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Example 31 with ModelParameter

use of cbit.vcell.model.Model.ModelParameter in project vcell by virtualcell.

the class StochMathMapping_4_8 method refreshMathDescription.

/**
 * set up a math description based on current simulationContext.
 */
private void refreshMathDescription() throws MappingException, MatrixException, MathException, ExpressionException, ModelException {
    // use local variable instead of using getter all the time.
    SimulationContext simContext = getSimulationContext();
    // local structure mapping list
    StructureMapping[] structureMappings = simContext.getGeometryContext().getStructureMappings();
    // We have to check if all the reactions are able to tranform to stochastic jump processes before generating the math.
    String stochChkMsg = simContext.getModel().isValidForStochApp();
    if (!(stochChkMsg.equals(""))) {
        throw new ModelException("Problem updating math description: " + simContext.getName() + "\n" + stochChkMsg);
    }
    // All sizes must be set for new ODE models and ratios must be set for old ones.
    simContext.checkValidity();
    // 
    // verify that all structures are mapped to subvolumes and all subvolumes are mapped to a structure
    // 
    Structure[] structures = simContext.getGeometryContext().getModel().getStructures();
    for (int i = 0; i < structures.length; i++) {
        StructureMapping sm = simContext.getGeometryContext().getStructureMapping(structures[i]);
        if (sm == null || (sm instanceof FeatureMapping && getSubVolume(((FeatureMapping) sm)) == null)) {
            throw new MappingException("model structure '" + structures[i].getName() + "' not mapped to a geometry subVolume");
        }
        if (sm != null && (sm instanceof MembraneMapping) && ((MembraneMapping) sm).getVolumeFractionParameter() != null) {
            Expression volFractExp = ((MembraneMapping) sm).getVolumeFractionParameter().getExpression();
            try {
                if (volFractExp != null) {
                    double volFract = volFractExp.evaluateConstant();
                    if (volFract >= 1.0) {
                        throw new MappingException("model structure '" + (getSimulationContext().getModel().getStructureTopology().getInsideFeature(((MembraneMapping) sm).getMembrane()).getName() + "' has volume fraction >= 1.0"));
                    }
                }
            } catch (ExpressionException e) {
                e.printStackTrace(System.out);
            }
        }
    }
    SubVolume[] subVolumes = simContext.getGeometryContext().getGeometry().getGeometrySpec().getSubVolumes();
    for (int i = 0; i < subVolumes.length; i++) {
        if (getStructures(subVolumes[i]) == null || getStructures(subVolumes[i]).length == 0) {
            throw new MappingException("geometry subVolume '" + subVolumes[i].getName() + "' not mapped from a model structure");
        }
    }
    // 
    // gather only those reactionSteps that are not "excluded"
    // 
    ReactionSpec[] reactionSpecs = simContext.getReactionContext().getReactionSpecs();
    Vector<ReactionStep> rsList = new Vector<ReactionStep>();
    for (int i = 0; i < reactionSpecs.length; i++) {
        if (reactionSpecs[i].isExcluded() == false) {
            rsList.add(reactionSpecs[i].getReactionStep());
        }
    }
    ReactionStep[] reactionSteps = new ReactionStep[rsList.size()];
    rsList.copyInto(reactionSteps);
    // 
    for (int i = 0; i < reactionSteps.length; i++) {
        Kinetics.UnresolvedParameter[] unresolvedParameters = reactionSteps[i].getKinetics().getUnresolvedParameters();
        if (unresolvedParameters != null && unresolvedParameters.length > 0) {
            StringBuffer buffer = new StringBuffer();
            for (int j = 0; j < unresolvedParameters.length; j++) {
                if (j > 0) {
                    buffer.append(", ");
                }
                buffer.append(unresolvedParameters[j].getName());
            }
            throw new MappingException(reactionSteps[i].getDisplayType() + " '" + reactionSteps[i].getName() + "' contains unresolved identifier(s): " + buffer);
        }
    }
    // 
    // create new MathDescription (based on simContext's previous MathDescription if possible)
    // 
    MathDescription oldMathDesc = simContext.getMathDescription();
    mathDesc = null;
    if (oldMathDesc != null) {
        if (oldMathDesc.getVersion() != null) {
            mathDesc = new MathDescription(oldMathDesc.getVersion());
        } else {
            mathDesc = new MathDescription(oldMathDesc.getName());
        }
    } else {
        mathDesc = new MathDescription(simContext.getName() + "_generated");
    }
    // 
    // temporarily place all variables in a hashtable (before binding) and discarding duplicates
    // 
    VariableHash varHash = new VariableHash();
    // 
    // conversion factors
    // 
    Model model = simContext.getModel();
    ModelUnitSystem modelUnitSystem = model.getUnitSystem();
    varHash.addVariable(new Constant(getMathSymbol(model.getKMOLE(), null), getIdentifierSubstitutions(model.getKMOLE().getExpression(), model.getKMOLE().getUnitDefinition(), null)));
    varHash.addVariable(new Constant(getMathSymbol(model.getN_PMOLE(), null), getIdentifierSubstitutions(model.getN_PMOLE().getExpression(), model.getN_PMOLE().getUnitDefinition(), null)));
    varHash.addVariable(new Constant(getMathSymbol(model.getFARADAY_CONSTANT(), null), getIdentifierSubstitutions(model.getFARADAY_CONSTANT().getExpression(), model.getFARADAY_CONSTANT().getUnitDefinition(), null)));
    varHash.addVariable(new Constant(getMathSymbol(model.getFARADAY_CONSTANT_NMOLE(), null), getIdentifierSubstitutions(model.getFARADAY_CONSTANT_NMOLE().getExpression(), model.getFARADAY_CONSTANT_NMOLE().getUnitDefinition(), null)));
    varHash.addVariable(new Constant(getMathSymbol(model.getGAS_CONSTANT(), null), getIdentifierSubstitutions(model.getGAS_CONSTANT().getExpression(), model.getGAS_CONSTANT().getUnitDefinition(), null)));
    varHash.addVariable(new Constant(getMathSymbol(model.getTEMPERATURE(), null), getIdentifierSubstitutions(new Expression(simContext.getTemperatureKelvin()), model.getTEMPERATURE().getUnitDefinition(), null)));
    Enumeration<SpeciesContextMapping> enum1 = getSpeciesContextMappings();
    while (enum1.hasMoreElements()) {
        SpeciesContextMapping scm = enum1.nextElement();
        if (scm.getVariable() instanceof StochVolVariable) {
            varHash.addVariable(scm.getVariable());
        }
    }
    // 
    // add rate term for all reactions
    // add current source terms for each reaction step in a membrane
    // 
    /*for (int i = 0; i < reactionSteps.length; i++){
			boolean bAllReactionParticipantsFixed = true;
			ReactionParticipant rp_Array[] = reactionSteps[i].getReactionParticipants();
			for (int j = 0; j < rp_Array.length; j++) {
				SpeciesContextSpec scs = getSimulationContext().getReactionContext().getSpeciesContextSpec(rp_Array[j].getSpeciesContext());
				if (!(rp_Array[j] instanceof Catalyst) && !scs.isConstant()){
					bAllReactionParticipantsFixed = false;  // found at least one reactionParticipant that is not fixed and needs this rate
				}
			}
			StructureMapping sm = simContext.getGeometryContext().getStructureMapping(reactionSteps[i].getStructure());
		}---don't think it's useful, isn't it?*/
    // deals with model parameters
    ModelParameter[] modelParameters = simContext.getModel().getModelParameters();
    for (int j = 0; j < modelParameters.length; j++) {
        Expression expr = getSubstitutedExpr(modelParameters[j].getExpression(), true, false);
        expr = getIdentifierSubstitutions(expr, modelParameters[j].getUnitDefinition(), null);
        varHash.addVariable(newFunctionOrConstant(getMathSymbol(modelParameters[j], null), expr));
