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Example 16 with ModelUnitSystem

use of cbit.vcell.model.ModelUnitSystem in project vcell by virtualcell.

the class StructureAnalyzer method refreshTotalDependancies.

/**
 * This method was created by a SmartGuide.
 * @param b cbit.vcell.math.Matrix
 * @param vars java.lang.String[]
 */
private void refreshTotalDependancies() throws Exception {
    // 
    for (int v = 0; v < speciesContextMappings.length; v++) {
        speciesContextMappings[v].setDependencyExpression(null);
    }
    if (totalNullSpaceMatrix == null) {
        // System.out.println("the matrix has full rank, there are no dependencies");
        return;
    }
    if (speciesContextMappings.length != totalNullSpaceMatrix.getNumCols()) {
        throw new Exception("varName array not same dimension as b matrix");
    }
    StructureAnalyzer.Dependency[] dependencies = refreshTotalDependancies(totalNullSpaceMatrix, speciesContextMappings, mathMapping, false);
    VCUnitDefinition totalMassUnit = null;
    boolean bIsSpatial = mathMapping.getSimulationContext().getGeometry().getDimension() > 0;
    ModelUnitSystem modelUnitSystem = mathMapping.getSimulationContext().getModel().getUnitSystem();
    if (this instanceof VolumeStructureAnalyzer) {
        if (!bIsSpatial) {
            // VCUnitDefinition.UNIT_umol_um3_per_L; -> VCell vol substance unit
            totalMassUnit = modelUnitSystem.getVolumeSubstanceUnit();
        } else {
            // VCUnitDefinition.UNIT_uM;
            totalMassUnit = modelUnitSystem.getVolumeConcentrationUnit();
        }
    } else if (this instanceof MembraneStructureAnalyzer) {
        if (!bIsSpatial) {
            // VCUnitDefinition.UNIT_molecules;
            totalMassUnit = modelUnitSystem.getMembraneSubstanceUnit();
        } else {
            // VCUnitDefinition.UNIT_molecules_per_um2;
            totalMassUnit = modelUnitSystem.getMembraneConcentrationUnit();
        }
    }
    for (int i = 0; i < dependencies.length; i++) {
        String constantName = dependencies[i].invariantSymbolName;
        Expression constantExp = dependencies[i].conservedMoietyExpression;
        SpeciesContextMapping firstSCM = dependencies[i].speciesContextMapping;
        Expression exp = dependencies[i].dependencyExpression;
        // 
        // store totalMass parameter (e.g. K_xyz_total = xyz_init + wzy_init)
        // 
        GeometryClass geometryClass = mathMapping.getSimulationContext().getGeometryContext().getStructureMapping(firstSCM.getSpeciesContext().getStructure()).getGeometryClass();
        MathMappingParameter totalMassParameter = mathMapping.addMathMappingParameter(constantName, constantExp.flatten(), DiffEquMathMapping.PARAMETER_ROLE_TOTALMASS, totalMassUnit, geometryClass);
        // 
        // store dependency parameter (e.g. xyz = K_xyz_total - wzy)
        // 
        exp.bindExpression(mathMapping);
        firstSCM.setDependencyExpression(exp);
    }
}
Also used : GeometryClass(cbit.vcell.geometry.GeometryClass) VCUnitDefinition(cbit.vcell.units.VCUnitDefinition) Expression(cbit.vcell.parser.Expression) MathMappingParameter(cbit.vcell.mapping.AbstractMathMapping.MathMappingParameter) ModelUnitSystem(cbit.vcell.model.ModelUnitSystem)

Example 17 with ModelUnitSystem

use of cbit.vcell.model.ModelUnitSystem in project vcell by virtualcell.

the class PotentialMapping method determineLumpedEquations.

/**
 * Insert the method's description here.
 * Creation date: (2/20/2002 9:02:42 AM)
 * @return cbit.vcell.mathmodel.MathModel
 * @param circuitGraph cbit.vcell.mapping.potential.Graph
 */
private void determineLumpedEquations(Graph graph, double temperatureKelvin) throws ExpressionException, MatrixException, MappingException, MathException {
    // 
    // traverses graph and calculates RHS expressions for all capacitive devices (dV/dt)
    // 
    // calculate dependent voltages as functions of independent voltages.
    // 
    // 
    Graph[] spanningTrees = graph.getSpanningForest();
    if (!bSilent) {
        System.out.println("spanning tree(s):");
        for (int i = 0; i < spanningTrees.length; i++) {
            System.out.println(i + ") " + spanningTrees[i]);
        }
    }
    Path[] fundamentalCycles = graph.getFundamentalCycles();
    if (!bSilent) {
        System.out.println("fundamental cycles:");
        for (int i = 0; i < fundamentalCycles.length; i++) {
            System.out.println("   " + fundamentalCycles[i]);
        }
    }
    // 
    // print out basic device information
    // 
    fieldEdges = graph.getEdges();
    // 
    if (!bSilent) {
        System.out.println("\n\n applying KVL to <<ALL>> fundamental cycles\n");
    }
    Path[] graphCycles = graph.getFundamentalCycles();
    RationalExpMatrix voltageMatrix = new RationalExpMatrix(graphCycles.length, graph.getNumEdges());
    for (int i = 0; i < graphCycles.length; i++) {
        Edge[] cycleEdges = graphCycles[i].getEdges();
        Node[] nodesTraversed = graphCycles[i].getNodesTraversed();
        Expression exp = new Expression(0.0);
        // 
        for (int j = 0; j < cycleEdges.length; j++) {
            int edgeIndex = graph.getIndex(cycleEdges[j]);
            Expression voltage = new Expression(((ElectricalDevice) cycleEdges[j].getData()).getVoltageSymbol(), fieldMathMapping.getNameScope());
            if (cycleEdges[j].getNode1().equals(nodesTraversed[j])) {
                // going same direction
                exp = Expression.add(exp, voltage);
                voltageMatrix.set_elem(i, edgeIndex, 1);
            } else {
                // going opposite direction
                exp = Expression.add(exp, Expression.negate(voltage));
                voltageMatrix.set_elem(i, edgeIndex, -1);
            }
        }
        if (!bSilent) {
            System.out.println(exp.flatten().infix() + " = 0.0");
        }
    }
    if (!bSilent) {
        voltageMatrix.show();
    }
    if (voltageMatrix.getNumRows() > 0) {
        RationalExpMatrix vPermutationMatrix = new RationalExpMatrix(voltageMatrix.getNumRows(), voltageMatrix.getNumRows());
        voltageMatrix.gaussianElimination(vPermutationMatrix);
        if (!bSilent) {
            System.out.println("reduced matrix");
            voltageMatrix.show();
        }
    } else {
        voltageMatrix = null;
    }
    // 
    // declare dependent voltages as functions of independent voltages
    // 
    // 1) Always use Voltage-Clamps as independent voltages
    // 2) Try to use Capacitive devices as independent voltages
    // 
    // solve for current-clamp voltages and redundant/constrained capacitive voltages as function of (1) and (2).
    // 
    Expression[] dependentVoltageExpressions = new Expression[fieldEdges.length];
    // 
    // make sure assumptions hold regarding edge ordering, otherwise wrong dependent voltages will be selected
    // 
    verifyEdgeOrdering();
    for (int i = 0; voltageMatrix != null && i < voltageMatrix.getNumRows(); i++) {
        // 
        // find first '1.0' element, this column is the next 'dependent' voltage
        // 
        int column = -1;
        for (int j = i; j < voltageMatrix.getNumCols(); j++) {
            RationalExp elem = voltageMatrix.get(i, j);
            if (elem.isConstant() && elem.getConstant().doubleValue() == 1.0) {
                column = j;
                break;
            }
        }
        if (column != -1) {
            // 
            // get electrical device of dependent voltage
            // 
            ElectricalDevice device = (ElectricalDevice) fieldEdges[column].getData();
            // 
            // form dependency expression
            // 
            StringBuffer buffer = new StringBuffer();
            for (int j = column + 1; j < graph.getNumEdges(); j++) {
                if (!voltageMatrix.get_elem(i, j).isZero()) {
                    ElectricalDevice colDevice = (ElectricalDevice) fieldEdges[j].getData();
                    Expression voltage = new Expression(colDevice.getVoltageSymbol(), fieldMathMapping.getNameScope());
                    buffer.append(" + " + voltageMatrix.get(i, j).minus().infixString() + '*' + voltage.infix());
                }
            }
            dependentVoltageExpressions[column] = (new Expression(buffer.toString())).flatten();
            dependentVoltageExpressions[column].bindExpression(device);
            device.setDependentVoltageExpression(dependentVoltageExpressions[column]);
        }
    }
    if (!bSilent) {
        for (int i = 0; i < dependentVoltageExpressions.length; i++) {
            System.out.println("dependentVoltageExpressions[" + i + "] = " + dependentVoltageExpressions[i]);
        }
    }
    // 
    if (!bSilent) {
        System.out.println("\n\nSOLVE FOR TOTAL CURRENTS IN TERMS OF APPLIED CURRENTS");
        System.out.println("\n\n  1)  applying KVL to all fundamental \"capacitive\" and Voltage-clamp cycles (after current-clamp edges are removed)\n");
    }
    Graph capacitorGraph = new Graph();
    for (int i = 0; i < fieldEdges.length; i++) {
        ElectricalDevice device = (ElectricalDevice) fieldEdges[i].getData();
        if (device.hasCapacitance() || device.isVoltageSource()) {
            capacitorGraph.addEdge(fieldEdges[i]);
        }
    }
    Path[] capacitorGraphCycles = capacitorGraph.getFundamentalCycles();
    RationalExpMatrix capacitorGraphVoltageMatrix = new RationalExpMatrix(capacitorGraphCycles.length, graph.getNumEdges());
    for (int i = 0; i < capacitorGraphCycles.length; i++) {
        Edge[] cycleEdges = capacitorGraphCycles[i].getEdges();
        Node[] nodesTraversed = capacitorGraphCycles[i].getNodesTraversed();
        Expression exp = new Expression(0.0);
        // 
        for (int j = 0; j < cycleEdges.length; j++) {
            int edgeIndex = graph.getIndex(cycleEdges[j]);
            Expression voltage = new Expression(((ElectricalDevice) cycleEdges[j].getData()).getVoltageSymbol(), fieldMathMapping.getNameScope());
            if (cycleEdges[j].getNode1().equals(nodesTraversed[j])) {
                // going same direction
                exp = Expression.add(exp, voltage);
                capacitorGraphVoltageMatrix.set_elem(i, edgeIndex, 1);
            } else {
                // going opposite direction
                exp = Expression.add(exp, Expression.negate(voltage));
                capacitorGraphVoltageMatrix.set_elem(i, edgeIndex, -1);
            }
        }
        if (!bSilent) {
            System.out.println(exp.flatten().infix() + " = 0.0");
        }
    }
    if (!bSilent) {
        capacitorGraphVoltageMatrix.show();
    }
    // 
    if (!bSilent) {
        System.out.println("\n\n  2)  applying KCL to all nodes (except one) .. n-1 nodes of full graph  --- CONSERVATION OF TOTAL CURRENT\n");
    }
    Node[] nodes = graph.getNodes();
    RationalExpMatrix kclMatrix = new RationalExpMatrix(graph.getNumNodes() - 1, graph.getNumEdges());
    for (int i = 0; i < nodes.length - 1; i++) {
        if (graph.getDegree(nodes[i]) > 0) {
            Edge[] adjacentEdges = graph.getAdjacentEdges(nodes[i]);
            Expression exp = new Expression(0.0);
            // 
            for (int j = 0; j < adjacentEdges.length; j++) {
                int edgeIndex = graph.getIndex(adjacentEdges[j]);
                Expression totalCurrent = new Expression(((ElectricalDevice) adjacentEdges[j].getData()).getTotalCurrentSymbol(), fieldMathMapping.getNameScope());
                if (adjacentEdges[j].getNode1().equals(nodes[i])) {
                    exp = Expression.add(exp, Expression.negate(totalCurrent));
                    kclMatrix.set_elem(i, edgeIndex, -1);
                } else {
                    exp = Expression.add(exp, totalCurrent);
                    kclMatrix.set_elem(i, edgeIndex, 1);
                }
            }
            if (!bSilent) {
                System.out.println(exp.flatten().infix() + " = 0.0");
            }
        } else {
            throw new MappingException("compartment '" + nodes[i].getName() + "' is electrically isolated, cannot generate ciruit equations for application '" + fieldSimContext.getName() + "'.  \n\nPlease specify electrical properties for all membranes (see Structures tab in Physiology).");
        }
    }
    if (!bSilent) {
        kclMatrix.show();
    }
    // 
    if (!bSilent) {
        System.out.println("\n\n  3)  form total 'current' matrix\n");
    }
    int numNonCapacitiveEdges = 0;
    for (int i = 0; i < fieldEdges.length; i++) {
        ElectricalDevice device = (ElectricalDevice) fieldEdges[i].getData();
        if (!device.hasCapacitance()) {
            numNonCapacitiveEdges++;
        }
    }
    int cmat_rows = kclMatrix.getNumRows() + capacitorGraphVoltageMatrix.getNumRows() + numNonCapacitiveEdges;
    RationalExpMatrix currentMatrix = new RationalExpMatrix(cmat_rows, 3 * graph.getNumEdges());
    // 
    // order edges for current elimination (unknown voltage-clamp currents as well as all total currents).
