Example 1 with ParticleInitialConditionConcentration
use of cbit.vcell.math.ParticleProperties.ParticleInitialConditionConcentration in project vcell by virtualcell.
the class SmoldynFileWriter method writeMolecules.
private void writeMolecules() throws ExpressionException, MathException {
// write molecules
StringBuilder sb = new StringBuilder();
int max_mol = 0;
Enumeration<SubDomain> subDomainEnumeration = mathDesc.getSubDomains();
while (subDomainEnumeration.hasMoreElements()) {
SubDomain subDomain = subDomainEnumeration.nextElement();
for (ParticleProperties particleProperties : subDomain.getParticleProperties()) {
ArrayList<ParticleInitialCondition> particleInitialConditions = particleProperties.getParticleInitialConditions();
String variableName = getVariableName(particleProperties.getVariable(), subDomain);
for (ParticleInitialCondition pic : particleInitialConditions) {
if (pic instanceof ParticleInitialConditionCount) {
max_mol += writeInitialCount((ParticleInitialConditionCount) pic, subDomain, variableName, sb);
} else if (pic instanceof ParticleInitialConditionConcentration) {
max_mol += writeInitialConcentration((ParticleInitialConditionConcentration) pic, subDomain, particleProperties.getVariable(), variableName, sb);
}
}
if (lg.isDebugEnabled()) {
lg.debug("subdomain " + subDomain.getName() + ' ' + variableName + " processed, maximum mol estimate now " + max_mol);
}
}
}
if (max_mol > MAX_MOLECULE_LIMIT) {
throw new MathException(VCellErrorMessages.getSmoldynMaxMolReachedErrorMessage((long) max_mol, MAX_MOLECULE_LIMIT));
}
int max_adjusted = max_mol * MOLECULE_MAX_COEFFICIENT;
if (max_adjusted < MIN_MOLECULE_LIMIT) {
if (lg.isInfoEnabled()) {
lg.info("adjusting computed max " + max_adjusted + " to minimum " + MIN_MOLECULE_LIMIT);
}
max_adjusted = MIN_MOLECULE_LIMIT;
}
if (max_adjusted > MAX_MOLECULE_LIMIT) {
if (lg.isInfoEnabled()) {
lg.info("adjusting computed max " + max_adjusted + " to maximum " + MAX_MOLECULE_LIMIT);
}
max_adjusted = MAX_MOLECULE_LIMIT;
}
printWriter.println("# molecules");
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.max_mol + " " + max_adjusted);
printWriter.println(sb);
}
Also used :
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
SubDomain(cbit.vcell.math.SubDomain)
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
ParticleInitialConditionConcentration(cbit.vcell.math.ParticleProperties.ParticleInitialConditionConcentration)
ParticleInitialCondition(cbit.vcell.math.ParticleProperties.ParticleInitialCondition)
MathException(cbit.vcell.math.MathException)
ParticleProperties(cbit.vcell.math.ParticleProperties)
ParticleInitialConditionCount(cbit.vcell.math.ParticleProperties.ParticleInitialConditionCount)
Example 2 with ParticleInitialConditionConcentration
use of cbit.vcell.math.ParticleProperties.ParticleInitialConditionConcentration in project vcell by virtualcell.
the class XmlReader method getParticleProperties.
private ParticleProperties getParticleProperties(Element param, MathDescription mathDesc) throws XmlParseException {
// Retrieve the variable reference
String name = unMangle(param.getAttributeValue(XMLTags.NameAttrTag));
Variable varref = mathDesc.getVariable(name);
if (varref == null) {
throw new XmlParseException("The variable " + name + " for a PdeEquation, could not be resolved!");
}
ArrayList<ParticleInitialCondition> initialConditions = new ArrayList<ParticleInitialCondition>();
Iterator<Element> iterator = param.getChildren(XMLTags.ParticleInitialCountTag, vcNamespace).iterator();
while (iterator.hasNext()) {
Element tempelement = (Element) iterator.next();
initialConditions.add(getParticleInitialConditionCount(tempelement));
}
iterator = param.getChildren(XMLTags.ParticleInitialCountTag_old, vcNamespace).iterator();
while (iterator.hasNext()) {
Element tempelement = (Element) iterator.next();
initialConditions.add(getParticleInitialConditionCount(tempelement));
}
iterator = param.getChildren(XMLTags.ParticleInitialConcentrationTag, vcNamespace).iterator();
while (iterator.hasNext()) {
Element tempelement = (Element) iterator.next();
String temp = tempelement.getChildText(XMLTags.ParticleDistributionTag, vcNamespace);
Expression distExp = null;
if (temp != null && temp.length() > 0) {
distExp = unMangleExpression(temp);
}
initialConditions.add(new ParticleInitialConditionConcentration(distExp));
}
String temp = param.getChildText(XMLTags.ParticleDiffusionTag, vcNamespace);
Expression diffExp = null;
if (temp != null && temp.length() > 0) {
diffExp = unMangleExpression(temp);
}
String driftXString = param.getChildText(XMLTags.ParticleDriftXTag, vcNamespace);
Expression driftXExp = null;
if (driftXString != null && driftXString.length() > 0) {
driftXExp = unMangleExpression(driftXString);
}
String driftYString = param.getChildText(XMLTags.ParticleDriftYTag, vcNamespace);
Expression driftYExp = null;
if (driftYString != null && driftYString.length() > 0) {
driftYExp = unMangleExpression(driftYString);
}
String driftZString = param.getChildText(XMLTags.ParticleDriftZTag, vcNamespace);
Expression driftZExp = null;
if (driftZString != null && driftZString.length() > 0) {
driftZExp = unMangleExpression(driftZString);
}
return new ParticleProperties(varref, diffExp, driftXExp, driftYExp, driftZExp, initialConditions);
}
Also used :
FilamentVariable(cbit.vcell.math.FilamentVariable)
OutsideVariable(cbit.vcell.math.OutsideVariable)
StochVolVariable(cbit.vcell.math.StochVolVariable)
RandomVariable(cbit.vcell.math.RandomVariable)
VolumeRandomVariable(cbit.vcell.math.VolumeRandomVariable)
VolumeParticleVariable(cbit.vcell.math.VolumeParticleVariable)
VolumeRegionVariable(cbit.vcell.math.VolumeRegionVariable)
InsideVariable(cbit.vcell.math.InsideVariable)
VolVariable(cbit.vcell.math.VolVariable)
MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable)
PointVariable(cbit.vcell.math.PointVariable)
MembraneRandomVariable(cbit.vcell.math.MembraneRandomVariable)
MembraneParticleVariable(cbit.vcell.math.MembraneParticleVariable)
ParticleVariable(cbit.vcell.math.ParticleVariable)
MemVariable(cbit.vcell.math.MemVariable)
FilamentRegionVariable(cbit.vcell.math.FilamentRegionVariable)
Variable(cbit.vcell.math.Variable)
ParticleInitialConditionConcentration(cbit.vcell.math.ParticleProperties.ParticleInitialConditionConcentration)
Expression(cbit.vcell.parser.Expression)
ParticleInitialCondition(cbit.vcell.math.ParticleProperties.ParticleInitialCondition)
Element(org.jdom.Element)
ArrayList(java.util.ArrayList)
ParticleProperties(cbit.vcell.math.ParticleProperties)
Example 3 with ParticleInitialConditionConcentration
use of cbit.vcell.math.ParticleProperties.ParticleInitialConditionConcentration in project vcell by virtualcell.
the class ParticleMathMapping method refreshMathDescription.