    }
    // added July 2009, ElectricalStimulusParameter electric mapping tab
    ElectricalStimulus[] elecStimulus = simContext.getElectricalStimuli();
    if (elecStimulus.length > 0) {
        throw new MappingException("Modles with electrophysiology are not supported for stochastic applications.");
    }
    for (int j = 0; j < structureMappings.length; j++) {
        if (structureMappings[j] instanceof MembraneMapping) {
            MembraneMapping memMapping = (MembraneMapping) structureMappings[j];
            Parameter initialVoltageParm = memMapping.getInitialVoltageParameter();
            try {
                Expression exp = initialVoltageParm.getExpression();
                exp.evaluateConstant();
                varHash.addVariable(newFunctionOrConstant(getMathSymbol(memMapping.getMembrane().getMembraneVoltage(), memMapping), getIdentifierSubstitutions(memMapping.getInitialVoltageParameter().getExpression(), memMapping.getInitialVoltageParameter().getUnitDefinition(), memMapping)));
            } catch (ExpressionException e) {
                e.printStackTrace(System.out);
                throw new MappingException("Membrane initial voltage: " + initialVoltageParm.getName() + " cannot be evaluated as constant.");
            }
        }
    }
    // 
    for (int j = 0; j < reactionSteps.length; j++) {
        ReactionStep rs = reactionSteps[j];
        if (simContext.getReactionContext().getReactionSpec(rs).isExcluded()) {
            continue;
        }
        if (rs.getKinetics() instanceof LumpedKinetics) {
            throw new RuntimeException("Lumped Kinetics not yet supported for Stochastic Math Generation");
        }
        Kinetics.KineticsParameter[] parameters = rs.getKinetics().getKineticsParameters();
        StructureMapping sm = simContext.getGeometryContext().getStructureMapping(rs.getStructure());
        if (parameters != null) {
            for (int i = 0; i < parameters.length; i++) {
                if ((parameters[i].getRole() == Kinetics.ROLE_CurrentDensity) && (parameters[i].getExpression() == null || parameters[i].getExpression().isZero())) {
                    continue;
                }
                // don't add rate, we'll do it later when creating the jump processes
                if (parameters[i].getRole() != Kinetics.ROLE_ReactionRate) {
                    Expression expr = getSubstitutedExpr(parameters[i].getExpression(), true, false);
                    varHash.addVariable(newFunctionOrConstant(getMathSymbol(parameters[i], sm), getIdentifierSubstitutions(expr, parameters[i].getUnitDefinition(), sm)));
                }
            }
        }
    }
    // the parameter "Size" is already put into mathsymbolmapping in refreshSpeciesContextMapping()
    for (int i = 0; i < structureMappings.length; i++) {
        StructureMapping sm = structureMappings[i];
        StructureMapping.StructureMappingParameter parm = sm.getParameterFromRole(StructureMapping.ROLE_Size);
        if (parm.getExpression() != null) {
            try {
                double value = parm.getExpression().evaluateConstant();
                varHash.addVariable(new Constant(getMathSymbol(parm, sm), new Expression(value)));
            } catch (ExpressionException e) {
                // varHash.addVariable(new Function(getMathSymbol0(parm,sm),getIdentifierSubstitutions(parm.getExpression(),parm.getUnitDefinition(),sm)));
                e.printStackTrace(System.out);
                throw new MappingException("Size of structure:" + sm.getNameScope().getName() + " cannot be evaluated as constant.");
            }
        }
    }
    // 
    // species initial values (either function or constant)
    // 
    SpeciesContextSpec[] speciesContextSpecs = simContext.getReactionContext().getSpeciesContextSpecs();
    for (int i = 0; i < speciesContextSpecs.length; i++) {
        // can be concentration or amount
        SpeciesContextSpec.SpeciesContextSpecParameter initParam = null;
        Expression iniExp = null;
        StructureMapping sm = simContext.getGeometryContext().getStructureMapping(speciesContextSpecs[i].getSpeciesContext().getStructure());
        if (speciesContextSpecs[i].getInitialConcentrationParameter() != null && speciesContextSpecs[i].getInitialConcentrationParameter().getExpression() != null) {
            // use concentration, need to set up amount functions
            initParam = speciesContextSpecs[i].getInitialConcentrationParameter();
            iniExp = initParam.getExpression();
            iniExp = getSubstitutedExpr(iniExp, true, !speciesContextSpecs[i].isConstant());
            // now create the appropriate function or Constant for the speciesContextSpec.
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(initParam, sm), getIdentifierSubstitutions(iniExp, initParam.getUnitDefinition(), sm)));
            // add function for initial amount
            SpeciesContextSpec.SpeciesContextSpecParameter initAmountParam = speciesContextSpecs[i].getInitialCountParameter();
            Expression iniAmountExp = getExpressionConcToAmt(new Expression(initParam, getNameScope()), speciesContextSpecs[i].getSpeciesContext());
            // iniAmountExp.bindExpression(this);
            varHash.addVariable(new Function(getMathSymbol(initAmountParam, sm), getIdentifierSubstitutions(iniAmountExp, initAmountParam.getUnitDefinition(), sm), nullDomain));
        } else if (speciesContextSpecs[i].getInitialCountParameter() != null && speciesContextSpecs[i].getInitialCountParameter().getExpression() != null) {
            // use amount
            initParam = speciesContextSpecs[i].getInitialCountParameter();
            iniExp = initParam.getExpression();
            iniExp = getSubstitutedExpr(iniExp, false, !speciesContextSpecs[i].isConstant());
            // now create the appropriate function or Constant for the speciesContextSpec.
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(initParam, sm), getIdentifierSubstitutions(iniExp, initParam.getUnitDefinition(), sm)));
        }
        // add spConcentration (concentration of species) to varHash as function or constant
        SpeciesConcentrationParameter spConcParam = getSpeciesConcentrationParameter(speciesContextSpecs[i].getSpeciesContext());
        varHash.addVariable(newFunctionOrConstant(getMathSymbol(spConcParam, sm), getIdentifierSubstitutions(spConcParam.getExpression(), spConcParam.getUnitDefinition(), sm)));
    }
    // 
    // constant species (either function or constant)
    // 
    enum1 = getSpeciesContextMappings();
    while (enum1.hasMoreElements()) {
        SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
        if (scm.getVariable() instanceof Constant) {
            varHash.addVariable(scm.getVariable());
        }
    }
    // 
    if (simContext.getGeometryContext().getGeometry() != null) {
        try {
            mathDesc.setGeometry(simContext.getGeometryContext().getGeometry());
        } catch (java.beans.PropertyVetoException e) {
            e.printStackTrace(System.out);
            throw new MappingException("failure setting geometry " + e.getMessage());
        }
    } else {
        throw new MappingException("geometry must be defined");
    }
    // 
    // functions: species which is not a variable, but has dependency expression
    // 
    enum1 = getSpeciesContextMappings();
    while (enum1.hasMoreElements()) {
        SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
        if (scm.getVariable() == null && scm.getDependencyExpression() != null) {
            StructureMapping sm = simContext.getGeometryContext().getStructureMapping(scm.getSpeciesContext().getStructure());
            Expression exp = scm.getDependencyExpression();
            exp.bindExpression(this);
            SpeciesCountParameter spCountParam = getSpeciesCountParameter(scm.getSpeciesContext());