    // 
    int[] cIndex = new int[fieldEdges.length];
    int ci = 0;
    for (int i = 0; i < fieldEdges.length; i++) {
        if (((ElectricalDevice) fieldEdges[i].getData()).isVoltageSource()) {
            cIndex[ci++] = i;
        }
    }
    for (int i = 0; i < fieldEdges.length; i++) {
        if (!((ElectricalDevice) fieldEdges[i].getData()).isVoltageSource()) {
            cIndex[ci++] = i;
        }
    }
    if (ci != fieldEdges.length) {
        throw new RuntimeException("error computing current indexes");
    }
    if (!bSilent) {
        System.out.println("reordered devices for current matrix elimination");
        for (int i = 0; i < cIndex.length; i++) {
            Expression voltage = new Expression(((ElectricalDevice) fieldEdges[cIndex[i]].getData()).getVoltageSymbol(), fieldMathMapping.getNameScope());
            System.out.println(i + ") = device[" + cIndex[i] + "] = " + voltage.infix());
        }
    }
    int row = 0;
    // 
    for (int i = 0; i < kclMatrix.getNumRows(); i++) {
        for (int j = 0; j < kclMatrix.getNumCols(); j++) {
            // entry for i's
            currentMatrix.set_elem(row, j, kclMatrix.get(i, cIndex[j]));
        }
        row++;
    }
    // 
    for (int i = 0; i < fieldEdges.length; i++) {
        ElectricalDevice device = (ElectricalDevice) fieldEdges[cIndex[i]].getData();
        if (!device.hasCapacitance()) {
            currentMatrix.set_elem(row, i, 1);
            currentMatrix.set_elem(row, i + graph.getNumEdges(), -1);
            row++;
        }
    }
    // 
    // add current terms of (i - F)*1000/C form using KVL relationships from "capacitor graph"
    // 
    ModelUnitSystem modelUnitSystem = fieldMathMapping.getSimulationContext().getModel().getUnitSystem();
    VCUnitDefinition potentialUnit = modelUnitSystem.getVoltageUnit();
    VCUnitDefinition timeUnit = modelUnitSystem.getTimeUnit();
    for (int i = 0; i < capacitorGraphVoltageMatrix.getNumRows(); i++) {
        for (int j = 0; j < capacitorGraphVoltageMatrix.getNumCols(); j++) {
            ElectricalDevice device = (ElectricalDevice) fieldEdges[cIndex[j]].getData();
            RationalExp coefficient = capacitorGraphVoltageMatrix.get(i, cIndex[j]);
            if (device.hasCapacitance()) {
                // 
                // replace dVi/dt  with   1000/Ci * Ii  +  1000/Ci * Fi
                // 
                SymbolTableEntry capacitanceParameter = ((MembraneElectricalDevice) device).getCapacitanceParameter();
                Expression capacitance = new Expression(capacitanceParameter, fieldMathMapping.getNameScope());
                String Cname = capacitance.infix();
                VCUnitDefinition unitFactor = potentialUnit.divideBy(timeUnit).multiplyBy(capacitanceParameter.getUnitDefinition()).divideBy(device.getTotalCurrentSymbol().getUnitDefinition());
                RationalExp unitFactorExp = fieldMathMapping.getUnitFactorAsRationalExp(unitFactor);
                // entry for i's
                currentMatrix.set_elem(row, j, coefficient.mult(unitFactorExp.div(new RationalExp(Cname))));
                // entry for F's
                currentMatrix.set_elem(row, j + graph.getNumEdges(), coefficient.minus().mult(unitFactorExp).div(new RationalExp(Cname)));
            } else if (device.isVoltageSource()) {
                // 
                // directly insert "symbolic" dVi/dt into the new matrix
                // 
                currentMatrix.set_elem(row, j + 2 * graph.getNumEdges(), coefficient);
            }
        }
        row++;
    }
    if (!bSilent) {
        currentMatrix.show();
    }
    if (currentMatrix.getNumRows() > 0) {
        RationalExpMatrix cPermutationMatrix = new RationalExpMatrix(currentMatrix.getNumRows(), currentMatrix.getNumRows());
        currentMatrix.gaussianElimination(cPermutationMatrix);
        if (!bSilent) {
            System.out.println("reduced matrix");
            currentMatrix.show();
        }
    }
    // 
    if (!bSilent) {
        System.out.println("\n\n total currents for each device\n");
    }
    Expression[] totalCurrents = new Expression[fieldEdges.length];
    for (int i = 0; i < fieldEdges.length; i++) {
        ElectricalDevice device = (ElectricalDevice) fieldEdges[cIndex[i]].getData();
        StringBuffer buffer = new StringBuffer("0.0");
        // 
        for (int j = 0; j < graph.getNumEdges(); j++) {
            RationalExp coefficient = currentMatrix.get(i, j + graph.getNumEdges());
            if (!coefficient.isZero()) {
                ElectricalDevice colDevice = (ElectricalDevice) fieldEdges[cIndex[j]].getData();
                Expression source = new Expression(colDevice.getSourceSymbol(), fieldMathMapping.getNameScope());
                buffer.append(" + " + coefficient.minus() + "*" + source.infix());
            }
        }
        // 
        for (int j = 0; j < graph.getNumEdges(); j++) {
            RationalExp coefficient = currentMatrix.get(i, j + 2 * graph.getNumEdges());
            if (!coefficient.isZero()) {
                VoltageClampElectricalDevice colDevice = (VoltageClampElectricalDevice) fieldEdges[cIndex[j]].getData();
                Expression timeDeriv = colDevice.getVoltageClampStimulus().getVoltageParameter().getExpression().differentiate("t");
                timeDeriv = timeDeriv.flatten();
                timeDeriv.bindExpression(colDevice);
                timeDeriv.renameBoundSymbols(colDevice.getNameScope().getParent());
                buffer.append(" + " + coefficient.minus() + "*" + timeDeriv.infix());
            }
        }
        totalCurrents[cIndex[i]] = (new Expression(buffer.toString())).flatten();
        totalCurrents[cIndex[i]].bindExpression(device.getNameScope().getParent().getScopedSymbolTable());
        device.getParameterFromRole(ElectricalDevice.ROLE_TotalCurrent).setExpression(totalCurrents[cIndex[i]]);
    }
    if (!bSilent) {
        for (int i = 0; i < totalCurrents.length; i++) {
            System.out.println("totalCurrents[" + i + "] = " + totalCurrents[cIndex[i]].toString());
        }
    }
    // 
    if (!bSilent) {
        System.out.println("\n\n capacitive currents for each device\n");
    }
    Expression[] capacitiveCurrents = new Expression[fieldEdges.length];
    for (int i = 0; i < fieldEdges.length; i++) {
        ElectricalDevice device = (ElectricalDevice) fieldEdges[i].getData();
        if (device instanceof MembraneElectricalDevice) {
            MembraneElectricalDevice membraneElectricalDevice = (MembraneElectricalDevice) device;
            Expression source = new Expression(membraneElectricalDevice.getSourceSymbol(), fieldMathMapping.getNameScope());
            capacitiveCurrents[i] = Expression.add(totalCurrents[i], Expression.negate(source));
            capacitiveCurrents[i].bindExpression(membraneElectricalDevice);
        // membraneElectricalDevice.setCapacitiveCurrentExpression(capacitiveCurrents[i]);
        } else {
        // device.setCapacitiveCurrentExpression(new Expression(0.0));
        }
    }
    if (!bSilent) {
        for (int i = 0; i < capacitiveCurrents.length; i++) {
            System.out.println("capacitiveCurrents[" + i + "] = " + ((capacitiveCurrents[cIndex[i]] == null) ? "0.0" : capacitiveCurrents[cIndex[i]].infix()));
        }
    }
// 
// display equations for independent voltages.
// 
// if (!bSilent){
// for (int i = 0; i < graph.getNumEdges(); i++){
// ElectricalDevice device = (ElectricalDevice)graph.getEdges()[i].getData();
// //
// // membrane ode
// //
// if (device.hasCapacitance() && dependentVoltageExpressions[i]==null){
// Expression initExp = new Expression(0.0);
// System.out.println(device.getInitialVoltageFunction().getVCML());
// System.out.println((new cbit.vcell.math.OdeEquation(new cbit.vcell.math.VolVariable(device.getVName()),new Expression(device.getInitialVoltageFunction().getName()),new Expression(fieldCapacitiveCurrent[i].flatten().toString()+"*"+cbit.vcell.model.ReservedSymbol.KMILLIVOLTS.getName()+"/"+device.getCapName()))).getVCML());
// }
// //
// // membrane forced potential
// //
// if (device.hasCapacitance() && dependentVoltageExpressions[i]!=null){
// System.out.println((new Function(device.getVName(),dependentVoltageExpressions[i])).getVCML());
// System.out.println((new Function(device.getSourceName(),device.getCurrentSourceExpression()).getVCML()));
// }
// //
// // current clamp
// //
// if (!device.hasCapacitance() && !device.isVoltageSource()){
// System.out.println((new Function(device.getSourceName(),device.getCurrentSourceExpression()).getVCML()));
// System.out.println((new Function(device.getVName(),dependentVoltageExpressions[i])).getVCML());
// }
// //
// // voltage clamp
// //
// if (!device.hasCapacitance() && device.isVoltageSource()){
// System.out.println((new Function(device.getIName(),totalCurrents[i])).getVCML());
// System.out.println((new Function(device.getVName(),device.getInitialVoltageFunction().getExpression())).getVCML());
// }
// }
// }
}
Also used : Path(cbit.util.graph.Path) Node(cbit.util.graph.Node) RationalExp(cbit.vcell.matrix.RationalExp) MappingException(cbit.vcell.mapping.MappingException) VCUnitDefinition(cbit.vcell.units.VCUnitDefinition) SymbolTableEntry(cbit.vcell.parser.SymbolTableEntry) Graph(cbit.util.graph.Graph) RationalExpMatrix(cbit.vcell.matrix.RationalExpMatrix) Expression(cbit.vcell.parser.Expression) Edge(cbit.util.graph.Edge) ModelUnitSystem(cbit.vcell.model.ModelUnitSystem)

Example 18 with ModelUnitSystem

use of cbit.vcell.model.ModelUnitSystem in project vcell by virtualcell.