/**
* This method was created in VisualAge.
*/
private void refreshMathDescription() throws MappingException, MatrixException, MathException, ExpressionException, ModelException {
getSimulationContext().checkValidity();
if (getSimulationContext().getGeometry().getDimension() == 0) {
throw new MappingException("particle math mapping requires spatial geometry - dimension >= 1");
}
StructureMapping[] structureMappings = getSimulationContext().getGeometryContext().getStructureMappings();
for (int i = 0; i < structureMappings.length; i++) {
if (structureMappings[i] instanceof MembraneMapping) {
if (((MembraneMapping) structureMappings[i]).getCalculateVoltage()) {
throw new MappingException("electric potential not yet supported for particle models");
}
}
}
//
// fail if any events
//
BioEvent[] bioEvents = getSimulationContext().getBioEvents();
if (bioEvents != null && bioEvents.length > 0) {
throw new MappingException("events not yet supported for particle-based models");
}
//
// gather only those reactionSteps that are not "excluded"
//
ReactionSpec[] reactionSpecs = getSimulationContext().getReactionContext().getReactionSpecs();
Vector<ReactionStep> rsList = new Vector<ReactionStep>();
for (int i = 0; i < reactionSpecs.length; i++) {
if (reactionSpecs[i].isExcluded() == false) {
if (reactionSpecs[i].isFast()) {
throw new MappingException("fast reactions not supported for particle models");
}
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);
}
}
//
// temporarily place all variables in a hashtable (before binding) and discarding duplicates (check for equality)
//
VariableHash varHash = new VariableHash();
// //
// // verify that all structures are mapped to geometry classes and all geometry classes are mapped to a structure
// //
// Structure structures[] = getSimulationContext().getGeometryContext().getModel().getStructures();
// for (int i = 0; i < structures.length; i++){
// StructureMapping sm = getSimulationContext().getGeometryContext().getStructureMapping(structures[i]);
// if (sm==null || (sm.getGeometryClass() == null)){
// throw new MappingException("model structure '"+structures[i].getName()+"' not mapped to a geometry subdomain");
// }
// if (sm.getUnitSizeParameter()!=null){
// Expression unitSizeExp = sm.getUnitSizeParameter().getExpression();
// if(unitSizeExp != null)
// {
// try {
// double unitSize = unitSizeExp.evaluateConstant();
// if (unitSize != 1.0){
// throw new MappingException("model structure '"+sm.getStructure().getName()+"' unit size = "+unitSize+" != 1.0 ... partial volume or surface mapping not yet supported for particles");
// }
// }catch (ExpressionException e){
// e.printStackTrace(System.out);
// throw new MappingException("couldn't evaluate unit size for model structure '"+sm.getStructure().getName()+"' : "+e.getMessage());
// }
// }
// }
// }
// {
// GeometryClass[] geometryClass = getSimulationContext().getGeometryContext().getGeometry().getGeometryClasses();
// for (int i = 0; i < geometryClass.length; i++){
// Structure[] mappedStructures = getSimulationContext().getGeometryContext().getStructuresFromGeometryClass(geometryClass[i]);
// if (mappedStructures==null || mappedStructures.length==0){
// throw new MappingException("geometryClass '"+geometryClass[i].getName()+"' not mapped from a model structure");
// }
// }
// }
// deals with model parameters
Model model = getSimulationContext().getModel();
ModelUnitSystem modelUnitSystem = model.getUnitSystem();
ModelParameter[] modelParameters = model.getModelParameters();
// populate in globalParameterVariants hashtable
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));
}
//
// create new MathDescription (based on simContext's previous MathDescription if possible)
//
MathDescription oldMathDesc = getSimulationContext().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(getSimulationContext().getName() + "_generated");
}
//
// volume particle variables
//
Enumeration<SpeciesContextMapping> enum1 = getSpeciesContextMappings();
while (enum1.hasMoreElements()) {
SpeciesContextMapping scm = enum1.nextElement();
if (scm.getVariable() instanceof ParticleVariable) {
if (!(mathDesc.getVariable(scm.getVariable().getName()) instanceof ParticleVariable)) {
varHash.addVariable(scm.getVariable());
}
}
}
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(getSimulationContext().getTemperatureKelvin()), model.getTEMPERATURE().getUnitDefinition(), null)));
//
for (int j = 0; j < structureMappings.length; j++) {
if (structureMappings[j] instanceof MembraneMapping) {
MembraneMapping membraneMapping = (MembraneMapping) structureMappings[j];
GeometryClass geometryClass = membraneMapping.getGeometryClass();
//
// 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);
varHash.addVariable(newFunctionOrConstant(getMathSymbol(membraneMapping.getMembrane().getMembraneVoltage(), membraneMapping.getGeometryClass()), getIdentifierSubstitutions(membraneMapping.getInitialVoltageParameter().getExpression(), membraneMapping.getInitialVoltageParameter().getUnitDefinition(), membraneMapping.getGeometryClass()), membraneMapping.getGeometryClass()));
}
}
//
for (int j = 0; j < reactionSteps.length; j++) {
ReactionStep rs = reactionSteps[j];
if (getSimulationContext().getReactionContext().getReactionSpec(rs).isExcluded()) {
continue;
}
Kinetics.KineticsParameter[] parameters = rs.getKinetics().getKineticsParameters();
GeometryClass geometryClass = null;
if (rs.getStructure() != null) {
geometryClass = getSimulationContext().getGeometryContext().getStructureMapping(rs.getStructure()).getGeometryClass();
}
if (parameters != null) {
for (int i = 0; i < parameters.length; i++) {
// Reaction rate, currentDensity, LumpedCurrent and null parameters are not going to displayed in the particle math description.