            varHash.addVariable(new Function(getMathSymbol(spCountParam, sm), getIdentifierSubstitutions(exp, spCountParam.getUnitDefinition(), sm), nullDomain));
        }
    }
    // 
    // create subDomains
    // 
    SubDomain subDomain = null;
    subVolumes = simContext.getGeometryContext().getGeometry().getGeometrySpec().getSubVolumes();
    for (int j = 0; j < subVolumes.length; j++) {
        SubVolume subVolume = (SubVolume) subVolumes[j];
        // 
        // get priority of subDomain
        // 
        int priority;
        Feature spatialFeature = getResolvedFeature(subVolume);
        if (spatialFeature == null) {
            if (simContext.getGeometryContext().getGeometry().getDimension() > 0) {
                throw new MappingException("no compartment (in Physiology) is mapped to subdomain '" + subVolume.getName() + "' (in Geometry)");
            } else {
                priority = CompartmentSubDomain.NON_SPATIAL_PRIORITY;
            }
        } else {
            // now does not have to match spatial feature, *BUT* needs to be unique
            priority = j;
        }
        subDomain = new CompartmentSubDomain(subVolume.getName(), priority);
        mathDesc.addSubDomain(subDomain);
    }
    // ReactionSpec[] reactionSpecs = simContext.getReactionContext().getReactionSpecs();---need to take a look here!
    for (int i = 0; i < reactionSpecs.length; i++) {
        if (reactionSpecs[i].isExcluded()) {
            continue;
        }
        // get the reaction
        ReactionStep reactionStep = reactionSpecs[i].getReactionStep();
        Kinetics kinetics = reactionStep.getKinetics();
        // the structure where reaction happens
        StructureMapping sm = simContext.getGeometryContext().getStructureMapping(reactionStep.getStructure());
        // create symbol table for jump process based on reactionStep and structure mapping
        // final ReactionStep finalRS = reactionStep;
        // final StructureMapping finalSM = sm;
        // SymbolTable symTable = new SymbolTable(){
        // public SymbolTableEntry getEntry(String identifierString) throws ExpressionBindingException {
        // SymbolTableEntry ste = finalRS.getEntry(identifierString);
        // if(ste == null)
        // {
        // ste = finalSM.getEntry(identifierString);
        // }
        // return ste;
        // }
        // };
        // Different ways to deal with simple reactions and flux reactions
        // probability parameter from modelUnitSystem
        VCUnitDefinition probabilityParamUnit = modelUnitSystem.getStochasticSubstanceUnit().divideBy(modelUnitSystem.getTimeUnit());
        if (// simple reactions
        reactionStep instanceof SimpleReaction) {
            // check the reaction rate law to see if we need to decompose a reaction(reversible) into two jump processes.
            // rate constants are important in calculating the probability rate.
            // for Mass Action, we use KForward and KReverse,
            // for General Kinetics we parse reaction rate J to see if it is in Mass Action form.
            Expression forwardRate = null;
            Expression reverseRate = null;
            if (kinetics.getKineticsDescription().equals(KineticsDescription.MassAction)) {
                forwardRate = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_KForward).getExpression();
                reverseRate = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_KReverse).getExpression();
            } else if (kinetics.getKineticsDescription().equals(KineticsDescription.General)) {
                Expression rateExp = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_ReactionRate).getExpression();
                MassActionSolver.MassActionFunction maFunc = MassActionSolver.solveMassAction(null, null, rateExp, reactionStep);
                if (maFunc.getForwardRate() == null && maFunc.getReverseRate() == null) {
                    throw new MappingException("Cannot generate stochastic math mapping for the reaction:" + reactionStep.getName() + "\nLooking for the rate function according to the form of k1*Reactant1^Stoir1*Reactant2^Stoir2...-k2*Product1^Stoip1*Product2^Stoip2.");
                } else {
                    if (maFunc.getForwardRate() != null) {
                        forwardRate = maFunc.getForwardRate();
                    }
                    if (maFunc.getReverseRate() != null) {
                        reverseRate = maFunc.getReverseRate();
                    }
                }
            }
            /*else if (kinetics.getKineticsDescription().getName().compareTo(KineticsDescription.HMM_irreversible.getName())==0)
			    {
				    forwardRate = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_Km).getExpression();
				}
			    else if (kinetics.getKineticsDescription().getName().compareTo(KineticsDescription.HMM_reversible.getName())==0)
			    {
					forwardRate = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_KmFwd).getExpression();
					reverseRate = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_KmRev).getExpression();
				}*/
            boolean isForwardRatePresent = false;
            boolean isReverseRatePresent = false;
            if (forwardRate != null) {
                isForwardRatePresent = true;
            }
            if (reverseRate != null) {
                isReverseRatePresent = true;
            }
            // we process it as forward reaction
            if ((isForwardRatePresent)) /*|| ((forwardRate == null) && (reverseRate == null))*/
            {
                // get jump process name
                String jpName = TokenMangler.mangleToSName(reactionStep.getName());
                // get probability
                Expression exp = null;
                // reactions are mass actions
                exp = getProbabilityRate(reactionStep, true);
                // bind symbol table before substitute identifiers in the reaction step
                exp.bindExpression(this);
                MathMapping_4_8.ProbabilityParameter probParm = null;
                try {
                    probParm = addProbabilityParameter("P_" + jpName, exp, MathMapping_4_8.PARAMETER_ROLE_P, probabilityParamUnit, reactionSpecs[i]);
                } catch (PropertyVetoException pve) {
                    pve.printStackTrace();
                    throw new MappingException(pve.getMessage());
                }
                // add probability to function or constant
                varHash.addVariable(newFunctionOrConstant(getMathSymbol(probParm, sm), getIdentifierSubstitutions(exp, probabilityParamUnit, sm)));
                JumpProcess jp = new JumpProcess(jpName, new Expression(getMathSymbol(probParm, sm)));
                // actions
                ReactionParticipant[] reacPart = reactionStep.getReactionParticipants();
                for (int j = 0; j < reacPart.length; j++) {
                    Action action = null;
                    SpeciesCountParameter spCountParam = getSpeciesCountParameter(reacPart[j].getSpeciesContext());
                    if (reacPart[j] instanceof Reactant) {
                        // check if the reactant is a constant. If the species is a constant, there will be no action taken on this species
                        if (// not a constant
                        !simContext.getReactionContext().getSpeciesContextSpec(reacPart[j].getSpeciesContext()).isConstant()) {
                            int stoi = ((Reactant) reacPart[j]).getStoichiometry();
                            action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression("-" + String.valueOf(stoi)));
                            jp.addAction(action);
                        }
                    } else if (reacPart[j] instanceof Product) {
                        // check if the product is a constant. If the product is a constant, there will be no action taken on this species
