrySpec)
SubVolume(cbit.vcell.geometry.SubVolume)
TreeSet(java.util.TreeSet)
Polygon(cbit.vcell.geometry.surface.Polygon)
SurfaceGeometricRegion(cbit.vcell.geometry.surface.SurfaceGeometricRegion)
SurfaceCollection(cbit.vcell.geometry.surface.SurfaceCollection)
Color(java.awt.Color)
VolumeGeometricRegion(cbit.vcell.geometry.surface.VolumeGeometricRegion)
SurfaceGeometricRegion(cbit.vcell.geometry.surface.SurfaceGeometricRegion)
VolumeGeometricRegion(cbit.vcell.geometry.surface.VolumeGeometricRegion)
GeometricRegion(cbit.vcell.geometry.surface.GeometricRegion)
Vect3d(cbit.vcell.render.Vect3d)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
SolverException(cbit.vcell.solver.SolverException)
Aggregations
MembraneSubDomain (cbit.vcell.math.MembraneSubDomain)31
CompartmentSubDomain (cbit.vcell.math.CompartmentSubDomain)26
SubDomain (cbit.vcell.math.SubDomain)21
Expression (cbit.vcell.parser.Expression)13
ArrayList (java.util.ArrayList)13
MathDescription (cbit.vcell.math.MathDescription)12
SubVolume (cbit.vcell.geometry.SubVolume)10
ExpressionException (cbit.vcell.parser.ExpressionException)10
Variable (cbit.vcell.math.Variable)9
SurfaceClass (cbit.vcell.geometry.SurfaceClass)8
Constant (cbit.vcell.math.Constant)7
Equation (cbit.vcell.math.Equation)7
MathException (cbit.vcell.math.MathException)7
OdeEquation (cbit.vcell.math.OdeEquation)7
JumpCondition (cbit.vcell.math.JumpCondition)6
ParticleProperties (cbit.vcell.math.ParticleProperties)6
HashMap (java.util.HashMap)6
AnalyticSubVolume (cbit.vcell.geometry.AnalyticSubVolume)5
Function (cbit.vcell.math.Function)5
MemVariable (cbit.vcell.math.MemVariable)5