if (((parameters[i].getRole() == Kinetics.ROLE_CurrentDensity) || (parameters[i].getRole() == Kinetics.ROLE_LumpedCurrent) || (parameters[i].getRole() == Kinetics.ROLE_ReactionRate)) || (parameters[i].getExpression() == null)) {
continue;
}
varHash.addVariable(newFunctionOrConstant(getMathSymbol(parameters[i], geometryClass), getIdentifierSubstitutions(parameters[i].getExpression(), parameters[i].getUnitDefinition(), geometryClass), geometryClass));
}
}
}
//
// initial constants (either function or constant)
//
SpeciesContextSpec[] speciesContextSpecs = getSimulationContext().getReactionContext().getSpeciesContextSpecs();
for (int i = 0; i < speciesContextSpecs.length; i++) {
SpeciesContextSpecParameter initParm = null;
Expression initExpr = null;
if (getSimulationContext().isUsingConcentration()) {
initParm = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration);
initExpr = new Expression(initParm.getExpression());
// if (speciesContextSpecs[i].getSpeciesContext().getStructure() instanceof Feature) {
// initExpr = Expression.div(initExpr, new Expression(model.getKMOLE, getNameScope())).flatten();
// }
} else {
initParm = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_InitialCount);
initExpr = new Expression(initParm.getExpression());
}
if (initExpr != null) {
StructureMapping sm = getSimulationContext().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 = getSimulationContext().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.getGeometryClass()), getIdentifierSubstitutions(initExpr, initParm.getUnitDefinition(), sm.getGeometryClass()), sm.getGeometryClass()));
}
}
//
for (int i = 0; i < speciesContextSpecs.length; i++) {
SpeciesContextSpec.SpeciesContextSpecParameter diffParm = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_DiffusionRate);
if (diffParm != null) {
StructureMapping sm = getSimulationContext().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 = getSimulationContext().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 = getSimulationContext().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(getMathSymbol(model.getKMOLE(), null), getIdentifierSubstitutions(model.getKMOLE().getExpression(), model.getKMOLE().getUnitDefinition(), null)));
varHash.addVariable(new Constant(getMathSymbol(model.getN_PMOLE(), null), getIdentifierSubstitutions(model.getN_PMOLE().getExpression(), model.getN_PMOLE().getUnitDefinition(), null)));
varHash.addVariable(new Constant(getMathSymbol(model.getKMILLIVOLTS(), null), getIdentifierSubstitutions(model.getKMILLIVOLTS().getExpression(), model.getKMILLIVOLTS().getUnitDefinition(), null)));
varHash.addVariable(new Constant(getMathSymbol(model.getK_GHK(), null), getIdentifierSubstitutions(model.getK_GHK().getExpression(), model.getK_GHK().getUnitDefinition(), null)));
//
for (int i = 0; i < structureMappings.length; i++) {
StructureMapping sm = structureMappings[i];
if (getSimulationContext().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()));
}
}
}
//
// functions
//
enum1 = getSpeciesContextMappings();
while (enum1.hasMoreElements()) {
SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
if (scm.getVariable() == null && scm.getDependencyExpression() != null) {
StructureMapping sm = getSimulationContext().getGeometryContext().getStructureMapping(scm.getSpeciesContext().getStructure());
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);
}
}
//
for (int i = 0; i < fieldMathMappingParameters.length; i++) {
if (fieldMathMappingParameters[i] instanceof UnitFactorParameter) {
GeometryClass geometryClass = fieldMathMappingParameters[i].getGeometryClass();
varHash.addVariable(newFunctionOrConstant(getMathSymbol(fieldMathMappingParameters[i], geometryClass), getIdentifierSubstitutions(fieldMathMappingParameters[i].getExpression(), fieldMathMappingParameters[i].getUnitDefinition(), geometryClass), fieldMathMappingParameters[i].getGeometryClass()));
}
}
//
// set Variables to MathDescription all at once with the order resolved by "VariableHash"
//
mathDesc.setAllVariables(varHash.getAlphabeticallyOrderedVariables());
//
if (getSimulationContext().getGeometryContext().getGeometry() != null) {
try {
mathDesc.setGeometry(getSimulationContext().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");
}
//
// create subdomains (volume and surfaces)
//
GeometryClass[] geometryClasses = getSimulationContext().getGeometryContext().getGeometry().getGeometryClasses();
for (int k = 0; k < geometryClasses.length; k++) {
if (geometryClasses[k] instanceof SubVolume) {
SubVolume subVolume = (SubVolume) geometryClasses[k];
//
// get priority of subDomain
//
// now does not have to match spatial feature, *BUT* needs to be unique
int priority = k;
//
// create subDomain
//
CompartmentSubDomain subDomain = new CompartmentSubDomain(subVolume.getName(), priority);
mathDesc.addSubDomain(subDomain);
//
// assign boundary condition types
//
StructureMapping[] mappedSMs = getSimulationContext().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) {
subDomain.setBoundaryConditionXm(mappedFM.getBoundaryConditionTypeXm());
subDomain.setBoundaryConditionXp(mappedFM.getBoundaryConditionTypeXp());
if (getSimulationContext().getGeometry().getDimension() > 1) {
subDomain.setBoundaryConditionYm(mappedFM.getBoundaryConditionTypeYm());
subDomain.setBoundaryConditionYp(mappedFM.getBoundaryConditionTypeYp());
}
if (getSimulationContext().getGeometry().getDimension() > 2) {
subDomain.setBoundaryConditionZm(mappedFM.getBoundaryConditionTypeZm());
subDomain.setBoundaryConditionZp(mappedFM.getBoundaryConditionTypeZp());
}
}
} else if (geometryClasses[k] instanceof SurfaceClass) {
SurfaceClass surfaceClass = (SurfaceClass) geometryClasses[k];
// determine membrane inside and outside subvolume
// this preserves backward compatibility so that membrane subdomain
// inside and outside correspond to structure hierarchy when present
Pair<SubVolume, SubVolume> ret = DiffEquMathMapping.computeBoundaryConditionSource(model, simContext, surfaceClass);
SubVolume innerSubVolume = ret.one;
SubVolume outerSubVolume = ret.two;
//
// create subDomain
//
CompartmentSubDomain outerCompartment = mathDesc.getCompartmentSubDomain(outerSubVolume.getName());
CompartmentSubDomain innerCompartment = mathDesc.getCompartmentSubDomain(innerSubVolume.getName());
MembraneSubDomain memSubDomain = new MembraneSubDomain(innerCompartment, outerCompartment, surfaceClass.getName());
mathDesc.addSubDomain(memSubDomain);
}
}
//
// create Particle Contexts for all Particle Variables
//
Enumeration<SpeciesContextMapping> enumSCM = getSpeciesContextMappings();
Expression unitFactor = getUnitFactor(modelUnitSystem.getStochasticSubstanceUnit().divideBy(modelUnitSystem.getVolumeSubstanceUnit()));
while (enumSCM.hasMoreElements()) {
SpeciesContextMapping scm = enumSCM.nextElement();
SpeciesContext sc = scm.getSpeciesContext();
StructureMapping sm = getSimulationContext().getGeometryContext().getStructureMapping(sc.getStructure());
SpeciesContextSpec scs = getSimulationContext().getReactionContext().getSpeciesContextSpec(sc);
if (scm.getVariable() instanceof ParticleVariable && scm.getDependencyExpression() == null) {
ParticleVariable particleVariable = (ParticleVariable) scm.getVariable();