                        if (// not a constant
                        !simContext.getReactionContext().getSpeciesContextSpec(reacPart[j].getSpeciesContext()).isConstant()) {
                            int stoi = ((Product) reacPart[j]).getStoichiometry();
                            action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression(stoi));
                            jp.addAction(action);
                        }
                    }
                }
                // add jump process to compartment subDomain
                subDomain.addJumpProcess(jp);
            }
            if (// one more jump process for a reversible reaction
            isReverseRatePresent) {
                // get jump process name
                String jpName = TokenMangler.mangleToSName(reactionStep.getName()) + "_reverse";
                Expression exp = null;
                // reactions are mass actions
                exp = getProbabilityRate(reactionStep, false);
                // bind symbol table before substitute identifiers in the reaction step
                exp.bindExpression(this);
                MathMapping_4_8.ProbabilityParameter probRevParm = null;
                try {
                    probRevParm = addProbabilityParameter("P_" + jpName, exp, MathMapping_4_8.PARAMETER_ROLE_P_reverse, probabilityParamUnit, reactionSpecs[i]);
                } catch (PropertyVetoException pve) {
                    pve.printStackTrace();
                    throw new MappingException(pve.getMessage());
                }
                // add probability to function or constant
                varHash.addVariable(newFunctionOrConstant(getMathSymbol(probRevParm, sm), getIdentifierSubstitutions(exp, probabilityParamUnit, sm)));
                JumpProcess jp = new JumpProcess(jpName, new Expression(getMathSymbol(probRevParm, sm)));
                // actions
                ReactionParticipant[] reacPart = reactionStep.getReactionParticipants();
                for (int j = 0; j < reacPart.length; j++) {
                    Action action = null;
                    SpeciesCountParameter spCountParam = getSpeciesCountParameter(reacPart[j].getSpeciesContext());
                    if (reacPart[j] instanceof Reactant) {
                        // check if the reactant is a constant. If the species is a constant, there will be no action taken on this species
                        if (// not a constant
                        !simContext.getReactionContext().getSpeciesContextSpec(reacPart[j].getSpeciesContext()).isConstant()) {
                            int stoi = ((Reactant) reacPart[j]).getStoichiometry();
                            action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression(stoi));
                            jp.addAction(action);
                        }
                    } else if (reacPart[j] instanceof Product) {
                        // check if the product is a constant. If the product is a constant, there will be no action taken on this species
                        if (// not a constant
                        !simContext.getReactionContext().getSpeciesContextSpec(reacPart[j].getSpeciesContext()).isConstant()) {
                            int stoi = ((Product) reacPart[j]).getStoichiometry();
                            action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression("-" + String.valueOf(stoi)));
                            jp.addAction(action);
                        }
                    }
                }
                // add jump process to compartment subDomain
                subDomain.addJumpProcess(jp);
            }
        // end of if(isForwardRateNonZero), if(isReverseRateNonRate)
        } else if (// flux reactions
        reactionStep instanceof FluxReaction) {
            // we could set jump processes for general flux rate in forms of p1*Sout + p2*Sin
            if (kinetics.getKineticsDescription().equals(KineticsDescription.General)) {
                Expression fluxRate = kinetics.getKineticsParameterFromRole(Kinetics.ROLE_ReactionRate).getExpression();
                // we have to pass the math description para to flux solver, coz somehow math description in simulation context is not updated.
                MassActionSolver.MassActionFunction fluxFunc = MassActionSolver.solveMassAction(null, null, fluxRate, (FluxReaction) reactionStep);
                // create jump process for forward flux if it exists.
                if (fluxFunc.getForwardRate() != null && !fluxFunc.getForwardRate().isZero()) {
                    // jump process name
                    // +"_reverse";
                    String jpName = TokenMangler.mangleToSName(reactionStep.getName());
                    // we do it here instead of fluxsolver, coz we need to use getMathSymbol0(), structuremapping...etc.
                    Expression rate = fluxFunc.getForwardRate();
                    // get species expression (depend on structure, if mem: Species/mem_Size, if vol: species*KMOLE/vol_size)
                    SpeciesContext scOut = fluxFunc.getReactants().get(0).getSpeciesContext();
                    Expression speciesFactor = null;
                    if (scOut.getStructure() instanceof Feature) {
                        Expression exp1 = new Expression(1.0 / 602.0);
                        Expression exp2 = new Expression(scOut.getStructure().getStructureSize(), getNameScope());
                        speciesFactor = Expression.div(Expression.invert(exp1), exp2);
                    } else {
                        throw new MappingException("Species involved in a flux have to be volume species.");
                    }
                    Expression speciesExp = Expression.mult(speciesFactor, new Expression(scOut, getNameScope()));
                    // get probability expression by adding factor to rate (rate: rate*size_mem/KMOLE)
                    Expression expr1 = Expression.mult(rate, speciesExp);
                    Expression numeratorExpr = Expression.mult(expr1, new Expression(sm.getStructure().getStructureSize(), getNameScope()));
                    Expression exp = new Expression(1.0 / 602.0);
                    Expression probExp = Expression.mult(numeratorExpr, exp);
                    // bind symbol table before substitute identifiers in the reaction step
                    probExp.bindExpression(reactionStep);
                    MathMapping_4_8.ProbabilityParameter probParm = null;
                    try {
                        probParm = addProbabilityParameter("P_" + jpName, probExp, MathMapping_4_8.PARAMETER_ROLE_P, probabilityParamUnit, reactionSpecs[i]);
                    } catch (PropertyVetoException pve) {
                        pve.printStackTrace();
                        throw new MappingException(pve.getMessage());
                    }
                    // add probability to function or constant
                    varHash.addVariable(newFunctionOrConstant(getMathSymbol(probParm, sm), getIdentifierSubstitutions(probExp, probabilityParamUnit, sm)));
                    JumpProcess jp = new JumpProcess(jpName, new Expression(getMathSymbol(probParm, sm)));
                    // actions
                    Action action = null;
                    SpeciesContext sc = fluxFunc.getReactants().get(0).getSpeciesContext();
                    if (!simContext.getReactionContext().getSpeciesContextSpec(sc).isConstant()) {
                        SpeciesCountParameter spCountParam = getSpeciesCountParameter(sc);
                        action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression(-1));
                        jp.addAction(action);
                    }
                    sc = fluxFunc.getProducts().get(0).getSpeciesContext();
                    if (!simContext.getReactionContext().getSpeciesContextSpec(sc).isConstant()) {