the class MathMapping_4_8 method refreshMathDescription.

/**
 * This method was created in VisualAge.
 */
private void refreshMathDescription() throws MappingException, MatrixException, MathException, ExpressionException, ModelException {
    // All sizes must be set for new ODE models and ratios must be set for old ones.
    simContext.checkValidity();
    // 
    // temporarily place all variables in a hashtable (before binding) and discarding duplicates (check for equality)
    // 
    VariableHash varHash = new VariableHash();
    StructureMapping[] structureMappings = simContext.getGeometryContext().getStructureMappings();
    Model model = simContext.getModel();
    StructureTopology structTopology = model.getStructureTopology();
    // 
    // verify that all structures are mapped to subvolumes and all subvolumes are mapped to a structure
    // 
    Structure[] structures = simContext.getGeometryContext().getModel().getStructures();
    for (int i = 0; i < structures.length; i++) {
        StructureMapping sm = simContext.getGeometryContext().getStructureMapping(structures[i]);
        if (sm == null || (sm instanceof FeatureMapping && getSubVolume((FeatureMapping) sm) == null)) {
            throw new MappingException("model structure '" + structures[i].getName() + "' not mapped to a geometry subdomain");
        }
        if (sm != null && (sm instanceof MembraneMapping) && ((MembraneMapping) sm).getVolumeFractionParameter() != null) {
            Expression volFractExp = ((MembraneMapping) sm).getVolumeFractionParameter().getExpression();
            if (volFractExp != null) {
                try {
                    double volFract = volFractExp.evaluateConstant();
                    if (volFract >= 1.0) {
                        throw new MappingException("model structure '" + structTopology.getInsideFeature(((MembraneMapping) sm).getMembrane()).getName() + "' has volume fraction >= 1.0");
                    }
                } catch (ExpressionException e) {
                }
            }
        }
    }
    SubVolume[] subVolumes = simContext.getGeometryContext().getGeometry().getGeometrySpec().getSubVolumes();
    for (int i = 0; i < subVolumes.length; i++) {
        if (getStructures(subVolumes[i]) == null || getStructures(subVolumes[i]).length == 0) {
            throw new MappingException("geometry subdomain '" + subVolumes[i].getName() + "' not mapped from a model structure");
        }
    }
    // deals with model parameters
    Hashtable<VolVariable, EventAssignmentInitParameter> eventVolVarHash = new Hashtable<VolVariable, EventAssignmentInitParameter>();
    ModelParameter[] modelParameters = model.getModelParameters();
    if (simContext.getGeometry().getDimension() == 0) {
        // 
        // global parameters from model (that presently are constants)
        // 
        BioEvent[] bioEvents = simContext.getBioEvents();
        ArrayList<SymbolTableEntry> eventAssignTargets = new ArrayList<SymbolTableEntry>();
        if (bioEvents != null && bioEvents.length > 0) {
            for (BioEvent be : bioEvents) {
                for (EventAssignment ea : be.getEventAssignments()) {
                    if (!eventAssignTargets.contains(ea.getTarget())) {
                        eventAssignTargets.add(ea.getTarget());
                    }
                }
            }
        }
        for (int j = 0; j < modelParameters.length; j++) {
            Expression modelParamExpr = getIdentifierSubstitutions(modelParameters[j].getExpression(), modelParameters[j].getUnitDefinition(), null);
            if (eventAssignTargets.contains(modelParameters[j])) {
                EventAssignmentInitParameter eap = null;
                try {
                    eap = addEventAssignmentInitParameter(modelParameters[j].getName(), modelParameters[j].getExpression(), PARAMETER_ROLE_EVENTASSIGN_INITCONDN, modelParameters[j].getUnitDefinition());
                } catch (PropertyVetoException e) {
                    e.printStackTrace(System.out);
                    throw new MappingException(e.getMessage());
                }
                // varHash.addVariable(newFunctionOrConstant(getMathSymbol(eap, null), modelParamExpr));
                VolVariable volVar = new VolVariable(modelParameters[j].getName(), nullDomain);
                varHash.addVariable(volVar);
                eventVolVarHash.put(volVar, eap);
            } else {
                varHash.addVariable(newFunctionOrConstant(getMathSymbol(modelParameters[j], null), modelParamExpr));
            }
        }
    } else {
        // 
        for (int pass = 0; pass < 2; pass++) {
            for (int j = 0; j < modelParameters.length; j++) {
                Hashtable<String, Expression> structMappingVariantsHash = new Hashtable<String, Expression>();
                for (int k = 0; k < structureMappings.length; k++) {
                    String paramVariantName = null;
                    Expression paramVariantExpr = null;
                    if (modelParameters[j].getExpression().getSymbols() == null) {
                        paramVariantName = modelParameters[j].getName();
                        paramVariantExpr = getIdentifierSubstitutions(modelParameters[j].getExpression(), modelParameters[j].getUnitDefinition(), null);
                    } else {
                        paramVariantName = modelParameters[j].getName() + "_" + TokenMangler.fixTokenStrict(structureMappings[k].getStructure().getName());
                        // if the expression has symbols that do not belong in that structureMapping, do not create the variant.
                        Expression exp1 = modelParameters[j].getExpression();
                        Expression flattenedModelParamExpr = substituteGlobalParameters(exp1);
                        String[] symbols = flattenedModelParamExpr.getSymbols();
                        boolean bValid = true;
                        Structure sm_struct = structureMappings[k].getStructure();
                        if (symbols != null) {
                            for (int ii = 0; ii < symbols.length; ii++) {
                                SpeciesContext sc = model.getSpeciesContext(symbols[ii]);
                                if (sc != null) {
                                    // symbol[ii] is a speciesContext, check its structure with structureMapping[k].structure. If they are the same or
                                    // if it is the adjacent membrane(s), allow variant expression to be created. Else, continue.
                                    Structure sp_struct = sc.getStructure();
                                    if (sp_struct.compareEqual(sm_struct)) {
                                        bValid = bValid && true;
                                    } else {
                                        // if the 2 structures are not the same, are they adjacent? then 'bValid' is true, else false.
                                        if ((sm_struct instanceof Feature) && (sp_struct instanceof Membrane)) {
                                            Feature sm_feature = (Feature) sm_struct;
                                            Membrane sp_mem = (Membrane) sp_struct;
                                            if (sp_mem.compareEqual(structTopology.getParentStructure(sm_feature)) || (structTopology.getInsideFeature(sp_mem).compareEqual(sm_feature) || structTopology.getOutsideFeature(sp_mem).compareEqual(sm_feature))) {
                                                bValid = bValid && true;
                                            } else {
                                                bValid = bValid && false;
                                                break;
                                            }
                                        } else if ((sm_struct instanceof Membrane) && (sp_struct instanceof Feature)) {
                                            Feature sp_feature = (Feature) sp_struct;
                                            Membrane sm_mem = (Membrane) sm_struct;
                                            if (sm_mem.compareEqual(structTopology.getParentStructure(sp_feature)) || (structTopology.getInsideFeature(sm_mem).compareEqual(sp_feature) || structTopology.getOutsideFeature(sm_mem).compareEqual(sp_feature))) {
                                                bValid = bValid && true;
                                            } else {
                                                bValid = bValid && false;
                                                break;
                                            }
                                        } else {
                                            bValid = bValid && false;
                                            break;
                                        }
                                    }
                                }
                            }
                        }
                        if (bValid) {
                            if (pass == 0) {
                                paramVariantExpr = new Expression("VCELL_TEMPORARY_EXPRESSION_PLACEHOLDER");
                            } else {
                                paramVariantExpr = getIdentifierSubstitutions(modelParameters[j].getExpression(), modelParameters[j].getUnitDefinition(), structureMappings[k]);
                            }
                        }
                    }
                    if (paramVariantExpr != null) {
                        structMappingVariantsHash.put(paramVariantName, paramVariantExpr);
                    }
                }
                globalParamVariantsHash.put(modelParameters[j], structMappingVariantsHash);
            }
        }
        // 
        for (int j = 0; j < modelParameters.length; j++) {
            if (modelParameters[j].getExpression().getSymbols() == null) {
                varHash.addVariable(newFunctionOrConstant(getMathSymbol(modelParameters[j], null), getIdentifierSubstitutions(modelParameters[j].getExpression(), modelParameters[j].getUnitDefinition(), null)));
            } else {
                Hashtable<String, Expression> smVariantsHash = globalParamVariantsHash.get(modelParameters[j]);
                for (int k = 0; k < structureMappings.length; k++) {
                    String variantName = modelParameters[j].getName() + "_" + TokenMangler.fixTokenStrict(structureMappings[k].getStructure().getName());