//
// initial distribution of particles
//
ArrayList<ParticleInitialCondition> particleInitialConditions = new ArrayList<ParticleInitialCondition>();
ParticleInitialCondition pic = null;
if (getSimulationContext().isUsingConcentration()) {
Expression initialDistribution = scs.getInitialConcentrationParameter().getExpression() == null ? null : new Expression(getMathSymbol(scs.getInitialConcentrationParameter(), sm.getGeometryClass()));
if (particleVariable instanceof VolumeParticleVariable) {
initialDistribution = Expression.mult(initialDistribution, unitFactor);
}
pic = new ParticleInitialConditionConcentration(initialDistribution);
} else {
Expression initialCount = scs.getInitialCountParameter().getExpression() == null ? null : new Expression(getMathSymbol(scs.getInitialCountParameter(), sm.getGeometryClass()));
if (initialCount == null) {
throw new MappingException("initialCount not defined for speciesContext " + scs.getSpeciesContext().getName());
}
Expression locationX = new Expression("u");
Expression locationY = new Expression("u");
Expression locationZ = new Expression("u");
pic = new ParticleInitialConditionCount(initialCount, locationX, locationY, locationZ);
}
particleInitialConditions.add(pic);
//
// diffusion
//
Expression diffusion = new Expression(getMathSymbol(scs.getDiffusionParameter(), sm.getGeometryClass()));
Expression driftXExp = null;
if (scs.getVelocityXParameter().getExpression() != null) {
driftXExp = 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(sm.getGeometryClass()).length;
if (velX_quantities.length == 1 && numRegions == 1) {
driftXExp = new Expression(getMathSymbol(velX_quantities[0], sm.getGeometryClass()));
} else {
throw new MappingException("multiple advection velocities enabled set for multiple volume domains ");
}
}
}
Expression driftYExp = null;
if (scs.getVelocityYParameter().getExpression() != null) {
driftYExp = 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(sm.getGeometryClass()).length;
if (velY_quantities.length == 1 && numRegions == 1) {
driftYExp = new Expression(getMathSymbol(velY_quantities[0], sm.getGeometryClass()));
} else {
throw new MappingException("multiple advection velocities enabled set for multiple volume domains ");
}
}
}
Expression driftZExp = null;
if (scs.getVelocityZParameter().getExpression() != null) {
driftZExp = 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(sm.getGeometryClass()).length;
if (velZ_quantities.length == 1 && numRegions == 1) {
driftZExp = new Expression(getMathSymbol(velZ_quantities[0], sm.getGeometryClass()));
} else {
throw new MappingException("multiple advection velocities enabled set for multiple volume domains ");
}
}
}
ParticleProperties particleProperties = new ParticleProperties(particleVariable, diffusion, driftXExp, driftYExp, driftZExp, particleInitialConditions);
GeometryClass myGC = sm.getGeometryClass();
if (myGC == null) {
throw new MappingException("Application '" + getSimulationContext().getName() + "'\nGeometry->StructureMapping->(" + sm.getStructure().getTypeName() + ")'" + sm.getStructure().getName() + "' must be mapped to geometry domain.\n(see 'Problems' tab)");
}
SubDomain subDomain = mathDesc.getSubDomain(myGC.getName());
subDomain.addParticleProperties(particleProperties);
}
}
for (ReactionStep reactionStep : reactionSteps) {
Kinetics kinetics = reactionStep.getKinetics();
StructureMapping sm = getSimulationContext().getGeometryContext().getStructureMapping(reactionStep.getStructure());
GeometryClass reactionStepGeometryClass = sm.getGeometryClass();
SubDomain subdomain = mathDesc.getSubDomain(reactionStepGeometryClass.getName());
KineticsParameter reactionRateParameter = null;
if (kinetics instanceof LumpedKinetics) {
reactionRateParameter = ((LumpedKinetics) kinetics).getLumpedReactionRateParameter();
} else {
reactionRateParameter = ((DistributedKinetics) kinetics).getReactionRateParameter();
}
// macroscopic_irreversible/Microscopic_irreversible for bimolecular membrane reactions. They will NOT go through MassAction solver.
if (kinetics.getKineticsDescription().equals(KineticsDescription.Macroscopic_irreversible) || kinetics.getKineticsDescription().equals(KineticsDescription.Microscopic_irreversible)) {
Expression radiusExp = getIdentifierSubstitutions(reactionStep.getKinetics().getKineticsParameterFromRole(Kinetics.ROLE_Binding_Radius).getExpression(), modelUnitSystem.getBindingRadiusUnit(), reactionStepGeometryClass);
if (radiusExp != null) {
Expression expCopy = new Expression(radiusExp);
try {
MassActionSolver.substituteParameters(expCopy, true).evaluateConstant();
} catch (ExpressionException e) {
throw new MathException(VCellErrorMessages.getMassActionSolverMessage(reactionStep.getName(), "Problem in binding radius of " + reactionStep.getName() + ": '" + radiusExp.infix() + "', " + e.getMessage()));
}
} else {
throw new MathException(VCellErrorMessages.getMassActionSolverMessage(reactionStep.getName(), "Binding radius of " + reactionStep.getName() + " is null."));
}
List<ParticleVariable> reactantParticles = new ArrayList<ParticleVariable>();
List<ParticleVariable> productParticles = new ArrayList<ParticleVariable>();
List<Action> forwardActions = new ArrayList<Action>();
for (ReactionParticipant rp : reactionStep.getReactionParticipants()) {
SpeciesContext sc = rp.getSpeciesContext();
SpeciesContextSpec scs = getSimulationContext().getReactionContext().getSpeciesContextSpec(sc);
GeometryClass scGeometryClass = getSimulationContext().getGeometryContext().getStructureMapping(sc.getStructure()).getGeometryClass();
String varName = getMathSymbol(sc, scGeometryClass);
Variable var = mathDesc.getVariable(varName);
if (var instanceof ParticleVariable) {
ParticleVariable particle = (ParticleVariable) var;
if (rp instanceof Reactant) {
reactantParticles.add(particle);
if (!scs.isConstant() && !scs.isForceContinuous()) {
for (int i = 0; i < Math.abs(rp.getStoichiometry()); i++) {
if (radiusExp != null) {
forwardActions.add(Action.createDestroyAction(particle));
}
}
}
} else if (rp instanceof Product) {
productParticles.add(particle);
if (!scs.isConstant() && !scs.isForceContinuous()) {
for (int i = 0; i < Math.abs(rp.getStoichiometry()); i++) {
if (radiusExp != null) {
forwardActions.add(Action.createCreateAction(particle));
}
}
}
}
} else {
throw new MappingException("particle variable '" + varName + "' not found");
}
}
JumpProcessRateDefinition bindingRadius = new InteractionRadius(radiusExp);
// get jump process name
String jpName = TokenMangler.mangleToSName(reactionStep.getName());
// only for NFSim/Rules for now.
ProcessSymmetryFactor processSymmetryFactor = null;
if (forwardActions.size() > 0) {
ParticleJumpProcess forwardProcess = new ParticleJumpProcess(jpName, reactantParticles, bindingRadius, forwardActions, processSymmetryFactor);
subdomain.addParticleJumpProcess(forwardProcess);
}
} else // other type of reactions
{
/* check the reaction rate law to see if we need to decompose a reaction(reversible) into two jump processes.
rate constants are important in calculating the probability rate.
for Mass Action, we use KForward and KReverse,
for General Kinetics we parse reaction rate J to see if it is in Mass Action form.