                        SpeciesCountParameter spCountParam = getSpeciesCountParameter(sc);
                        action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression(1));
                        jp.addAction(action);
                    }
                    subDomain.addJumpProcess(jp);
                }
                if (fluxFunc.getReverseRate() != null && !fluxFunc.getReverseRate().isZero()) {
                    // jump process name
                    String jpName = TokenMangler.mangleToSName(reactionStep.getName()) + "_reverse";
                    Expression rate = fluxFunc.getReverseRate();
                    // get species expression (depend on structure, if mem: Species/mem_Size, if vol: species*KMOLE/vol_size)
                    SpeciesContext scIn = fluxFunc.getProducts().get(0).getSpeciesContext();
                    Expression speciesFactor = null;
                    if (scIn.getStructure() instanceof Feature) {
                        Expression exp1 = new Expression(1.0 / 602.0);
                        Expression exp2 = new Expression(scIn.getStructure().getStructureSize(), getNameScope());
                        speciesFactor = Expression.div(Expression.invert(exp1), exp2);
                    } else {
                        throw new MappingException("Species involved in a flux have to be volume species.");
                    }
                    Expression speciesExp = Expression.mult(speciesFactor, new Expression(scIn, getNameScope()));
                    // get probability expression by adding factor to rate (rate: rate*size_mem/KMOLE)
                    Expression expr1 = Expression.mult(rate, speciesExp);
                    Expression numeratorExpr = Expression.mult(expr1, new Expression(sm.getStructure().getStructureSize(), getNameScope()));
                    Expression exp = new Expression(1.0 / 602.0);
                    Expression probRevExp = Expression.mult(numeratorExpr, exp);
                    // bind symbol table before substitute identifiers in the reaction step
                    probRevExp.bindExpression(reactionStep);
                    MathMapping_4_8.ProbabilityParameter probRevParm = null;
                    try {
                        probRevParm = addProbabilityParameter("P_" + jpName, probRevExp, MathMapping_4_8.PARAMETER_ROLE_P_reverse, probabilityParamUnit, reactionSpecs[i]);
                    } catch (PropertyVetoException pve) {
                        pve.printStackTrace();
                        throw new MappingException(pve.getMessage());
                    }
                    // add probability to function or constant
                    varHash.addVariable(newFunctionOrConstant(getMathSymbol(probRevParm, sm), getIdentifierSubstitutions(probRevExp, probabilityParamUnit, sm)));
                    JumpProcess jp = new JumpProcess(jpName, new Expression(getMathSymbol(probRevParm, sm)));
                    // actions
                    Action action = null;
                    SpeciesContext sc = fluxFunc.getReactants().get(0).getSpeciesContext();
                    if (!simContext.getReactionContext().getSpeciesContextSpec(sc).isConstant()) {
                        SpeciesCountParameter spCountParam = getSpeciesCountParameter(sc);
                        action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression(1));
                        jp.addAction(action);
                    }
                    sc = fluxFunc.getProducts().get(0).getSpeciesContext();
                    if (!simContext.getReactionContext().getSpeciesContextSpec(sc).isConstant()) {
                        SpeciesCountParameter spCountParam = getSpeciesCountParameter(sc);
                        action = new Action(varHash.getVariable(getMathSymbol(spCountParam, sm)), "inc", new Expression(-1));
                        jp.addAction(action);
                    }
                    subDomain.addJumpProcess(jp);
                }
            }
        }
    // end of if (simplereaction)...else if(fluxreaction)
    }
    // end of reaction step loop
    // 
    // set Variables to MathDescription all at once with the order resolved by "VariableHash"
    // 
    mathDesc.setAllVariables(varHash.getAlphabeticallyOrderedVariables());
    // set up variable initial conditions in subDomain
    SpeciesContextSpec[] scSpecs = simContext.getReactionContext().getSpeciesContextSpecs();
    for (int i = 0; i < speciesContextSpecs.length; i++) {
        // get stochastic variable by name
        SpeciesCountParameter spCountParam = getSpeciesCountParameter(speciesContextSpecs[i].getSpeciesContext());
        StructureMapping sm = simContext.getGeometryContext().getStructureMapping(speciesContextSpecs[i].getSpeciesContext().getStructure());
        String varName = getMathSymbol(spCountParam, sm);
        if (scSpecs[i].isConstant()) {
            continue;
        }
        StochVolVariable var = (StochVolVariable) mathDesc.getVariable(varName);
        // stochastic use initial number of particles
        SpeciesContextSpec.SpeciesContextSpecParameter initParm = scSpecs[i].getInitialCountParameter();
        // stochastic variables initial expression.
        if (initParm != null) {
            VarIniCondition varIni = new VarIniCount(var, new Expression(getMathSymbol(initParm, sm)));
            subDomain.addVarIniCondition(varIni);
        }
    }
    if (!mathDesc.isValid()) {
        throw new MappingException("generated an invalid mathDescription: " + mathDesc.getWarning());
    }
}
Also used : VarIniCondition(cbit.vcell.math.VarIniCondition) MembraneMapping(cbit.vcell.mapping.MembraneMapping) LumpedKinetics(cbit.vcell.model.LumpedKinetics) MathDescription(cbit.vcell.math.MathDescription) SpeciesContextMapping(cbit.vcell.mapping.SpeciesContextMapping) Product(cbit.vcell.model.Product) FluxReaction(cbit.vcell.model.FluxReaction) SpeciesContext(cbit.vcell.model.SpeciesContext) SpeciesContextSpec(cbit.vcell.mapping.SpeciesContextSpec) Feature(cbit.vcell.model.Feature) Reactant(cbit.vcell.model.Reactant) ExpressionException(cbit.vcell.parser.ExpressionException) MappingException(cbit.vcell.mapping.MappingException) PropertyVetoException(java.beans.PropertyVetoException) CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain) SubDomain(cbit.vcell.math.SubDomain) KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter) SubVolume(cbit.vcell.geometry.SubVolume) Vector(java.util.Vector) ModelException(cbit.vcell.model.ModelException) ReactionSpec(cbit.vcell.mapping.ReactionSpec) PropertyVetoException(java.beans.PropertyVetoException) ModelParameter(cbit.vcell.model.Model.ModelParameter) VCUnitDefinition(cbit.vcell.units.VCUnitDefinition) CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain) ReactionStep(cbit.vcell.model.ReactionStep) Kinetics(cbit.vcell.model.Kinetics) LumpedKinetics(cbit.vcell.model.LumpedKinetics) ReactionParticipant(cbit.vcell.model.ReactionParticipant) Action(cbit.vcell.math.Action) VariableHash(cbit.vcell.math.VariableHash) Constant(cbit.vcell.math.Constant) StructureMapping(cbit.vcell.mapping.StructureMapping) Function(cbit.vcell.math.Function) FeatureMapping(cbit.vcell.mapping.FeatureMapping) JumpProcess(cbit.vcell.math.JumpProcess) Structure(cbit.vcell.model.Structure) StochVolVariable(cbit.vcell.math.StochVolVariable) ModelUnitSystem(cbit.vcell.model.ModelUnitSystem) SimpleReaction(cbit.vcell.model.SimpleReaction) VarIniCount(cbit.vcell.math.VarIniCount) SimulationContext(cbit.vcell.mapping.SimulationContext) ElectricalStimulus(cbit.vcell.mapping.ElectricalStimulus) Expression(cbit.vcell.parser.Expression) Model(cbit.vcell.model.Model) ProxyParameter(cbit.vcell.model.ProxyParameter) Parameter(cbit.vcell.model.Parameter) KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter) ModelParameter(cbit.vcell.model.Model.ModelParameter)