                    Expression variantExpr = smVariantsHash.get(variantName);
                    if (variantExpr != null) {
                        varHash.addVariable(newFunctionOrConstant(variantName, variantExpr));
                    }
                }
            }
        }
    }
    // 
    // gather only those reactionSteps that are not "excluded"
    // 
    ReactionSpec[] reactionSpecs = simContext.getReactionContext().getReactionSpecs();
    Vector<ReactionStep> rsList = new Vector<ReactionStep>();
    for (int i = 0; i < reactionSpecs.length; i++) {
        if (reactionSpecs[i].isExcluded() == false) {
            rsList.add(reactionSpecs[i].getReactionStep());
        }
    }
    ReactionStep[] reactionSteps = new ReactionStep[rsList.size()];
    rsList.copyInto(reactionSteps);
    // 
    for (int i = 0; i < reactionSteps.length; i++) {
        Kinetics.UnresolvedParameter[] unresolvedParameters = reactionSteps[i].getKinetics().getUnresolvedParameters();
        if (unresolvedParameters != null && unresolvedParameters.length > 0) {
            StringBuffer buffer = new StringBuffer();
            for (int j = 0; j < unresolvedParameters.length; j++) {
                if (j > 0) {
                    buffer.append(", ");
                }
                buffer.append(unresolvedParameters[j].getName());
            }
            throw new MappingException(reactionSteps[i].getDisplayType() + " '" + reactionSteps[i].getName() + "' contains unresolved identifier(s): " + buffer);
        }
    }
    // 
    // create new MathDescription (based on simContext's previous MathDescription if possible)
    // 
    MathDescription oldMathDesc = simContext.getMathDescription();
    mathDesc = null;
    if (oldMathDesc != null) {
        if (oldMathDesc.getVersion() != null) {
            mathDesc = new MathDescription(oldMathDesc.getVersion());
        } else {
            mathDesc = new MathDescription(oldMathDesc.getName());
        }
    } else {
        mathDesc = new MathDescription(simContext.getName() + "_generated");
    }
    // 
    // volume variables
    // 
    Enumeration<SpeciesContextMapping> enum1 = getSpeciesContextMappings();
    while (enum1.hasMoreElements()) {
        SpeciesContextMapping scm = enum1.nextElement();
        if (scm.getVariable() instanceof VolVariable) {
            if (!(mathDesc.getVariable(scm.getVariable().getName()) instanceof VolVariable)) {
                varHash.addVariable(scm.getVariable());
            }
        }
    }
    // 
    // membrane variables
    // 
    enum1 = getSpeciesContextMappings();
    while (enum1.hasMoreElements()) {
        SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
        if (scm.getVariable() instanceof MemVariable) {
            varHash.addVariable(scm.getVariable());
        }
    }
    varHash.addVariable(new Constant(getMathSymbol(model.getFARADAY_CONSTANT(), null), getIdentifierSubstitutions(model.getFARADAY_CONSTANT().getExpression(), model.getFARADAY_CONSTANT().getUnitDefinition(), null)));
    varHash.addVariable(new Constant(getMathSymbol(model.getFARADAY_CONSTANT_NMOLE(), null), getIdentifierSubstitutions(model.getFARADAY_CONSTANT_NMOLE().getExpression(), model.getFARADAY_CONSTANT_NMOLE().getUnitDefinition(), null)));
    varHash.addVariable(new Constant(getMathSymbol(model.getGAS_CONSTANT(), null), getIdentifierSubstitutions(model.getGAS_CONSTANT().getExpression(), model.getGAS_CONSTANT().getUnitDefinition(), null)));
    varHash.addVariable(new Constant(getMathSymbol(model.getTEMPERATURE(), null), getIdentifierSubstitutions(new Expression(simContext.getTemperatureKelvin()), model.getTEMPERATURE().getUnitDefinition(), null)));
    // 
    // only calculate potential if at least one MembraneMapping has CalculateVoltage == true
    // 
    boolean bCalculatePotential = false;
    for (int i = 0; i < structureMappings.length; i++) {
        if (structureMappings[i] instanceof MembraneMapping) {
            if (((MembraneMapping) structureMappings[i]).getCalculateVoltage()) {
                bCalculatePotential = true;
            }
        }
    }
    // (simContext.getGeometry().getDimension() == 0);
    potentialMapping = new PotentialMapping(simContext, this);
    potentialMapping.computeMath();
    if (bCalculatePotential) {
        // 
        // copy functions for currents and constants for capacitances
        // 
        ElectricalDevice[] devices = potentialMapping.getElectricalDevices();
        for (int j = 0; j < devices.length; j++) {
            if (devices[j] instanceof MembraneElectricalDevice) {
                MembraneElectricalDevice membraneElectricalDevice = (MembraneElectricalDevice) devices[j];
                MembraneMapping memMapping = membraneElectricalDevice.getMembraneMapping();
                Parameter specificCapacitanceParm = memMapping.getParameterFromRole(MembraneMapping.ROLE_SpecificCapacitance);
                varHash.addVariable(new Constant(getMathSymbol(specificCapacitanceParm, memMapping), getIdentifierSubstitutions(specificCapacitanceParm.getExpression(), specificCapacitanceParm.getUnitDefinition(), memMapping)));
                ElectricalDevice.ElectricalDeviceParameter transmembraneCurrentParm = membraneElectricalDevice.getParameterFromRole(ElectricalDevice.ROLE_TransmembraneCurrent);
                ElectricalDevice.ElectricalDeviceParameter totalCurrentParm = membraneElectricalDevice.getParameterFromRole(ElectricalDevice.ROLE_TotalCurrent);
                ElectricalDevice.ElectricalDeviceParameter capacitanceParm = membraneElectricalDevice.getParameterFromRole(ElectricalDevice.ROLE_Capacitance);
                if (totalCurrentParm != null && /* totalCurrentDensityParm.getExpression()!=null && */
                memMapping.getCalculateVoltage()) {
                    Expression totalCurrentDensityExp = (totalCurrentParm.getExpression() != null) ? (totalCurrentParm.getExpression()) : (new Expression(0.0));
                    varHash.addVariable(newFunctionOrConstant(getMathSymbol(totalCurrentParm, membraneElectricalDevice.getMembraneMapping()), getIdentifierSubstitutions(totalCurrentDensityExp, totalCurrentParm.getUnitDefinition(), membraneElectricalDevice.getMembraneMapping())));
                }
                if (transmembraneCurrentParm != null && transmembraneCurrentParm.getExpression() != null && memMapping.getCalculateVoltage()) {
                    varHash.addVariable(newFunctionOrConstant(getMathSymbol(transmembraneCurrentParm, membraneElectricalDevice.getMembraneMapping()), getIdentifierSubstitutions(transmembraneCurrentParm.getExpression(), transmembraneCurrentParm.getUnitDefinition(), membraneElectricalDevice.getMembraneMapping())));
                }
                if (capacitanceParm != null && capacitanceParm.getExpression() != null && memMapping.getCalculateVoltage()) {
                    StructureMappingParameter sizeParameter = membraneElectricalDevice.getMembraneMapping().getSizeParameter();
                    if (simContext.getGeometry().getDimension() == 0 && (sizeParameter.getExpression() == null || sizeParameter.getExpression().isZero())) {
                        varHash.addVariable(newFunctionOrConstant(getMathSymbol(capacitanceParm, membraneElectricalDevice.getMembraneMapping()), getIdentifierSubstitutions(Expression.mult(memMapping.getNullSizeParameterValue(), specificCapacitanceParm.getExpression()), capacitanceParm.getUnitDefinition(), membraneElectricalDevice.getMembraneMapping())));
                    } else {
                        varHash.addVariable(newFunctionOrConstant(getMathSymbol(capacitanceParm, membraneElectricalDevice.getMembraneMapping()), getIdentifierSubstitutions(capacitanceParm.getExpression(), capacitanceParm.getUnitDefinition(), membraneElectricalDevice.getMembraneMapping())));
                    }
                }
                // 
                if (membraneElectricalDevice.getDependentVoltageExpression() == null) {
                    // is Voltage Independent?
                    StructureMapping.StructureMappingParameter initialVoltageParm = memMapping.getInitialVoltageParameter();
                    varHash.addVariable(newFunctionOrConstant(getMathSymbol(initialVoltageParm, memMapping), getIdentifierSubstitutions(initialVoltageParm.getExpression(), initialVoltageParm.getUnitDefinition(), memMapping)));
                } else // 
                // membrane forced potential
                // 
                {
                    varHash.addVariable(newFunctionOrConstant(getMathSymbol(memMapping.getMembrane().getMembraneVoltage(), memMapping), getIdentifierSubstitutions(membraneElectricalDevice.getDependentVoltageExpression(), memMapping.getMembrane().getMembraneVoltage().getUnitDefinition(), memMapping)));
                }
            } else if (devices[j] instanceof CurrentClampElectricalDevice) {
                CurrentClampElectricalDevice currentClampDevice = (CurrentClampElectricalDevice) devices[j];
                // total current = current source (no capacitance)
                Parameter totalCurrentParm = currentClampDevice.getParameterFromRole(CurrentClampElectricalDevice.ROLE_TotalCurrent);
                Parameter currentParm = currentClampDevice.getParameterFromRole(CurrentClampElectricalDevice.ROLE_TransmembraneCurrent);
                // Parameter dependentVoltage = currentClampDevice.getCurrentClampStimulus().getVoltageParameter();
                varHash.addVariable(newFunctionOrConstant(getMathSymbol(totalCurrentParm, null), getIdentifierSubstitutions(totalCurrentParm.getExpression(), totalCurrentParm.getUnitDefinition(), null)));
                varHash.addVariable(newFunctionOrConstant(getMathSymbol(currentParm, null), getIdentifierSubstitutions(currentParm.getExpression(), currentParm.getUnitDefinition(), null)));
                // varHash.addVariable(newFunctionOrConstant(getMathSymbol(dependentVoltage,null),getIdentifierSubstitutions(currentClampDevice.getDependentVoltageExpression(),dependentVoltage.getUnitDefinition(),null)));
                // 
                // add user-defined parameters
                // 
                ElectricalDevice.ElectricalDeviceParameter[] parameters = currentClampDevice.getParameters();
                for (int k = 0; k < parameters.length; k++) {
                    if (parameters[k].getExpression() != null) {
                        // guards against voltage parameters that are "variable".