*/
Expression forwardRate = null;
Expression reverseRate = null;
// Using the MassActionFunction to write out the math description
MassActionSolver.MassActionFunction maFunc = null;
if (kinetics.getKineticsDescription().equals(KineticsDescription.MassAction) || kinetics.getKineticsDescription().equals(KineticsDescription.General) || kinetics.getKineticsDescription().equals(KineticsDescription.GeneralPermeability)) {
Expression rateExp = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_ReactionRate).getExpression();
Parameter forwardRateParameter = null;
Parameter reverseRateParameter = null;
if (kinetics.getKineticsDescription().equals(KineticsDescription.MassAction)) {
forwardRateParameter = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_KForward);
reverseRateParameter = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_KReverse);
} else if (kinetics.getKineticsDescription().equals(KineticsDescription.GeneralPermeability)) {
forwardRateParameter = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_Permeability);
reverseRateParameter = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_Permeability);
}
maFunc = MassActionSolver.solveMassAction(forwardRateParameter, reverseRateParameter, rateExp, reactionStep);
if (maFunc.getForwardRate() == null && maFunc.getReverseRate() == null) {
throw new MappingException("Cannot generate stochastic math mapping for the reaction:" + reactionStep.getName() + "\nLooking for the rate function according to the form of k1*Reactant1^Stoir1*Reactant2^Stoir2...-k2*Product1^Stoip1*Product2^Stoip2.");
} else {
if (maFunc.getForwardRate() != null) {
forwardRate = maFunc.getForwardRate();
}
if (maFunc.getReverseRate() != null) {
reverseRate = maFunc.getReverseRate();
}
}
}
if (maFunc != null) {
// if the reaction has forward rate (Mass action,HMMs), or don't have either forward or reverse rate (some other rate laws--like general)
// we process it as forward reaction
List<ParticleVariable> reactantParticles = new ArrayList<ParticleVariable>();
List<ParticleVariable> productParticles = new ArrayList<ParticleVariable>();
List<Action> forwardActions = new ArrayList<Action>();
List<Action> reverseActions = new ArrayList<Action>();
List<ReactionParticipant> reactants = maFunc.getReactants();
List<ReactionParticipant> products = maFunc.getProducts();
for (ReactionParticipant rp : reactants) {
SpeciesContext sc = rp.getSpeciesContext();
SpeciesContextSpec scs = getSimulationContext().getReactionContext().getSpeciesContextSpec(sc);
GeometryClass scGeometryClass = getSimulationContext().getGeometryContext().getStructureMapping(sc.getStructure()).getGeometryClass();
String varName = getMathSymbol(sc, scGeometryClass);
Variable var = mathDesc.getVariable(varName);
if (var instanceof ParticleVariable) {
ParticleVariable particle = (ParticleVariable) var;
reactantParticles.add(particle);
if (!scs.isConstant() && !scs.isForceContinuous()) {
for (int i = 0; i < Math.abs(rp.getStoichiometry()); i++) {
if (forwardRate != null) {
forwardActions.add(Action.createDestroyAction(particle));
}
if (reverseRate != null) {
reverseActions.add(Action.createCreateAction(particle));
}
}
}
} else {
throw new MappingException("particle variable '" + varName + "' not found");
}
}
for (ReactionParticipant rp : products) {
SpeciesContext sc = rp.getSpeciesContext();
SpeciesContextSpec scs = getSimulationContext().getReactionContext().getSpeciesContextSpec(sc);
GeometryClass scGeometryClass = getSimulationContext().getGeometryContext().getStructureMapping(sc.getStructure()).getGeometryClass();
String varName = getMathSymbol(sc, scGeometryClass);
Variable var = mathDesc.getVariable(varName);
if (var instanceof ParticleVariable) {
ParticleVariable particle = (ParticleVariable) var;
productParticles.add(particle);
if (!scs.isConstant() && !scs.isForceContinuous()) {
for (int i = 0; i < Math.abs(rp.getStoichiometry()); i++) {
if (forwardRate != null) {
forwardActions.add(Action.createCreateAction(particle));
}
if (reverseRate != null) {
reverseActions.add(Action.createDestroyAction(particle));
}
}
}
} else {
throw new MappingException("particle variable '" + varName + "' not found");
}
}
//
// There are two unit conversions required:
//
// 1) convert entire reaction rate from vcell reaction units to Smoldyn units (molecules/lengthunit^dim/timeunit)
// (where dim is 2 for membrane reactions and 3 for volume reactions)
//
// for forward rates:
// 2) convert each reactant from Smoldyn units (molecules/lengthunit^dim) to VCell units
// (where dim is 2 for membrane reactants and 3 for volume reactants)
//
// or
//
// for reverse rates:
// 2) convert each product from Smoldyn units (molecules/lengthunit^dim) to VCell units
// (where dim is 2 for membrane products and 3 for volume products)
//
RationalNumber reactionLocationDim = new RationalNumber(reactionStep.getStructure().getDimension());
VCUnitDefinition timeUnit = modelUnitSystem.getTimeUnit();
VCUnitDefinition smoldynReactionSizeUnit = modelUnitSystem.getLengthUnit().raiseTo(reactionLocationDim);
VCUnitDefinition smoldynSubstanceUnit = modelUnitSystem.getStochasticSubstanceUnit();
VCUnitDefinition smoldynReactionRateUnit = smoldynSubstanceUnit.divideBy(smoldynReactionSizeUnit).divideBy(timeUnit);
VCUnitDefinition vcellReactionRateUnit = reactionRateParameter.getUnitDefinition();
VCUnitDefinition reactionUnitFactor = smoldynReactionRateUnit.divideBy(vcellReactionRateUnit);
if (forwardRate != null) {
VCUnitDefinition smoldynReactantsUnit = modelUnitSystem.getInstance_DIMENSIONLESS();
// start with factor to translate entire reaction rate.
VCUnitDefinition forwardUnitFactor = reactionUnitFactor;
//
for (ReactionParticipant reactant : maFunc.getReactants()) {
VCUnitDefinition vcellReactantUnit = reactant.getSpeciesContext().getUnitDefinition();
boolean bForceContinuous = simContext.getReactionContext().getSpeciesContextSpec(reactant.getSpeciesContext()).isForceContinuous();
VCUnitDefinition smoldynReactantUnit = null;
if (bForceContinuous) {
// reactant is continuous (vcell units)
smoldynReactantUnit = reactant.getSpeciesContext().getUnitDefinition();
} else {
// reactant is a particle (smoldyn units)
RationalNumber reactantLocationDim = new RationalNumber(reactant.getStructure().getDimension());
VCUnitDefinition smoldynReactantSize = modelUnitSystem.getLengthUnit().raiseTo(reactantLocationDim);
smoldynReactantUnit = smoldynSubstanceUnit.divideBy(smoldynReactantSize);
}
// keep track of units of all reactants
smoldynReactantsUnit = smoldynReactantsUnit.multiplyBy(smoldynReactantUnit);
RationalNumber reactantStoichiometry = new RationalNumber(reactant.getStoichiometry());
VCUnitDefinition reactantUnitFactor = (vcellReactantUnit.divideBy(smoldynReactantUnit)).raiseTo(reactantStoichiometry);
// accumulate unit factors for all reactants
forwardUnitFactor = forwardUnitFactor.multiplyBy(reactantUnitFactor);
}
forwardRate = Expression.mult(forwardRate, getUnitFactor(forwardUnitFactor));
VCUnitDefinition smoldynExpectedForwardRateUnit = smoldynReactionRateUnit.divideBy(smoldynReactantsUnit);
// get probability
Expression exp = getIdentifierSubstitutions(forwardRate, smoldynExpectedForwardRateUnit, reactionStepGeometryClass).flatten();
JumpProcessRateDefinition partRateDef = new MacroscopicRateConstant(exp);
// create particle jump process
String jpName = TokenMangler.mangleToSName(reactionStep.getName());
// only for NFSim/Rules for now.