Example 32 with ModelParameter

use of cbit.vcell.model.Model.ModelParameter in project vcell by virtualcell.

the class AbstractMathMapping method getMathSymbol0.

/**
 * Substitutes appropriate variables for speciesContext bindings
 *
 * @return cbit.vcell.parser.Expression
 * @param origExp cbit.vcell.parser.Expression
 * @param structureMapping cbit.vcell.mapping.StructureMapping
 */
protected final String getMathSymbol0(SymbolTableEntry ste, GeometryClass geometryClass) throws MappingException {
    String steName = ste.getName();
    if (ste instanceof Kinetics.KineticsParameter) {
        Integer count = localNameCountHash.get(steName);
        if (count == null) {
            throw new MappingException("KineticsParameter " + steName + " not found in local name count");
        }
        if (count > 1 || steName.equals("J")) {
            return steName + "_" + ste.getNameScope().getName();
        // return getNameScope().getSymbolName(ste);
        } else {
            return steName;
        }
    }
    if (ste instanceof LocalParameter && ((LocalParameter) ste).getNameScope() instanceof ReactionRule.ReactionRuleNameScope) {
        Integer count = localNameCountHash.get(steName);
        if (count == null) {
            throw new MappingException("Reaction Rule Parameter " + steName + " not found in local name count");
        }
        if (count > 1 || steName.equals("J")) {
            return steName + "_" + ste.getNameScope().getName();
        // return getNameScope().getSymbolName(ste);
        } else {
            return steName;
        }
    }
    if (ste instanceof ProbabilityParameter) {
        // be careful here, to see if we need mangle the reaction name
        ProbabilityParameter probParm = (ProbabilityParameter) ste;
        return probParm.getName() + PARAMETER_PROBABLIITY_RATE_SUFFIX;
    }
    if (ste instanceof SpeciesConcentrationParameter) {
        SpeciesConcentrationParameter concParm = (SpeciesConcentrationParameter) ste;
        return concParm.getSpeciesContext().getName() + MATH_FUNC_SUFFIX_SPECIES_CONCENTRATION;
    }
    if (ste instanceof SpeciesCountParameter) {
        SpeciesCountParameter countParm = (SpeciesCountParameter) ste;
        return countParm.getSpeciesContext().getName() + MATH_VAR_SUFFIX_SPECIES_COUNT;
    }
    if (ste instanceof ObservableConcentrationParameter) {
        ObservableConcentrationParameter concParm = (ObservableConcentrationParameter) ste;
        return concParm.getObservable().getName() + MATH_FUNC_SUFFIX_SPECIES_CONCENTRATION;
    }
    if (ste instanceof ObservableCountParameter) {
        ObservableCountParameter countParm = (ObservableCountParameter) ste;
        return countParm.getObservable().getName() + MATH_VAR_SUFFIX_SPECIES_COUNT;
    }
    if (ste instanceof RbmObservable) {
        RbmObservable observable = (RbmObservable) ste;
        return observable.getName() + MATH_FUNC_SUFFIX_SPECIES_CONCENTRATION;
    }
    if (ste instanceof EventAssignmentOrRateRuleInitParameter) {
        EventAssignmentOrRateRuleInitParameter eventInitParm = (EventAssignmentOrRateRuleInitParameter) ste;
        // + MATH_FUNC_SUFFIX_EVENTASSIGN_OR_RATE_INIT;
        return eventInitParm.getName();
    }
    if (ste instanceof RateRuleRateParameter) {
        RateRuleRateParameter rateRuleRateParm = (RateRuleRateParameter) ste;
        // + MATH_FUNC_SUFFIX_RATERULE_RATE;
        return rateRuleRateParm.getName();
    }
    if (ste instanceof Model.ReservedSymbol) {
        return steName;
    }
    if (ste instanceof Membrane.MembraneVoltage) {
        return steName;
    }
    if (ste instanceof Structure.StructureSize) {
        Structure structure = ((Structure.StructureSize) ste).getStructure();
        StructureMapping.StructureMappingParameter sizeParameter = simContext.getGeometryContext().getStructureMapping(structure).getSizeParameter();
        return getMathSymbol(sizeParameter, geometryClass);
    }
    if (ste instanceof ProxyParameter) {
        ProxyParameter pp = (ProxyParameter) ste;
        return getMathSymbol0(pp.getTarget(), geometryClass);
    }
    // 
    if (ste instanceof ModelParameter) {
        ModelParameter mp = (ModelParameter) ste;
        return mp.getName();
    }
    if (ste instanceof SpeciesContextSpec.SpeciesContextSpecParameter) {
        SpeciesContextSpec.SpeciesContextSpecParameter scsParm = (SpeciesContextSpec.SpeciesContextSpecParameter) ste;
        SpeciesContext speciesContext = ((SpeciesContextSpec) (scsParm.getNameScope().getScopedSymbolTable())).getSpeciesContext();
        SpeciesContextMapping scm = getSpeciesContextMapping(speciesContext);
        String speciesContextVarName = null;
        if (scm.getVariable() != null) {
            speciesContextVarName = scm.getVariable().getName();
        } else {
            speciesContextVarName = speciesContext.getName();
        }
        if (scsParm.getRole() == SpeciesContextSpec.ROLE_InitialConcentration) {
            return speciesContextVarName + MATH_FUNC_SUFFIX_SPECIES_INIT_CONC_UNIT_PREFIX + TokenMangler.fixTokenStrict(scsParm.getUnitDefinition().getSymbol());
        }
        if (scsParm.getRole() == SpeciesContextSpec.ROLE_InitialCount) {
            return speciesContextVarName + MATH_FUNC_SUFFIX_SPECIES_INIT_COUNT;
        }
        if (scsParm.getRole() == SpeciesContextSpec.ROLE_DiffusionRate) {
            return speciesContextVarName + PARAMETER_DIFFUSION_RATE_SUFFIX;
        }
        if (scsParm.getRole() == SpeciesContextSpec.ROLE_BoundaryValueXm) {
            return speciesContextVarName + PARAMETER_BOUNDARY_XM_SUFFIX;
        }
        if (scsParm.getRole() == SpeciesContextSpec.ROLE_BoundaryValueXp) {
            return speciesContextVarName + PARAMETER_BOUNDARY_XP_SUFFIX;
        }
        if (scsParm.getRole() == SpeciesContextSpec.ROLE_BoundaryValueYm) {
            return speciesContextVarName + PARAMETER_BOUNDARY_YM_SUFFIX;
        }
        if (scsParm.getRole() == SpeciesContextSpec.ROLE_BoundaryValueYp) {
            return speciesContextVarName + PARAMETER_BOUNDARY_YP_SUFFIX;
        }
        if (scsParm.getRole() == SpeciesContextSpec.ROLE_BoundaryValueZm) {
            return speciesContextVarName + PARAMETER_BOUNDARY_ZM_SUFFIX;
        }
        if (scsParm.getRole() == SpeciesContextSpec.ROLE_BoundaryValueZp) {
            return speciesContextVarName + PARAMETER_BOUNDARY_ZP_SUFFIX;
        }
        if (scsParm.getRole() == SpeciesContextSpec.ROLE_VelocityX) {
            return speciesContextVarName + PARAMETER_VELOCITY_X_SUFFIX;
        }
        if (scsParm.getRole() == SpeciesContextSpec.ROLE_VelocityY) {
            return speciesContextVarName + PARAMETER_VELOCITY_Y_SUFFIX;
        }
        if (scsParm.getRole() == SpeciesContextSpec.ROLE_VelocityZ) {
            return speciesContextVarName + PARAMETER_VELOCITY_Z_SUFFIX;
        }
    }
    if (ste instanceof ElectricalDevice.ElectricalDeviceParameter) {
        ElectricalDevice.ElectricalDeviceParameter edParm = (ElectricalDevice.ElectricalDeviceParameter) ste;
        ElectricalDevice electricalDevice = (ElectricalDevice) edParm.getNameScope().getScopedSymbolTable();
        if (electricalDevice instanceof MembraneElectricalDevice) {
            String nameWithScope = ((MembraneElectricalDevice) electricalDevice).getMembraneMapping().getMembrane().getNameScope().getName();