                        varHash.addVariable(newFunctionOrConstant(getMathSymbol(parameters[k], null), getIdentifierSubstitutions(parameters[k].getExpression(), parameters[k].getUnitDefinition(), null)));
                    }
                }
            } else if (devices[j] instanceof VoltageClampElectricalDevice) {
                VoltageClampElectricalDevice voltageClampDevice = (VoltageClampElectricalDevice) devices[j];
                // total current = current source (no capacitance)
                Parameter totalCurrent = voltageClampDevice.getParameterFromRole(VoltageClampElectricalDevice.ROLE_TotalCurrent);
                Parameter totalCurrentParm = voltageClampDevice.getParameterFromRole(VoltageClampElectricalDevice.ROLE_TotalCurrent);
                Parameter voltageParm = voltageClampDevice.getParameterFromRole(VoltageClampElectricalDevice.ROLE_Voltage);
                varHash.addVariable(newFunctionOrConstant(getMathSymbol(totalCurrent, null), getIdentifierSubstitutions(totalCurrent.getExpression(), totalCurrent.getUnitDefinition(), null)));
                varHash.addVariable(newFunctionOrConstant(getMathSymbol(totalCurrentParm, null), getIdentifierSubstitutions(totalCurrentParm.getExpression(), totalCurrentParm.getUnitDefinition(), null)));
                varHash.addVariable(newFunctionOrConstant(getMathSymbol(voltageParm, null), getIdentifierSubstitutions(voltageParm.getExpression(), voltageParm.getUnitDefinition(), null)));
                // 
                // add user-defined parameters
                // 
                ElectricalDevice.ElectricalDeviceParameter[] parameters = voltageClampDevice.getParameters();
                for (int k = 0; k < parameters.length; k++) {
                    if (parameters[k].getRole() == ElectricalDevice.ROLE_UserDefined) {
                        varHash.addVariable(newFunctionOrConstant(getMathSymbol(parameters[k], null), getIdentifierSubstitutions(parameters[k].getExpression(), parameters[k].getUnitDefinition(), null)));
                    }
                }
            }
        }
    } else {
        // 
        for (int j = 0; j < structureMappings.length; j++) {
            if (structureMappings[j] instanceof MembraneMapping) {
                MembraneMapping memMapping = (MembraneMapping) structureMappings[j];
                varHash.addVariable(newFunctionOrConstant(getMathSymbol(memMapping.getMembrane().getMembraneVoltage(), memMapping), getIdentifierSubstitutions(memMapping.getInitialVoltageParameter().getExpression(), memMapping.getInitialVoltageParameter().getUnitDefinition(), memMapping)));
            }
        }
    }
    // 
    for (int j = 0; j < structureMappings.length; j++) {
        if (structureMappings[j] instanceof MembraneMapping) {
            MembraneMapping membraneMapping = (MembraneMapping) structureMappings[j];
            Membrane.MembraneVoltage membraneVoltage = membraneMapping.getMembrane().getMembraneVoltage();
            ElectricalDevice[] membraneDevices = potentialMapping.getElectricalDevices(membraneMapping.getMembrane());
            // ElectricalDevice membraneDevice = null;
            for (int i = 0; i < membraneDevices.length; i++) {
                if (membraneDevices[i].hasCapacitance() && membraneDevices[i].getDependentVoltageExpression() == null) {
                    if (membraneMapping.getCalculateVoltage() && bCalculatePotential) {
                        if (getResolved(membraneMapping)) {
                            // 
                            if (mathDesc.getVariable(Membrane.MEMBRANE_VOLTAGE_REGION_NAME) == null) {
                                // varHash.addVariable(new MembraneRegionVariable(MembraneVoltage.MEMBRANE_VOLTAGE_REGION_NAME));
                                varHash.addVariable(new MembraneRegionVariable(getMathSymbol(membraneVoltage, membraneMapping), nullDomain));
                            }
                        } else {
                            // 
                            // spatially unresolved membrane, and must solve for potential ... make VolVariable for this compartment
                            // 
                            varHash.addVariable(new VolVariable(getMathSymbol(membraneVoltage, membraneMapping), nullDomain));
                        }
                        Parameter initialVoltageParm = membraneMapping.getInitialVoltageParameter();
                        Variable initVoltageFunction = newFunctionOrConstant(getMathSymbol(initialVoltageParm, membraneMapping), getIdentifierSubstitutions(initialVoltageParm.getExpression(), initialVoltageParm.getUnitDefinition(), membraneMapping));
                        varHash.addVariable(initVoltageFunction);
                    } else {
                        // 
                        // don't calculate voltage, still may need it though
                        // 
                        Parameter initialVoltageParm = membraneMapping.getInitialVoltageParameter();
                        Variable voltageFunction = newFunctionOrConstant(getMathSymbol(membraneMapping.getMembrane().getMembraneVoltage(), membraneMapping), getIdentifierSubstitutions(initialVoltageParm.getExpression(), initialVoltageParm.getUnitDefinition(), membraneMapping));
                        varHash.addVariable(voltageFunction);
                    }
                }
            }
        }
    }
    // 
    for (int j = 0; j < reactionSteps.length; j++) {
        ReactionStep rs = reactionSteps[j];
        if (simContext.getReactionContext().getReactionSpec(rs).isExcluded()) {
            continue;
        }
        Kinetics.KineticsParameter[] parameters = rs.getKinetics().getKineticsParameters();
        StructureMapping sm = simContext.getGeometryContext().getStructureMapping(rs.getStructure());
        if (parameters != null) {
            for (int i = 0; i < parameters.length; i++) {
                if (((parameters[i].getRole() == Kinetics.ROLE_CurrentDensity) || (parameters[i].getRole() == Kinetics.ROLE_LumpedCurrent)) && (parameters[i].getExpression() == null || parameters[i].getExpression().isZero())) {
                    continue;
                }
                varHash.addVariable(newFunctionOrConstant(getMathSymbol(parameters[i], sm), getIdentifierSubstitutions(parameters[i].getExpression(), parameters[i].getUnitDefinition(), sm)));
            }
        }
    }
    // 
    // initial constants (either function or constant)
    // 
    SpeciesContextSpec[] speciesContextSpecs = simContext.getReactionContext().getSpeciesContextSpecs();
    for (int i = 0; i < speciesContextSpecs.length; i++) {
        SpeciesContextSpecParameter initParm = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration);
        if (initParm != null) {
            Expression initExpr = new Expression(initParm.getExpression());
            StructureMapping sm = simContext.getGeometryContext().getStructureMapping(speciesContextSpecs[i].getSpeciesContext().getStructure());
            String[] symbols = initExpr.getSymbols();
            // Check if 'initExpr' has other speciesContexts in its expression, need to replace it with 'spContext_init'
            for (int j = 0; symbols != null && j < symbols.length; j++) {
                // if symbol is a speciesContext, replacing it with a reference to initial condition for that speciesContext.
                SpeciesContext spC = null;
                SymbolTableEntry ste = initExpr.getSymbolBinding(symbols[j]);
                if (ste instanceof SpeciesContextSpecProxyParameter) {
                    SpeciesContextSpecProxyParameter spspp = (SpeciesContextSpecProxyParameter) ste;
                    if (spspp.getTarget() instanceof SpeciesContext) {
                        spC = (SpeciesContext) spspp.getTarget();
                        SpeciesContextSpec spcspec = simContext.getReactionContext().getSpeciesContextSpec(spC);
                        SpeciesContextSpecParameter spCInitParm = spcspec.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration);
                        // if initConc param expression is null, try initCount
                        if (spCInitParm.getExpression() == null) {
                            spCInitParm = spcspec.getParameterFromRole(SpeciesContextSpec.ROLE_InitialCount);
                        }
                        // need to get init condn expression, but can't get it from getMathSymbol() (mapping between bio and math), hence get it as below.
                        Expression scsInitExpr = new Expression(spCInitParm, getNameScope());
                        // scsInitExpr.bindExpression(this);
                        initExpr.substituteInPlace(new Expression(spC.getName()), scsInitExpr);
                    }
                }
            }
            // now create the appropriate function for the current speciesContextSpec.
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(initParm, sm), getIdentifierSubstitutions(initExpr, initParm.getUnitDefinition(), sm)));
        }
    }
    // 
    for (int i = 0; i < speciesContextSpecs.length; i++) {
        SpeciesContextMapping scm = getSpeciesContextMapping(speciesContextSpecs[i].getSpeciesContext());
        SpeciesContextSpec.SpeciesContextSpecParameter diffParm = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_DiffusionRate);
        if (diffParm != null && (scm.isPDERequired())) {
            StructureMapping sm = simContext.getGeometryContext().getStructureMapping(speciesContextSpecs[i].getSpeciesContext().getStructure());
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(diffParm, sm), getIdentifierSubstitutions(diffParm.getExpression(), diffParm.getUnitDefinition(), sm)));
        }
    }
    // 
    for (int i = 0; i < speciesContextSpecs.length; i++) {
        SpeciesContextSpec.SpeciesContextSpecParameter bc_xm = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_BoundaryValueXm);
        StructureMapping sm = simContext.getGeometryContext().getStructureMapping(speciesContextSpecs[i].getSpeciesContext().getStructure());
        if (bc_xm != null && (bc_xm.getExpression() != null)) {
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(bc_xm, sm), getIdentifierSubstitutions(bc_xm.getExpression(), bc_xm.getUnitDefinition(), sm)));
        }
        SpeciesContextSpec.SpeciesContextSpecParameter bc_xp = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_BoundaryValueXp);
        if (bc_xp != null && (bc_xp.getExpression() != null)) {
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(bc_xp, sm), getIdentifierSubstitutions(bc_xp.getExpression(), bc_xp.getUnitDefinition(), sm)));
        }
        SpeciesContextSpec.SpeciesContextSpecParameter bc_ym = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_BoundaryValueYm);
        if (bc_ym != null && (bc_ym.getExpression() != null)) {
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(bc_ym, sm), getIdentifierSubstitutions(bc_ym.getExpression(), bc_ym.getUnitDefinition(), sm)));
        }
        SpeciesContextSpec.SpeciesContextSpecParameter bc_yp = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_BoundaryValueYp);
        if (bc_yp != null && (bc_yp.getExpression() != null)) {
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(bc_yp, sm), getIdentifierSubstitutions(bc_yp.getExpression(), bc_yp.getUnitDefinition(), sm)));
        }
        SpeciesContextSpec.SpeciesContextSpecParameter bc_zm = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_BoundaryValueZm);
        if (bc_zm != null && (bc_zm.getExpression() != null)) {
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(bc_zm, sm), getIdentifierSubstitutions(bc_zm.getExpression(), bc_zm.getUnitDefinition(), sm)));
        }
        SpeciesContextSpec.SpeciesContextSpecParameter bc_zp = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_BoundaryValueZp);
        if (bc_zp != null && (bc_zp.getExpression() != null)) {
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(bc_zp, sm), getIdentifierSubstitutions(bc_zp.getExpression(), bc_zp.getUnitDefinition(), sm)));
        }
    }
    // 
    for (int i = 0; i < speciesContextSpecs.length; i++) {
        SpeciesContextSpec.SpeciesContextSpecParameter advection_velX = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_VelocityX);
        StructureMapping sm = simContext.getGeometryContext().getStructureMapping(speciesContextSpecs[i].getSpeciesContext().getStructure());
        if (advection_velX != null && (advection_velX.getExpression() != null)) {
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(advection_velX, sm), getIdentifierSubstitutions(advection_velX.getExpression(), advection_velX.getUnitDefinition(), sm)));
        }
        SpeciesContextSpec.SpeciesContextSpecParameter advection_velY = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_VelocityY);
        if (advection_velY != null && (advection_velY.getExpression() != null)) {
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(advection_velY, sm), getIdentifierSubstitutions(advection_velY.getExpression(), advection_velY.getUnitDefinition(), sm)));
        }
        SpeciesContextSpec.SpeciesContextSpecParameter advection_velZ = speciesContextSpecs[i].getParameterFromRole(SpeciesContextSpec.ROLE_VelocityZ);
        if (advection_velZ != null && (advection_velZ.getExpression() != null)) {
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(advection_velZ, sm), getIdentifierSubstitutions(advection_velZ.getExpression(), advection_velZ.getUnitDefinition(), sm)));
        }
    }
    // 
    // constant species (either function or constant)
    // 
    enum1 = getSpeciesContextMappings();
    while (enum1.hasMoreElements()) {
        SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
        if (scm.getVariable() instanceof Constant) {
            varHash.addVariable(scm.getVariable());
        }
    }
    // 
    // conversion factors
    // 
    varHash.addVariable(new Constant(getMathSymbol(model.getKMOLE(), null), getIdentifierSubstitutions(model.getKMOLE().getExpression(), model.getKMOLE().getUnitDefinition(), null)));
    varHash.addVariable(new Constant(model.getN_PMOLE().getName(), getIdentifierSubstitutions(model.getN_PMOLE().getExpression(), model.getN_PMOLE().getUnitDefinition(), null)));
    varHash.addVariable(new Constant(model.getKMILLIVOLTS().getName(), getIdentifierSubstitutions(model.getKMILLIVOLTS().getExpression(), model.getKMILLIVOLTS().getUnitDefinition(), null)));
    varHash.addVariable(new Constant(model.getK_GHK().getName(), getIdentifierSubstitutions(model.getK_GHK().getExpression(), model.getK_GHK().getUnitDefinition(), null)));
    // 
    // geometric functions
    // 
    ModelUnitSystem modelUnitSystem = simContext.getModel().getUnitSystem();
    VCUnitDefinition lengthInverseUnit = modelUnitSystem.getLengthUnit().getInverse();
    for (int i = 0; i < structureMappings.length; i++) {
        StructureMapping sm = structureMappings[i];
        Parameter parm = sm.getParameterFromRole(StructureMapping.ROLE_VolumeFraction);
        if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SubVolume) {
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm)));
        }
        parm = sm.getParameterFromRole(StructureMapping.ROLE_SurfaceToVolumeRatio);
        if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SubVolume) {
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm)));
        }
        if (sm instanceof MembraneMapping && !getResolved(sm)) {
            MembraneMapping mm = (MembraneMapping) sm;
            parm = ((MembraneMapping) sm).getVolumeFractionParameter();
            if (parm.getExpression() == null) {
                throw new MappingException("volume fraction not specified for feature '" + structTopology.getInsideFeature(mm.getMembrane()).getName() + "', please refer to Structure Mapping in Application '" + simContext.getName() + "'");
            }
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), modelUnitSystem.getInstance_DIMENSIONLESS(), sm)));
            parm = mm.getSurfaceToVolumeParameter();
            if (parm.getExpression() == null) {