ProcessSymmetryFactor processSymmetryFactor = null;
if (forwardActions.size() > 0) {
ParticleJumpProcess forwardProcess = new ParticleJumpProcess(jpName, reactantParticles, partRateDef, forwardActions, processSymmetryFactor);
subdomain.addParticleJumpProcess(forwardProcess);
}
}
// end of forward rate not null
if (reverseRate != null) {
VCUnitDefinition smoldynProductsUnit = modelUnitSystem.getInstance_DIMENSIONLESS();
// start with factor to translate entire reaction rate.
VCUnitDefinition reverseUnitFactor = reactionUnitFactor;
//
for (ReactionParticipant product : maFunc.getProducts()) {
VCUnitDefinition vcellProductUnit = product.getSpeciesContext().getUnitDefinition();
boolean bForceContinuous = simContext.getReactionContext().getSpeciesContextSpec(product.getSpeciesContext()).isForceContinuous();
VCUnitDefinition smoldynProductUnit = null;
if (bForceContinuous) {
smoldynProductUnit = product.getSpeciesContext().getUnitDefinition();
} else {
RationalNumber productLocationDim = new RationalNumber(product.getStructure().getDimension());
VCUnitDefinition smoldynProductSize = modelUnitSystem.getLengthUnit().raiseTo(productLocationDim);
smoldynProductUnit = smoldynSubstanceUnit.divideBy(smoldynProductSize);
}
// keep track of units of all products
smoldynProductsUnit = smoldynProductsUnit.multiplyBy(smoldynProductUnit);
RationalNumber productStoichiometry = new RationalNumber(product.getStoichiometry());
VCUnitDefinition productUnitFactor = (vcellProductUnit.divideBy(smoldynProductUnit)).raiseTo(productStoichiometry);
// accumulate unit factors for all products
reverseUnitFactor = reverseUnitFactor.multiplyBy(productUnitFactor);
}
reverseRate = Expression.mult(reverseRate, getUnitFactor(reverseUnitFactor));
VCUnitDefinition smoldynExpectedReverseRateUnit = smoldynReactionRateUnit.divideBy(smoldynProductsUnit);
// get probability
Expression exp = getIdentifierSubstitutions(reverseRate, smoldynExpectedReverseRateUnit, reactionStepGeometryClass).flatten();
JumpProcessRateDefinition partProbRate = new MacroscopicRateConstant(exp);
// get jump process name
String jpName = TokenMangler.mangleToSName(reactionStep.getName() + "_reverse");
// only for NFSim/Rules for now.
ProcessSymmetryFactor processSymmetryFactor = null;
if (reverseActions.size() > 0) {
ParticleJumpProcess reverseProcess = new ParticleJumpProcess(jpName, productParticles, partProbRate, reverseActions, processSymmetryFactor);
subdomain.addParticleJumpProcess(reverseProcess);
}
}
// end of reverse rate not null
}
// end of maFunc not null
}
// end of reaction step for loop
}
//
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()) {
lg.warn(mathDesc.getVCML_database());
throw new MappingException("generated an invalid mathDescription: " + mathDesc.getWarning());
}
if (lg.isDebugEnabled()) {
System.out.println("]]]]]]]]]]]]]]]]]]]]]] VCML string begin ]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]");
System.out.println(mathDesc.getVCML());
System.out.println("]]]]]]]]]]]]]]]]]]]]]] VCML string end ]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]");
}
}
Also used :
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
LumpedKinetics(cbit.vcell.model.LumpedKinetics)
MathDescription(cbit.vcell.math.MathDescription)
ArrayList(java.util.ArrayList)
Product(cbit.vcell.model.Product)
SpeciesContext(cbit.vcell.model.SpeciesContext)
StructureMappingParameter(cbit.vcell.mapping.StructureMapping.StructureMappingParameter)
Reactant(cbit.vcell.model.Reactant)
ExpressionException(cbit.vcell.parser.ExpressionException)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
SubDomain(cbit.vcell.math.SubDomain)
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter)
SubVolume(cbit.vcell.geometry.SubVolume)
Vector(java.util.Vector)
SpatialQuantity(cbit.vcell.mapping.spatial.SpatialObject.SpatialQuantity)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
JumpProcessRateDefinition(cbit.vcell.math.JumpProcessRateDefinition)
InteractionRadius(cbit.vcell.math.InteractionRadius)
ParticleJumpProcess(cbit.vcell.math.ParticleJumpProcess)
ModelParameter(cbit.vcell.model.Model.ModelParameter)
VCUnitDefinition(cbit.vcell.units.VCUnitDefinition)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
ParticleInitialCondition(cbit.vcell.math.ParticleProperties.ParticleInitialCondition)
ReactionStep(cbit.vcell.model.ReactionStep)
ParticleProperties(cbit.vcell.math.ParticleProperties)
Kinetics(cbit.vcell.model.Kinetics)
DistributedKinetics(cbit.vcell.model.DistributedKinetics)
LumpedKinetics(cbit.vcell.model.LumpedKinetics)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
SubDomain(cbit.vcell.math.SubDomain)
Domain(cbit.vcell.math.Variable.Domain)
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
ReactionParticipant(cbit.vcell.model.ReactionParticipant)
GeometryClass(cbit.vcell.geometry.GeometryClass)
Action(cbit.vcell.math.Action)
VolumeParticleVariable(cbit.vcell.math.VolumeParticleVariable)
MembraneParticleVariable(cbit.vcell.math.MembraneParticleVariable)
ParticleVariable(cbit.vcell.math.ParticleVariable)
Variable(cbit.vcell.math.Variable)
SpeciesContextSpecProxyParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecProxyParameter)
SurfaceClass(cbit.vcell.geometry.SurfaceClass)
VariableHash(cbit.vcell.math.VariableHash)
VolumeParticleVariable(cbit.vcell.math.VolumeParticleVariable)
MembraneParticleVariable(cbit.vcell.math.MembraneParticleVariable)
ParticleVariable(cbit.vcell.math.ParticleVariable)
MacroscopicRateConstant(cbit.vcell.math.MacroscopicRateConstant)
Constant(cbit.vcell.math.Constant)
SymbolTableEntry(cbit.vcell.parser.SymbolTableEntry)
MacroscopicRateConstant(cbit.vcell.math.MacroscopicRateConstant)
RationalNumber(ucar.units_vcell.RationalNumber)
ModelUnitSystem(cbit.vcell.model.ModelUnitSystem)
Pair(org.vcell.util.Pair)
ParticleInitialConditionConcentration(cbit.vcell.math.ParticleProperties.ParticleInitialConditionConcentration)
ProcessSymmetryFactor(cbit.vcell.math.ParticleJumpProcess.ProcessSymmetryFactor)
Expression(cbit.vcell.parser.Expression)
VolumeParticleVariable(cbit.vcell.math.VolumeParticleVariable)
MathException(cbit.vcell.math.MathException)
Model(cbit.vcell.model.Model)
StructureMappingParameter(cbit.vcell.mapping.StructureMapping.StructureMappingParameter)
Parameter(cbit.vcell.model.Parameter)
KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter)
SpeciesContextSpecProxyParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecProxyParameter)
ModelParameter(cbit.vcell.model.Model.ModelParameter)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
MassActionSolver(cbit.vcell.model.MassActionSolver)
ParticleInitialConditionCount(cbit.vcell.math.ParticleProperties.ParticleInitialConditionCount)
Example 4 with ParticleInitialConditionConcentration
use of cbit.vcell.math.ParticleProperties.ParticleInitialConditionConcentration in project vcell by virtualcell.