            if (edParm.getRole() == ElectricalDevice.ROLE_TotalCurrent) {
                return PARAMETER_TOTAL_CURRENT_PREFIX + nameWithScope;
            }
            if (edParm.getRole() == ElectricalDevice.ROLE_TransmembraneCurrent) {
                return PARAMETER_TRANSMEMBRANE_CURRENT_PREFIX + nameWithScope;
            }
        // }else if (electricalDevice instanceof CurrentClampElectricalDevice) {
        // if (edParm.getRole()==ElectricalDevice.ROLE_TotalCurrentDensity){
        // return "I_"+((CurrentClampElectricalDevice)electricalDevice).getCurrentClampStimulus().getNameScope().getName();
        // }
        // if (edParm.getRole()==ElectricalDevice.ROLE_TransmembraneCurrentDensity){
        // return "F_"+((CurrentClampElectricalDevice)electricalDevice).getCurrentClampStimulus().getNameScope().getName();
        // }
        // }else if (electricalDevice instanceof VoltageClampElectricalDevice) {
        // if (edParm.getRole()==ElectricalDevice.ROLE_TotalCurrentDensity){
        // return "I_"+((VoltageClampElectricalDevice)electricalDevice).getVoltageClampStimulus().getNameScope().getName();
        // }
        // if (edParm.getRole()==ElectricalDevice.ROLE_TransmembraneCurrentDensity){
        // return "F_"+((VoltageClampElectricalDevice)electricalDevice).getVoltageClampStimulus().getNameScope().getName();
        // }
        }
    }
    if (ste instanceof LocalParameter && ((LocalParameter) ste).getNameScope() instanceof ElectricalStimulus.ElectricalStimulusNameScope) {
        LocalParameter esParm = (LocalParameter) ste;
        String nameWithScope = esParm.getNameScope().getName();
        if (esParm.getRole() == ElectricalStimulus.ElectricalStimulusParameterType.TotalCurrent) {
            return PARAMETER_TOTAL_CURRENT_PREFIX + nameWithScope;
        } else if (esParm.getRole() == ElectricalStimulus.ElectricalStimulusParameterType.Voltage) {
            return PARAMETER_VOLTAGE_PREFIX + nameWithScope;
        }
    }
    if (ste instanceof StructureMapping.StructureMappingParameter) {
        StructureMapping.StructureMappingParameter smParm = (StructureMapping.StructureMappingParameter) ste;
        Structure structure = ((StructureMapping) (smParm.getNameScope().getScopedSymbolTable())).getStructure();
        String nameWithScope = structure.getNameScope().getName();
        int role = smParm.getRole();
        if (role == StructureMapping.ROLE_InitialVoltage) {
            return smParm.getName();
        } else if (role == StructureMapping.ROLE_SpecificCapacitance) {
            return PARAMETER_SPECIFIC_CAPACITANCE_PREFIX + nameWithScope;
        } else if (role == StructureMapping.ROLE_Size) {
            if (simContext.getGeometry().getDimension() == 0) {
                // if geometry is compartmental, make sure compartment sizes are set if referenced in model.
                if (smParm.getExpression() == null || smParm.getExpression().isZero()) {
                    throw new MappingException("\nIn non-spatial application '" + getSimulationContext().getName() + "', " + "size of structure '" + structure.getName() + "' must be assigned a " + "positive value if referenced in the model.\n\nPlease go to 'Structure Mapping' tab to check the size.");
                }
            }
            return PARAMETER_SIZE_FUNCTION_PREFIX + nameWithScope;
        } else if (role == StructureMapping.ROLE_AreaPerUnitArea) {
            return "AreaPerUnitArea_" + nameWithScope;
        } else if (role == StructureMapping.ROLE_AreaPerUnitVolume) {
            return "AreaPerUnitVolume_" + nameWithScope;
        } else if (role == StructureMapping.ROLE_VolumePerUnitArea) {
            return "VolumePerUnitArea_" + nameWithScope;
        } else if (role == StructureMapping.ROLE_VolumePerUnitVolume) {
            return "VolumePerUnitVolume_" + nameWithScope;
        }
    }
    // 
    if (ste instanceof SpeciesContext) {
        SpeciesContext sc = (SpeciesContext) ste;
        SpeciesContextMapping scm = getSpeciesContextMapping(sc);
        if (scm == null) {
            throw new RuntimeException("Species '" + sc.getName() + "' is referenced in model but may have been deleted. " + "Find its references in '" + GuiConstants.DOCUMENT_EDITOR_FOLDERNAME_BIOMODEL_PARAMETERS + "'.");
        }
        // 
        if (geometryClass instanceof SubVolume) {
            // 
            if (scm.getVariable() != null && !scm.getVariable().getName().equals(steName)) {
                return scm.getVariable().getName();
            }
        // 
        // for reactions within a surface, may need "_INSIDE" or "_OUTSIDE" for jump condition
        // 
        } else if (geometryClass instanceof SurfaceClass) {
            // 
            // if the speciesContext is also within the surface, replace SpeciesContext name with Variable name
            // 
            StructureMapping sm = simContext.getGeometryContext().getStructureMapping(sc.getStructure());
            if (sm.getGeometryClass() == geometryClass) {
                if (scm.getVariable() != null && !(scm.getVariable().getName().equals(ste.getName()))) {
                    return scm.getVariable().getName();
                }
            // 
            // if the speciesContext is "inside" or "outside" the membrane
            // 
            } else if (sm.getGeometryClass() instanceof SubVolume && ((SurfaceClass) geometryClass).isAdjacentTo((SubVolume) sm.getGeometryClass())) {
                SpeciesContextSpec scs = simContext.getReactionContext().getSpeciesContextSpec(sc);
                if (!scs.isConstant()) {
                    if (!scs.isDiffusing() && !scs.isWellMixed()) {
                        throw new MappingException("Enable diffusion in Application '" + simContext.getName() + "'. This must be done for any species (e.g '" + sc.getName() + "') in flux reactions.\n\n" + "To save or run simulations, set the diffusion rate to a non-zero " + "value in Initial Conditions or disable those reactions in Specifications->Reactions.");
                    }
                }
                if (scm.getVariable() != null) {
                    return scm.getVariable().getName();
                }
            } else {
                throw new MappingException("species '" + sc.getName() + "' interacts with surface '" + geometryClass.getName() + "', but is not mapped spatially adjacent");
            }
        }
    }
    return getNameScope().getSymbolName(ste);
}
Also used : SurfaceClass(cbit.vcell.geometry.SurfaceClass) MembraneElectricalDevice(cbit.vcell.mapping.potential.MembraneElectricalDevice) SpeciesContext(cbit.vcell.model.SpeciesContext) KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter) SubVolume(cbit.vcell.geometry.SubVolume) CompartmentSubVolume(cbit.vcell.geometry.CompartmentSubVolume) Structure(cbit.vcell.model.Structure) ElectricalDevice(cbit.vcell.mapping.potential.ElectricalDevice) MembraneElectricalDevice(cbit.vcell.mapping.potential.MembraneElectricalDevice) ReactionRule(cbit.vcell.model.ReactionRule) RbmObservable(cbit.vcell.model.RbmObservable) StructureSize(cbit.vcell.model.Structure.StructureSize) LocalParameter(cbit.vcell.mapping.ParameterContext.LocalParameter) ModelParameter(cbit.vcell.model.Model.ModelParameter) ProxyParameter(cbit.vcell.model.ProxyParameter) MembraneVoltage(cbit.vcell.model.Membrane.MembraneVoltage)