                throw new MappingException("surface to volume ratio not specified for membrane '" + mm.getMembrane().getName() + "', please refer to Structure Mapping in Application '" + simContext.getName() + "'");
            }
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), lengthInverseUnit, sm)));
        }
        StructureMappingParameter sizeParm = sm.getSizeParameter();
        if (sizeParm != null) {
            if (simContext.getGeometry().getDimension() == 0) {
                if (sizeParm.getExpression() != null) {
                    try {
                        double value = sizeParm.getExpression().evaluateConstant();
                        varHash.addVariable(new Constant(getMathSymbol(sizeParm, sm), new Expression(value)));
                    } catch (ExpressionException e) {
                        // varHash.addVariable(new Function(getMathSymbol(parm,sm),getIdentifierSubstitutions(parm.getExpression(),parm.getUnitDefinition(),sm)));
                        e.printStackTrace(System.out);
                        throw new MappingException("Size of structure:" + sm.getNameScope().getName() + " cannot be evaluated as constant.");
                    }
                }
            } else {
                String compartmentName = null;
                VCUnitDefinition sizeUnit = sm.getSizeParameter().getUnitDefinition();
                String sizeFunctionName = null;
                if (sm instanceof MembraneMapping) {
                    MembraneMapping mm = (MembraneMapping) sm;
                    if (getResolved(mm)) {
                        FeatureMapping fm_inside = (FeatureMapping) simContext.getGeometryContext().getStructureMapping(structTopology.getInsideFeature(mm.getMembrane()));
                        FeatureMapping fm_outside = (FeatureMapping) simContext.getGeometryContext().getStructureMapping(structTopology.getOutsideFeature(mm.getMembrane()));
                        compartmentName = getSubVolume(fm_inside).getName() + "_" + getSubVolume(fm_outside).getName();
                        sizeFunctionName = MathFunctionDefinitions.Function_regionArea_current.getFunctionName();
                    } else {
                        FeatureMapping fm_inside = (FeatureMapping) simContext.getGeometryContext().getStructureMapping(structTopology.getInsideFeature(mm.getMembrane()));
                        FeatureMapping fm_outside = (FeatureMapping) simContext.getGeometryContext().getStructureMapping(structTopology.getOutsideFeature(mm.getMembrane()));
                        if (getSubVolume(fm_inside) == getSubVolume(fm_outside)) {
                            compartmentName = getSubVolume(fm_inside).getName();
                            sizeFunctionName = MathFunctionDefinitions.Function_regionVolume_current.getFunctionName();
                        } else {
                            throw new RuntimeException("unexpected structure mapping for membrane '" + mm.getMembrane().getName() + "'");
                        }
                    }
                } else if (sm instanceof FeatureMapping) {
                    FeatureMapping fm = (FeatureMapping) sm;
                    compartmentName = getSubVolume(fm).getName();
                    sizeFunctionName = MathFunctionDefinitions.Function_regionVolume_current.getFunctionName();
                } else {
                    throw new RuntimeException("structure mapping " + sm.getClass().getName() + " not yet supported");
                }
                Expression totalVolumeCorrection = sm.getStructureSizeCorrection(simContext, this);
                Expression sizeFunctionExpression = Expression.function(sizeFunctionName, new Expression[] { new Expression("'" + compartmentName + "'") });
                sizeFunctionExpression.bindExpression(mathDesc);
                varHash.addVariable(newFunctionOrConstant(getMathSymbol(sizeParm, sm), getIdentifierSubstitutions(Expression.mult(totalVolumeCorrection, sizeFunctionExpression), sizeUnit, sm)));
                parm = sm.getParameterFromRole(StructureMapping.ROLE_AreaPerUnitArea);
                if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SurfaceClass) {
                    varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm)));
                }
                parm = sm.getParameterFromRole(StructureMapping.ROLE_AreaPerUnitVolume);
                if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SubVolume) {
                    varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm)));
                }
                parm = sm.getParameterFromRole(StructureMapping.ROLE_VolumePerUnitArea);
                if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SurfaceClass) {
                    varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm)));
                }
                parm = sm.getParameterFromRole(StructureMapping.ROLE_VolumePerUnitVolume);
                if (parm != null && parm.getExpression() != null && sm.getGeometryClass() instanceof SubVolume) {
                    varHash.addVariable(newFunctionOrConstant(getMathSymbol(parm, sm), getIdentifierSubstitutions(parm.getExpression(), parm.getUnitDefinition(), sm)));
                }
            }
        }
    }
    // 
    for (int i = 0; i < fieldMathMappingParameters.length; i++) {
        varHash.addVariable(newFunctionOrConstant(getMathSymbol(fieldMathMappingParameters[i], null), getIdentifierSubstitutions(fieldMathMappingParameters[i].getExpression(), fieldMathMappingParameters[i].getUnitDefinition(), null)));
    }
    // 
    // functions
    // 
    enum1 = getSpeciesContextMappings();
    while (enum1.hasMoreElements()) {
        SpeciesContextMapping scm = (SpeciesContextMapping) enum1.nextElement();
        if (scm.getVariable() == null && scm.getDependencyExpression() != null) {
            StructureMapping sm = simContext.getGeometryContext().getStructureMapping(scm.getSpeciesContext().getStructure());
            varHash.addVariable(newFunctionOrConstant(getMathSymbol(scm.getSpeciesContext(), sm), getIdentifierSubstitutions(scm.getDependencyExpression(), scm.getSpeciesContext().getUnitDefinition(), sm)));
        }
    }
    // 
    // set Variables to MathDescription all at once with the order resolved by "VariableHash"
    // 
    mathDesc.setAllVariables(varHash.getAlphabeticallyOrderedVariables());
    // 
    if (simContext.getGeometryContext().getGeometry() != null) {
        try {
            mathDesc.setGeometry(simContext.getGeometryContext().getGeometry());
        } catch (java.beans.PropertyVetoException e) {
            e.printStackTrace(System.out);
            throw new MappingException("failure setting geometry " + e.getMessage());
        }
    } else {
        throw new MappingException("geometry must be defined");
    }
    // 
    // volume subdomains
    // 
    subVolumes = simContext.getGeometryContext().getGeometry().getGeometrySpec().getSubVolumes();
    VCUnitDefinition timeUnit = modelUnitSystem.getTimeUnit();
    for (int j = 0; j < subVolumes.length; j++) {
        SubVolume subVolume = (SubVolume) subVolumes[j];
        // 
        // get priority of subDomain
        // 
        int priority;
        Feature spatialFeature = getResolvedFeature(subVolume);
        if (spatialFeature == null) {
            if (simContext.getGeometryContext().getGeometry().getDimension() > 0) {
                throw new MappingException("no compartment (in Physiology) is mapped to subdomain '" + subVolume.getName() + "' (in Geometry)");
            } else {
                priority = CompartmentSubDomain.NON_SPATIAL_PRIORITY;
            }
        } else {
            // now does not have to match spatial feature, *BUT* needs to be unique
            priority = j;
        }
        // 
        // create subDomain
        // 
        CompartmentSubDomain subDomain = new CompartmentSubDomain(subVolume.getName(), priority);
        mathDesc.addSubDomain(subDomain);
        // 
        if (spatialFeature != null) {
            FeatureMapping fm = (FeatureMapping) simContext.getGeometryContext().getStructureMapping(spatialFeature);
            subDomain.setBoundaryConditionXm(fm.getBoundaryConditionTypeXm());
            subDomain.setBoundaryConditionXp(fm.getBoundaryConditionTypeXp());
            if (simContext.getGeometry().getDimension() > 1) {
                subDomain.setBoundaryConditionYm(fm.getBoundaryConditionTypeYm());
                subDomain.setBoundaryConditionYp(fm.getBoundaryConditionTypeYp());
            }
            if (simContext.getGeometry().getDimension() > 2) {
                subDomain.setBoundaryConditionZm(fm.getBoundaryConditionTypeZm());
                subDomain.setBoundaryConditionZp(fm.getBoundaryConditionTypeZp());
            }
        }
        // 
        // create equations
        // 
        VolumeStructureAnalyzer structureAnalyzer = getVolumeStructureAnalyzer(subVolume);
        Enumeration<SpeciesContextMapping> enumSCM = getSpeciesContextMappings();
        while (enumSCM.hasMoreElements()) {
            SpeciesContextMapping scm = enumSCM.nextElement();
            // 
            if (scm.getVariable() instanceof VolVariable && scm.getDependencyExpression() == null) {
                SpeciesContext sc = scm.getSpeciesContext();
                StructureMapping sm = simContext.getGeometryContext().getStructureMapping(sc.getStructure());
                SpeciesContextSpec scs = simContext.getReactionContext().getSpeciesContextSpec(sc);
                VolVariable variable = (VolVariable) scm.getVariable();
                Equation equation = null;
                if ((scm.isPDERequired()) && sm instanceof FeatureMapping) {
                    // 
                    if (getSubVolume((FeatureMapping) sm) == subVolume) {
                        // 
                        // species context belongs to this subDomain
                        // 
                        Expression initial = new Expression(getMathSymbol(scs.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration), sm));
                        Expression rate = getIdentifierSubstitutions(scm.getRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), simContext.getGeometryContext().getStructureMapping(sc.getStructure()));
                        Expression diffusion = new Expression(getMathSymbol(scs.getDiffusionParameter(), sm));
                        equation = new PdeEquation(variable, initial, rate, diffusion);
                        ((PdeEquation) equation).setBoundaryXm((scs.getBoundaryXmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryXmParameter(), sm)));
                        ((PdeEquation) equation).setBoundaryXp((scs.getBoundaryXpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryXpParameter(), sm)));
                        ((PdeEquation) equation).setBoundaryYm((scs.getBoundaryYmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryYmParameter(), sm)));
                        ((PdeEquation) equation).setBoundaryYp((scs.getBoundaryYpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryYpParameter(), sm)));
                        ((PdeEquation) equation).setBoundaryZm((scs.getBoundaryZmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryZmParameter(), sm)));
                        ((PdeEquation) equation).setBoundaryZp((scs.getBoundaryZpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryZpParameter(), sm)));
                        ((PdeEquation) equation).setVelocityX((scs.getVelocityXParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getVelocityXParameter(), sm)));
                        ((PdeEquation) equation).setVelocityY((scs.getVelocityYParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getVelocityYParameter(), sm)));
                        ((PdeEquation) equation).setVelocityZ((scs.getVelocityZParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getVelocityZParameter(), sm)));
                        subDomain.replaceEquation(equation);
                    } else {
                        Expression initial = new Expression(0.0);
                        Expression rate = new Expression(0.0);
                        Expression diffusion = new Expression(getMathSymbol(scs.getDiffusionParameter(), sm));
                        equation = new PdeEquation(variable, initial, rate, diffusion);
                        if (subDomain.getEquation(variable) == null) {
                            subDomain.addEquation(equation);
                        }
                    }
                } else {
                    // 
                    // ODE
                    // 
                    SubVolume mappedSubVolume = null;
                    if (sm instanceof FeatureMapping) {
                        mappedSubVolume = getSubVolume((FeatureMapping) sm);
                    } else if (sm instanceof MembraneMapping) {
                        // membrane is mapped to that of the inside feature
                        FeatureMapping featureMapping = (FeatureMapping) simContext.getGeometryContext().getStructureMapping(structTopology.getInsideFeature((Membrane) sm.getStructure()));
                        mappedSubVolume = getSubVolume(featureMapping);
                    }
                    if (mappedSubVolume == subVolume) {
                        // 
                        // species context belongs to this subDomain
                        // 
                        Expression initial = new Expression(getMathSymbol(scs.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration), null));
                        Expression rate = (scm.getRate() == null) ? new Expression(0.0) : getIdentifierSubstitutions(scm.getRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), simContext.getGeometryContext().getStructureMapping(sc.getStructure()));
                        equation = new OdeEquation(variable, initial, rate);
                        subDomain.replaceEquation(equation);
                    } else {
                        Expression initial = new Expression(0.0);
                        Expression rate = new Expression(0.0);
                        equation = new OdeEquation(variable, initial, rate);
                        if (subDomain.getEquation(variable) == null) {
                            subDomain.addEquation(equation);
                        }
                    }
                }
            }
        }
        // 
        // create fast system (if neccessary)
        // 
        SpeciesContextMapping[] fastSpeciesContextMappings = structureAnalyzer.getFastSpeciesContextMappings();
        VCUnitDefinition subDomainUnit = modelUnitSystem.getVolumeConcentrationUnit();
        if (fastSpeciesContextMappings != null) {
            FastSystem fastSystem = new FastSystem(mathDesc);
            for (int i = 0; i < fastSpeciesContextMappings.length; i++) {
                SpeciesContextMapping scm = fastSpeciesContextMappings[i];
                if (scm.getFastInvariant() == null) {
                    // 
                    // independant-fast variable, create a fastRate object
                    // 
                    Expression rate = getIdentifierSubstitutions(scm.getFastRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), simContext.getGeometryContext().getStructureMapping(getResolvedFeature(subVolume)));
                    FastRate fastRate = new FastRate(rate);
                    fastSystem.addFastRate(fastRate);
                } else {
                    // 
                    // dependant-fast variable, create a fastInvariant object
                    // 
                    Expression rate = getIdentifierSubstitutions(scm.getFastInvariant(), subDomainUnit, simContext.getGeometryContext().getStructureMapping(getResolvedFeature(subVolume)));
                    FastInvariant fastInvariant = new FastInvariant(rate);
                    fastSystem.addFastInvariant(fastInvariant);
                }
            }
            subDomain.setFastSystem(fastSystem);
            // constructor calls the 'refresh' method which constructs depemdency matrix, dependent/independent vars and pseudoconstants, etc.