the class Xmlproducer method getXML.
private org.jdom.Element getXML(ParticleProperties param) throws XmlParseException {
org.jdom.Element particleProperties = new org.jdom.Element(XMLTags.ParticlePropertiesTag);
particleProperties.setAttribute(XMLTags.NameAttrTag, mangle(param.getVariable().getName()));
for (ParticleInitialCondition pic : param.getParticleInitialConditions()) {
org.jdom.Element particleInitial = null;
if (pic instanceof ParticleInitialConditionCount) {
particleInitial = new org.jdom.Element(XMLTags.ParticleInitialCountTag);
ParticleInitialConditionCount ppic = (ParticleInitialConditionCount) pic;
Element e = new Element(XMLTags.ParticleCountTag);
e.setText(mangleExpression(ppic.getCount()));
particleInitial.addContent(e);
if (ppic.getLocationX() != null) {
e = new Element(XMLTags.ParticleLocationXTag);
e.setText(mangleExpression(ppic.getLocationX()));
particleInitial.addContent(e);
}
if (ppic.getLocationY() != null) {
e = new Element(XMLTags.ParticleLocationYTag);
e.setText(mangleExpression(ppic.getLocationY()));
particleInitial.addContent(e);
}
if (ppic.getLocationZ() != null) {
e = new Element(XMLTags.ParticleLocationZTag);
e.setText(mangleExpression(ppic.getLocationZ()));
particleInitial.addContent(e);
}
} else if (pic instanceof ParticleInitialConditionConcentration) {
particleInitial = new org.jdom.Element(XMLTags.ParticleInitialConcentrationTag);
ParticleInitialConditionConcentration ppic = (ParticleInitialConditionConcentration) pic;
Element e = new Element(XMLTags.ParticleDistributionTag);
e.setText(mangleExpression(ppic.getDistribution()));
particleInitial.addContent(e);
}
particleProperties.addContent(particleInitial);
}
Element diff = new Element(XMLTags.ParticleDiffusionTag);
diff.setText(mangleExpression(param.getDiffusion()));
particleProperties.addContent(diff);
if (param.getDriftX() != null) {
Element driftX = new Element(XMLTags.ParticleDriftXTag);
driftX.setText(mangleExpression(param.getDriftX()));
particleProperties.addContent(driftX);
}
if (param.getDriftY() != null) {
Element driftY = new Element(XMLTags.ParticleDriftYTag);
driftY.setText(mangleExpression(param.getDriftY()));
particleProperties.addContent(driftY);
}
if (param.getDriftZ() != null) {
Element driftZ = new Element(XMLTags.ParticleDriftZTag);
driftZ.setText(mangleExpression(param.getDriftZ()));
particleProperties.addContent(driftZ);
}
return particleProperties;
}
Also used :
ParticleInitialConditionConcentration(cbit.vcell.math.ParticleProperties.ParticleInitialConditionConcentration)
ParticleInitialCondition(cbit.vcell.math.ParticleProperties.ParticleInitialCondition)
Element(org.jdom.Element)
ParticleInitialConditionCount(cbit.vcell.math.ParticleProperties.ParticleInitialConditionCount)
Element(org.jdom.Element)
Example 5 with ParticleInitialConditionConcentration
use of cbit.vcell.math.ParticleProperties.ParticleInitialConditionConcentration in project vcell by virtualcell.
the class SmoldynFileWriter method writeRuntimeCommands.
// uncomment for debug
/*private void writeGraphicsLegend() throws MathException{
try {
java.awt.image.BufferedImage cmapImage = new java.awt.image.BufferedImage(200, particleVariableList.size()*30,java.awt.image.BufferedImage.TYPE_INT_RGB);
Graphics g = cmapImage.getGraphics();
for (int i = 0; i < particleVariableList.size(); i ++) {
Color c = colors[i];
System.out.println("color for legend: " + "red--"+ c.getRed() + " green--" + c.getGreen() + " blue--" + c.getBlue());
String variableName = getVariableName(particleVariableList.get(i),null);
g.setColor(c);
g.drawString(variableName, 5, 30*i + 20);
g.fillRect(105, 30*i + 10, 20, 10);
}
g.dispose();
File tmpFile = File.createTempFile("legend", ".jpg");
FileOutputStream fios = null;
try {
printWriter.println("# legend file: " + tmpFile.getAbsolutePath());
fios = new FileOutputStream(tmpFile);
ImageIO.write(cmapImage,"jpg",fios);
} finally {
if(fios != null) {fios.close();}
}
} catch (Exception e) {
e.printStackTrace();
throw new MathException(e.getMessage());
}
}*/
private void writeRuntimeCommands() throws SolverException, DivideByZeroException, DataAccessException, IOException, MathException, ExpressionException {
printWriter.println("# " + SmoldynVCellMapper.SmoldynKeyword.killmolincmpt + " runtime command to kill molecules misplaced during initial condtions");
for (ParticleVariable pv : particleVariableList) {
CompartmentSubDomain varDomain = mathDesc.getCompartmentSubDomain(pv.getDomain().getName());
if (varDomain == null) {
continue;
}
boolean bkillMol = false;
ArrayList<ParticleInitialCondition> iniConditionList = varDomain.getParticleProperties(pv).getParticleInitialConditions();
for (ParticleInitialCondition iniCon : iniConditionList) {
if (iniCon instanceof ParticleInitialConditionConcentration) {
try {
subsituteFlattenToConstant(((ParticleInitialConditionConcentration) iniCon).getDistribution());
} catch (// can not be evaluated to a constant
Exception e) {
bkillMol = true;
break;
}
}
}
if (bkillMol) {
Enumeration<SubDomain> subDomainEnumeration = mathDesc.getSubDomains();
while (subDomainEnumeration.hasMoreElements()) {
SubDomain subDomain = subDomainEnumeration.nextElement();
if (subDomain instanceof CompartmentSubDomain && varDomain != subDomain) {
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.cmd + " " + SmoldynVCellMapper.SmoldynKeyword.B + " " + SmoldynVCellMapper.SmoldynKeyword.killmolincmpt + " " + pv.getName() + "(" + SmoldynVCellMapper.SmoldynKeyword.all + ") " + subDomain.getName());
}
}
}
}
printWriter.println();
// write command to kill molecules on membrane for adsortption to nothing
printWriter.println("# kill membrane molecues that are absorbed (to nothing)");
for (String killMolCmd : killMolCommands) {
printWriter.println(killMolCmd);
}
printWriter.println();
printWriter.println("# runtime command");
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.cmd + " " + SmoldynVCellMapper.SmoldynKeyword.E + " " + VCellSmoldynKeyword.vcellPrintProgress);
if (outputFile != null && cartesianMesh != null) {
OutputTimeSpec ots = simulation.getSolverTaskDescription().getOutputTimeSpec();
if (ots.isUniform()) {
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.output_files + " " + outputFile.getName());
ISize sampleSize = simulation.getMeshSpecification().getSamplingSize();
TimeStep timeStep = simulation.getSolverTaskDescription().getTimeStep();
int n = (int) Math.round(((UniformOutputTimeSpec) ots).getOutputTimeStep() / timeStep.getDefaultTimeStep());
if (simulation.getSolverTaskDescription().getSmoldynSimulationOptions().isSaveParticleLocations()) {
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.cmd + " " + SmoldynVCellMapper.SmoldynKeyword.N + " " + n + " " + SmoldynVCellMapper.SmoldynKeyword.incrementfile + " " + outputFile.getName());
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.cmd + " " + SmoldynVCellMapper.SmoldynKeyword.N + " " + n + " " + SmoldynVCellMapper.SmoldynKeyword.listmols + " " + outputFile.getName());
}
// DON'T CHANGE THE ORDER HERE.