Example 33 with ModelParameter

use of cbit.vcell.model.Model.ModelParameter in project vcell by virtualcell.

the class AbstractMathMapping method refreshLocalNameCount.

protected void refreshLocalNameCount() {
    localNameCountHash.clear();
    ReactionStep[] reactionSteps = simContext.getModel().getReactionSteps();
    for (int j = 0; j < reactionSteps.length; j++) {
        KineticsParameter[] params = reactionSteps[j].getKinetics().getKineticsParameters();
        for (KineticsParameter kp : params) {
            String name = kp.getName();
            if (localNameCountHash.containsKey(name)) {
                localNameCountHash.put(name, localNameCountHash.get(name) + 1);
            } else {
                localNameCountHash.put(name, 1);
            }
        }
    }
    List<ReactionRule> reactionRules = simContext.getModel().getRbmModelContainer().getReactionRuleList();
    for (ReactionRule reactionRule : reactionRules) {
        LocalParameter[] params = reactionRule.getKineticLaw().getLocalParameters();
        for (LocalParameter kp : params) {
            String name = kp.getName();
            if (localNameCountHash.containsKey(name)) {
                localNameCountHash.put(name, localNameCountHash.get(name) + 1);
            } else {
                localNameCountHash.put(name, 1);
            }
        }
    }
    SpeciesContext[] scs = simContext.getModel().getSpeciesContexts();
    for (SpeciesContext sc : scs) {
        String name = sc.getName();
        if (localNameCountHash.containsKey(name)) {
            localNameCountHash.put(name, localNameCountHash.get(name) + 1);
        } else {
            localNameCountHash.put(name, 1);
        }
    }
    ModelParameter[] mps = simContext.getModel().getModelParameters();
    for (ModelParameter mp : mps) {
        String name = mp.getName();
        if (localNameCountHash.containsKey(name)) {
            localNameCountHash.put(name, localNameCountHash.get(name) + 1);
        } else {
            localNameCountHash.put(name, 1);
        }
    }
}
Also used : ReactionRule(cbit.vcell.model.ReactionRule) SpeciesContext(cbit.vcell.model.SpeciesContext) LocalParameter(cbit.vcell.mapping.ParameterContext.LocalParameter) ModelParameter(cbit.vcell.model.Model.ModelParameter) KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter) ReactionStep(cbit.vcell.model.ReactionStep)

Example 34 with ModelParameter

use of cbit.vcell.model.Model.ModelParameter in project vcell by virtualcell.

the class BioModelParametersPanel method newGlobalButtonPressed.

protected void newGlobalButtonPressed() {
    ModelParameter modelParameter = bioModel.getModel().createModelParameter();
    setTableSelections(new Object[] { modelParameter }, parametersFunctionsTable, parametersFunctionsTableModel);
}
Also used : ModelParameter(cbit.vcell.model.Model.ModelParameter)

Example 35 with ModelParameter

use of cbit.vcell.model.Model.ModelParameter in project vcell by virtualcell.

the class BioModelParametersPanel method deleteButtonPressed.

protected void deleteButtonPressed() {
    try {
        int[] rows = parametersFunctionsTable.getSelectedRows();
        if (rows == null) {
            return;
        }
        String deleteListText = "";
        ArrayList<Parameter> deleteList = new ArrayList<Parameter>();
        for (int r : rows) {
            if (r < parametersFunctionsTableModel.getRowCount()) {
                EditableSymbolTableEntry parameter = parametersFunctionsTableModel.getValueAt(r);
                if (parameter instanceof ModelParameter) {
                    ModelParameter modelParameter = (ModelParameter) parameter;
                    deleteList.add(modelParameter);
                    deleteListText += "\tGlobal Parameter " + modelParameter.getName() + "\n";
                }
                if (parameter instanceof SimulationContextParameter) {
                    SimulationContextParameter simulationContextParameter = (SimulationContextParameter) parameter;
                    deleteList.add(simulationContextParameter);
                    deleteListText += "\tApplication(" + simulationContextParameter.getSimulationContext().getName() + ") Parameter " + simulationContextParameter.getName() + "\n";
                }
            }
        }
        String confirm = PopupGenerator.showOKCancelWarningDialog(this, "Deleting global and/or application parameters", "You are going to delete the following global/application parameter(s):\n\n " + deleteListText + "\n Continue?");
        if (confirm.equals(UserMessage.OPTION_CANCEL)) {
            return;
        }
        for (Parameter param : deleteList) {
            if (param instanceof ModelParameter) {
                bioModel.getModel().removeModelParameter((ModelParameter) param);
            }
            if (param instanceof SimulationContextParameter) {
                SimulationContextParameter simContextParameter = (SimulationContextParameter) param;
                SimulationContext simContext = simContextParameter.getSimulationContext();
                simContext.removeSimulationContextParameter(simContextParameter);
            }
        }
    } catch (Exception ex) {
        ex.printStackTrace();
        DialogUtils.showErrorDialog(this, ex.getMessage());
    }
}
Also used : ModelParameter(cbit.vcell.model.Model.ModelParameter) ArrayList(java.util.ArrayList) Parameter(cbit.vcell.model.Parameter) SimulationContextParameter(cbit.vcell.mapping.SimulationContext.SimulationContextParameter) ModelParameter(cbit.vcell.model.Model.ModelParameter) SimulationContextParameter(cbit.vcell.mapping.SimulationContext.SimulationContextParameter) SimulationContext(cbit.vcell.mapping.SimulationContext) EditableSymbolTableEntry(cbit.vcell.model.EditableSymbolTableEntry)

Aggregations

ModelParameter (cbit.vcell.model.Model.ModelParameter)46 Expression (cbit.vcell.parser.Expression)28 SpeciesContext (cbit.vcell.model.SpeciesContext)25 KineticsParameter (cbit.vcell.model.Kinetics.KineticsParameter)24 Model (cbit.vcell.model.Model)19 ReactionStep (cbit.vcell.model.ReactionStep)19 ExpressionException (cbit.vcell.parser.ExpressionException)16 Structure (cbit.vcell.model.Structure)15 PropertyVetoException (java.beans.PropertyVetoException)14 ModelUnitSystem (cbit.vcell.model.ModelUnitSystem)13 Parameter (cbit.vcell.model.Parameter)12 ArrayList (java.util.ArrayList)12 SpeciesContextSpecParameter (cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)11 VCUnitDefinition (cbit.vcell.units.VCUnitDefinition)11 LocalParameter (cbit.vcell.mapping.ParameterContext.LocalParameter)10 Vector (java.util.Vector)10 SpeciesContextSpec (cbit.vcell.mapping.SpeciesContextSpec)9 BioModel (cbit.vcell.biomodel.BioModel)8 StructureMapping (cbit.vcell.mapping.StructureMapping)8 Kinetics (cbit.vcell.model.Kinetics)8