            FastSystemAnalyzer fs_analyzer = new FastSystemAnalyzer(fastSystem, mathDesc);
        }
        // 
        // create ode's for voltages to be calculated on unresolved membranes mapped to this subVolume
        // 
        Structure[] localStructures = getStructures(subVolume);
        for (int sIndex = 0; sIndex < localStructures.length; sIndex++) {
            if (localStructures[sIndex] instanceof Membrane) {
                Membrane membrane = (Membrane) localStructures[sIndex];
                MembraneMapping membraneMapping = (MembraneMapping) simContext.getGeometryContext().getStructureMapping(membrane);
                if (!getResolved(membraneMapping) && membraneMapping.getCalculateVoltage()) {
                    MembraneElectricalDevice capacitiveDevice = potentialMapping.getCapacitiveDevice(membrane);
                    if (capacitiveDevice.getDependentVoltageExpression() == null) {
                        VolVariable vVar = (VolVariable) mathDesc.getVariable(getMathSymbol(capacitiveDevice.getVoltageSymbol(), membraneMapping));
                        Expression initExp = new Expression(getMathSymbol(capacitiveDevice.getMembraneMapping().getInitialVoltageParameter(), membraneMapping));
                        subDomain.addEquation(new OdeEquation(vVar, initExp, getIdentifierSubstitutions(potentialMapping.getOdeRHS(capacitiveDevice, this), membrane.getMembraneVoltage().getUnitDefinition().divideBy(timeUnit), membraneMapping)));
                    } else {
                    // 
                    // 
                    // 
                    }
                }
            }
        }
    }
    // 
    for (int k = 0; k < subVolumes.length; k++) {
        SubVolume subVolume = (SubVolume) subVolumes[k];
        // 
        // if there is a spatially resolved membrane surrounding this subVolume, then create a membraneSubDomain
        // 
        structures = getStructures(subVolume);
        Membrane membrane = null;
        if (structures != null) {
            for (int j = 0; j < structures.length; j++) {
                if (structures[j] instanceof Membrane && getResolved(simContext.getGeometryContext().getStructureMapping(structures[j]))) {
                    membrane = (Membrane) structures[j];
                }
            }
        }
        if (membrane == null) {
            continue;
        }
        SubVolume outerSubVolume = getSubVolume(((FeatureMapping) simContext.getGeometryContext().getStructureMapping(structTopology.getOutsideFeature(membrane))));
        SubVolume innerSubVolume = getSubVolume(((FeatureMapping) simContext.getGeometryContext().getStructureMapping(structTopology.getInsideFeature(membrane))));
        if (innerSubVolume != subVolume) {
            throw new MappingException("membrane " + membrane.getName() + " improperly mapped to inner subVolume " + innerSubVolume.getName());
        }
        // 
        // get priority of subDomain
        // 
        // Feature spatialFeature = simContext.getGeometryContext().getResolvedFeature(subVolume);
        // int priority = spatialFeature.getPriority();
        // 
        // create subDomain
        // 
        CompartmentSubDomain outerCompartment = mathDesc.getCompartmentSubDomain(outerSubVolume.getName());
        CompartmentSubDomain innerCompartment = mathDesc.getCompartmentSubDomain(innerSubVolume.getName());
        SurfaceClass surfaceClass = simContext.getGeometry().getGeometrySurfaceDescription().getSurfaceClass(innerSubVolume, outerSubVolume);
        MembraneSubDomain memSubDomain = new MembraneSubDomain(innerCompartment, outerCompartment, surfaceClass.getName());
        mathDesc.addSubDomain(memSubDomain);
        // 
        // create equations for membrane-bound molecular species
        // 
        MembraneStructureAnalyzer membraneStructureAnalyzer = getMembraneStructureAnalyzer(membrane);
        Enumeration<SpeciesContextMapping> enumSCM = getSpeciesContextMappings();
        while (enumSCM.hasMoreElements()) {
            SpeciesContextMapping scm = enumSCM.nextElement();
            SpeciesContext sc = scm.getSpeciesContext();
            SpeciesContextSpec scs = simContext.getReactionContext().getSpeciesContextSpec(sc);
            // 
            if ((scm.getVariable() instanceof MemVariable) && scm.getDependencyExpression() == null) {
                // 
                // independant variable, create an equation object
                // 
                Equation equation = null;
                MemVariable variable = (MemVariable) scm.getVariable();
                MembraneMapping mm = (MembraneMapping) simContext.getGeometryContext().getStructureMapping(sc.getStructure());
                if (scm.isPDERequired()) {
                    // 
                    if (mm.getMembrane() == membrane) {
                        // 
                        // species context belongs to this subDomain
                        // 
                        Expression initial = new Expression(getMathSymbol(scs.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration), mm));
                        Expression rate = getIdentifierSubstitutions(scm.getRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), simContext.getGeometryContext().getStructureMapping(sc.getStructure()));
                        Expression diffusion = new Expression(getMathSymbol(scs.getDiffusionParameter(), mm));
                        equation = new PdeEquation(variable, initial, rate, diffusion);
                        ((PdeEquation) equation).setBoundaryXm((scs.getBoundaryXmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryXmParameter(), mm)));
                        ((PdeEquation) equation).setBoundaryXp((scs.getBoundaryXpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryXpParameter(), mm)));
                        ((PdeEquation) equation).setBoundaryYm((scs.getBoundaryYmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryYmParameter(), mm)));
                        ((PdeEquation) equation).setBoundaryYp((scs.getBoundaryYpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryYpParameter(), mm)));
                        ((PdeEquation) equation).setBoundaryZm((scs.getBoundaryZmParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryZmParameter(), mm)));
                        ((PdeEquation) equation).setBoundaryZp((scs.getBoundaryZpParameter().getExpression() == null) ? (null) : new Expression(getMathSymbol(scs.getBoundaryZpParameter(), mm)));
                        memSubDomain.replaceEquation(equation);
                    } else {
                        Expression initial = new Expression(0.0);
                        Expression rate = new Expression(0.0);
                        Expression diffusion = new Expression(getMathSymbol(scs.getDiffusionParameter(), mm));
                        equation = new PdeEquation(variable, initial, rate, diffusion);
                        if (memSubDomain.getEquation(variable) == null) {
                            memSubDomain.addEquation(equation);
                        }
                    }
                } else {
                    // 
                    if (mm.getMembrane() == membrane) {
                        // 
                        // species context belongs to this subDomain
                        // 
                        Expression initial = new Expression(getMathSymbol(scs.getParameterFromRole(SpeciesContextSpec.ROLE_InitialConcentration), null));
                        Expression rate = getIdentifierSubstitutions(scm.getRate(), scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit), simContext.getGeometryContext().getStructureMapping(sc.getStructure()));
                        equation = new OdeEquation(variable, initial, rate);
                        memSubDomain.replaceEquation(equation);
                    } else {
                        Expression initial = new Expression(0.0);
                        Expression rate = new Expression(0.0);
                        equation = new OdeEquation(variable, initial, rate);
                        if (memSubDomain.getEquation(variable) == null) {
                            memSubDomain.addEquation(equation);
                        }
                    }
                }
            }
        }
        // 
        // create dummy jump conditions for all volume variables that diffuse and/or advect
        // 
        Enumeration<SpeciesContextMapping> enum_scm = getSpeciesContextMappings();
        while (enum_scm.hasMoreElements()) {
            SpeciesContextMapping scm = enum_scm.nextElement();
            if (scm.isPDERequired()) {
                // Species species = scm.getSpeciesContext().getSpecies();
                Variable var = scm.getVariable();
                if (var instanceof VolVariable && (scm.isPDERequired())) {
                    JumpCondition jc = memSubDomain.getJumpCondition((VolVariable) var);
                    if (jc == null) {
                        // System.out.println("MathMapping.refreshMathDescription(), adding jump condition for diffusing variable "+var.getName()+" on membrane "+membraneStructureAnalyzer.getMembrane().getName());
                        jc = new JumpCondition((VolVariable) var);
                        memSubDomain.addJumpCondition(jc);
                    }
                }
            }
        }
        // 
        // create jump conditions for any volume variables that bind to membrane or have explicitly defined fluxes
        // 
        ResolvedFlux[] resolvedFluxes = membraneStructureAnalyzer.getResolvedFluxes();
        if (resolvedFluxes != null) {
            for (int i = 0; i < resolvedFluxes.length; i++) {
                Species species = resolvedFluxes[i].getSpecies();
                SpeciesContext sc = simContext.getReactionContext().getModel().getSpeciesContext(species, structTopology.getInsideFeature(membraneStructureAnalyzer.getMembrane()));
                if (sc == null) {
                    sc = simContext.getReactionContext().getModel().getSpeciesContext(species, structTopology.getOutsideFeature(membraneStructureAnalyzer.getMembrane()));
                }
                SpeciesContextMapping scm = getSpeciesContextMapping(sc);
                // if (scm.getVariable() instanceof VolVariable && scm.isDiffusing()){
                if (scm.getVariable() instanceof VolVariable && ((MembraneStructureAnalyzer.bNoFluxIfFixed || (scm.isPDERequired())))) {
                    if (MembraneStructureAnalyzer.bNoFluxIfFixed && !scm.isPDERequired()) {