// DataProcess must be before vcellWriteOutput
writeDataProcessor();
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.cmd + " " + SmoldynVCellMapper.SmoldynKeyword.N + " " + n + " " + VCellSmoldynKeyword.vcellWriteOutput + " begin");
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.cmd + " " + SmoldynVCellMapper.SmoldynKeyword.N + " " + n + " " + VCellSmoldynKeyword.vcellWriteOutput + " " + VCellSmoldynKeyword.dimension + " " + dimension);
printWriter.print(SmoldynVCellMapper.SmoldynKeyword.cmd + " " + SmoldynVCellMapper.SmoldynKeyword.N + " " + n + " " + VCellSmoldynKeyword.vcellWriteOutput + " " + VCellSmoldynKeyword.sampleSize + " " + sampleSize.getX());
if (dimension > 1) {
printWriter.print(" " + sampleSize.getY());
if (dimension > 2) {
printWriter.print(" " + sampleSize.getZ());
}
}
printWriter.println();
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.cmd + " " + SmoldynVCellMapper.SmoldynKeyword.N + " " + n + " " + VCellSmoldynKeyword.vcellWriteOutput + " " + VCellSmoldynKeyword.numMembraneElements + " " + cartesianMesh.getNumMembraneElements());
for (ParticleVariable pv : particleVariableList) {
String type = pv instanceof MembraneParticleVariable ? VCellSmoldynKeyword.membrane.name() : VCellSmoldynKeyword.volume.name();
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.cmd + " " + SmoldynVCellMapper.SmoldynKeyword.N + " " + n + " " + VCellSmoldynKeyword.vcellWriteOutput + " " + VCellSmoldynKeyword.variable + " " + pv.getName() + " " + type + " " + pv.getDomain().getName());
}
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.cmd + " " + SmoldynVCellMapper.SmoldynKeyword.N + " " + n + " " + VCellSmoldynKeyword.vcellWriteOutput + " end");
} else {
throw new SolverException(SolverDescription.Smoldyn.getDisplayLabel() + " only supports uniform output.");
}
}
printWriter.println();
}
Also used :
ParticleInitialConditionConcentration(cbit.vcell.math.ParticleProperties.ParticleInitialConditionConcentration)
VolumeParticleVariable(cbit.vcell.math.VolumeParticleVariable)
MembraneParticleVariable(cbit.vcell.math.MembraneParticleVariable)
ParticleVariable(cbit.vcell.math.ParticleVariable)
ISize(org.vcell.util.ISize)
ProgrammingException(org.vcell.util.ProgrammingException)
GeometryException(cbit.vcell.geometry.GeometryException)
IOException(java.io.IOException)
DataAccessException(org.vcell.util.DataAccessException)
PropertyVetoException(java.beans.PropertyVetoException)
DivideByZeroException(cbit.vcell.parser.DivideByZeroException)
ImageException(cbit.image.ImageException)
ExpressionBindingException(cbit.vcell.parser.ExpressionBindingException)
SolverException(cbit.vcell.solver.SolverException)
ExpressionException(cbit.vcell.parser.ExpressionException)
MathException(cbit.vcell.math.MathException)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
SubDomain(cbit.vcell.math.SubDomain)
MembraneSubDomain(cbit.vcell.math.MembraneSubDomain)
TimeStep(cbit.vcell.solver.TimeStep)
OutputTimeSpec(cbit.vcell.solver.OutputTimeSpec)
UniformOutputTimeSpec(cbit.vcell.solver.UniformOutputTimeSpec)
MembraneParticleVariable(cbit.vcell.math.MembraneParticleVariable)
CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain)
ParticleInitialCondition(cbit.vcell.math.ParticleProperties.ParticleInitialCondition)
SolverException(cbit.vcell.solver.SolverException)
Aggregations
ParticleInitialCondition (cbit.vcell.math.ParticleProperties.ParticleInitialCondition)5
ParticleInitialConditionConcentration (cbit.vcell.math.ParticleProperties.ParticleInitialConditionConcentration)5
CompartmentSubDomain (cbit.vcell.math.CompartmentSubDomain)3
MathException (cbit.vcell.math.MathException)3
MembraneParticleVariable (cbit.vcell.math.MembraneParticleVariable)3
MembraneSubDomain (cbit.vcell.math.MembraneSubDomain)3
ParticleProperties (cbit.vcell.math.ParticleProperties)3
ParticleInitialConditionCount (cbit.vcell.math.ParticleProperties.ParticleInitialConditionCount)3
ParticleVariable (cbit.vcell.math.ParticleVariable)3
SubDomain (cbit.vcell.math.SubDomain)3
VolumeParticleVariable (cbit.vcell.math.VolumeParticleVariable)3
Variable (cbit.vcell.math.Variable)2
Expression (cbit.vcell.parser.Expression)2
ArrayList (java.util.ArrayList)2
ImageException (cbit.image.ImageException)1
GeometryClass (cbit.vcell.geometry.GeometryClass)1
GeometryException (cbit.vcell.geometry.GeometryException)1
SubVolume (cbit.vcell.geometry.SubVolume)1
SurfaceClass (cbit.vcell.geometry.SurfaceClass)1
SpeciesContextSpecParameter (cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)1