                        MembraneStructureAnalyzer.bNoFluxIfFixedExercised = true;
                    }
                    JumpCondition jc = memSubDomain.getJumpCondition((VolVariable) scm.getVariable());
                    if (jc == null) {
                        jc = new JumpCondition((VolVariable) scm.getVariable());
                        memSubDomain.addJumpCondition(jc);
                    }
                    Expression inFlux = getIdentifierSubstitutions(resolvedFluxes[i].inFluxExpression, resolvedFluxes[i].getUnitDefinition(), simContext.getGeometryContext().getStructureMapping(membraneStructureAnalyzer.getMembrane()));
                    jc.setInFlux(inFlux);
                    Expression outFlux = getIdentifierSubstitutions(resolvedFluxes[i].outFluxExpression, resolvedFluxes[i].getUnitDefinition(), simContext.getGeometryContext().getStructureMapping(membraneStructureAnalyzer.getMembrane()));
                    jc.setOutFlux(outFlux);
                } else {
                    throw new MappingException("APPLICATION  " + simContext.getName() + " : " + scm.getSpeciesContext().getName() + " has spatially resolved flux at membrane " + membrane.getName() + ", but doesn't diffuse in compartment " + scm.getSpeciesContext().getStructure().getName());
                }
            }
        }
        // 
        // create fast system (if neccessary)
        // 
        SpeciesContextMapping[] fastSpeciesContextMappings = membraneStructureAnalyzer.getFastSpeciesContextMappings();
        if (fastSpeciesContextMappings != null) {
            FastSystem fastSystem = new FastSystem(mathDesc);
            for (int i = 0; i < fastSpeciesContextMappings.length; i++) {
                SpeciesContextMapping scm = fastSpeciesContextMappings[i];
                if (scm.getFastInvariant() == null) {
                    // 
                    // independant-fast variable, create a fastRate object
                    // 
                    VCUnitDefinition rateUnit = scm.getSpeciesContext().getUnitDefinition().divideBy(timeUnit);
                    MembraneMapping membraneMapping = (MembraneMapping) simContext.getGeometryContext().getStructureMapping(membraneStructureAnalyzer.getMembrane());
                    FastRate fastRate = new FastRate(getIdentifierSubstitutions(scm.getFastRate(), rateUnit, membraneMapping));
                    fastSystem.addFastRate(fastRate);
                } else {
                    // 
                    // dependant-fast variable, create a fastInvariant object
                    // 
                    VCUnitDefinition invariantUnit = scm.getSpeciesContext().getUnitDefinition();
                    MembraneMapping membraneMapping = (MembraneMapping) simContext.getGeometryContext().getStructureMapping(membraneStructureAnalyzer.getMembrane());
                    FastInvariant fastInvariant = new FastInvariant(getIdentifierSubstitutions(scm.getFastInvariant(), invariantUnit, membraneMapping));
                    fastSystem.addFastInvariant(fastInvariant);
                }
            }
            memSubDomain.setFastSystem(fastSystem);
            // constructor calls the 'refresh' method which constructs depemdency matrix, dependent/independent vars and pseudoconstants, etc.
            FastSystemAnalyzer fs_analyzer = new FastSystemAnalyzer(fastSystem, mathDesc);
        }
        // 
        // create Membrane-region equations for potential of this resolved membrane
        // 
        MembraneMapping membraneMapping = (MembraneMapping) simContext.getGeometryContext().getStructureMapping(membrane);
        if (membraneMapping.getCalculateVoltage()) {
            ElectricalDevice[] membraneDevices = potentialMapping.getElectricalDevices(membrane);
            int numCapacitiveDevices = 0;
            MembraneElectricalDevice capacitiveDevice = null;
            for (int i = 0; i < membraneDevices.length; i++) {
                if (membraneDevices[i] instanceof MembraneElectricalDevice) {
                    numCapacitiveDevices++;
                    capacitiveDevice = (MembraneElectricalDevice) membraneDevices[i];
                }
            }
            if (numCapacitiveDevices != 1) {
                throw new MappingException("expecting 1 capacitive electrical device on graph edge for membrane " + membrane.getName() + ", found '" + numCapacitiveDevices + "'");
            }
            if (mathDesc.getVariable(getMathSymbol(capacitiveDevice.getVoltageSymbol(), membraneMapping)) instanceof MembraneRegionVariable) {
                MembraneRegionVariable vVar = (MembraneRegionVariable) mathDesc.getVariable(getMathSymbol(capacitiveDevice.getVoltageSymbol(), membraneMapping));
                Parameter initialVoltageParm = capacitiveDevice.getMembraneMapping().getInitialVoltageParameter();
                Expression initExp = getIdentifierSubstitutions(initialVoltageParm.getExpression(), initialVoltageParm.getUnitDefinition(), capacitiveDevice.getMembraneMapping());
                MembraneRegionEquation vEquation = new MembraneRegionEquation(vVar, initExp);
                vEquation.setMembraneRateExpression(getIdentifierSubstitutions(potentialMapping.getOdeRHS(capacitiveDevice, this), membrane.getMembraneVoltage().getUnitDefinition().divideBy(timeUnit), capacitiveDevice.getMembraneMapping()));
                memSubDomain.addEquation(vEquation);
            }
        }
    }
    // create equations for event assign targets that are model params/strutureSize, etc.
    Set<VolVariable> hashKeySet = eventVolVarHash.keySet();
    Iterator<VolVariable> volVarsIter = hashKeySet.iterator();
    // working under teh assumption that we are dealing with non-spatial math, hence only one compartment domain!
    SubDomain subDomain = mathDesc.getSubDomains().nextElement();
    while (volVarsIter.hasNext()) {
        VolVariable volVar = volVarsIter.next();
        EventAssignmentInitParameter eap = eventVolVarHash.get(volVar);
        Expression rateExpr = new Expression(0.0);
        Equation equation = new OdeEquation(volVar, new Expression(getMathSymbol(eap, null)), rateExpr);
        subDomain.addEquation(equation);
    }
    // events - add events to math desc and odes for event assignments that have parameters as target variables
    BioEvent[] bioevents = simContext.getBioEvents();
    if (bioevents != null && bioevents.length > 0) {
        for (BioEvent be : bioevents) {
            // transform the bioEvent trigger/delay to math Event
            Expression mathTriggerExpr = getIdentifierSubstitutions(be.generateTriggerExpression(), modelUnitSystem.getInstance_DIMENSIONLESS(), null);
            Delay mathDelay = null;
            if (be.getParameter(BioEventParameterType.TriggerDelay) != null) {
                boolean bUseValsFromTriggerTime = be.getUseValuesFromTriggerTime();
                Expression mathDelayExpr = getIdentifierSubstitutions(be.getParameter(BioEventParameterType.TriggerDelay).getExpression(), timeUnit, null);
                mathDelay = new Delay(bUseValsFromTriggerTime, mathDelayExpr);
            }
            // now deal with (bio)event Assignment translation to math EventAssignment
            ArrayList<EventAssignment> eventAssignments = be.getEventAssignments();
            ArrayList<Event.EventAssignment> mathEventAssignmentsList = new ArrayList<Event.EventAssignment>();
            for (EventAssignment ea : eventAssignments) {
                SymbolTableEntry ste = simContext.getEntry(ea.getTarget().getName());
                VCUnitDefinition eventAssignVarUnit = ste.getUnitDefinition();
                Variable variable = varHash.getVariable(ste.getName());
                Event.EventAssignment mathEA = new Event.EventAssignment(variable, getIdentifierSubstitutions(ea.getAssignmentExpression(), eventAssignVarUnit, null));
                mathEventAssignmentsList.add(mathEA);
            }
            // use the translated trigger, delay and event assignments to create (math) event
            Event mathEvent = new Event(be.getName(), mathTriggerExpr, mathDelay, mathEventAssignmentsList);
            mathDesc.addEvent(mathEvent);
        }
    }
    if (!mathDesc.isValid()) {
        throw new MappingException("generated an invalid mathDescription: " + mathDesc.getWarning());
    }
// System.out.println("]]]]]]]]]]]]]]]]]]]]]] VCML string begin ]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]");
// System.out.println(mathDesc.getVCML());
// System.out.println("]]]]]]]]]]]]]]]]]]]]]] VCML string end ]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]]");
}
Also used : MembraneMapping(cbit.vcell.mapping.MembraneMapping) MembraneSubDomain(cbit.vcell.math.MembraneSubDomain) ArrayList(java.util.ArrayList) SpeciesContext(cbit.vcell.model.SpeciesContext) StructureMappingParameter(cbit.vcell.mapping.StructureMapping.StructureMappingParameter) Feature(cbit.vcell.model.Feature) MemVariable(cbit.vcell.math.MemVariable) KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter) SubVolume(cbit.vcell.geometry.SubVolume) Vector(java.util.Vector) SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter) StructureTopology(cbit.vcell.model.Model.StructureTopology) ReactionSpec(cbit.vcell.mapping.ReactionSpec) FastInvariant(cbit.vcell.math.FastInvariant) PropertyVetoException(java.beans.PropertyVetoException) VCUnitDefinition(cbit.vcell.units.VCUnitDefinition) FastSystem(cbit.vcell.math.FastSystem) CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain) ReactionStep(cbit.vcell.model.ReactionStep) MembraneRegionEquation(cbit.vcell.math.MembraneRegionEquation) SurfaceClass(cbit.vcell.geometry.SurfaceClass) VariableHash(cbit.vcell.math.VariableHash) StructureMapping(cbit.vcell.mapping.StructureMapping) FeatureMapping(cbit.vcell.mapping.FeatureMapping) Structure(cbit.vcell.model.Structure) ModelUnitSystem(cbit.vcell.model.ModelUnitSystem) Hashtable(java.util.Hashtable) StructureMappingParameter(cbit.vcell.mapping.StructureMapping.StructureMappingParameter) Expression(cbit.vcell.parser.Expression) Model(cbit.vcell.model.Model) ProxyParameter(cbit.vcell.model.ProxyParameter) StructureMappingParameter(cbit.vcell.mapping.StructureMapping.StructureMappingParameter) Parameter(cbit.vcell.model.Parameter) KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter) SpeciesContextSpecProxyParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecProxyParameter) LocalParameter(cbit.vcell.mapping.ParameterContext.LocalParameter) ModelParameter(cbit.vcell.model.Model.ModelParameter) SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter) BioEvent(cbit.vcell.mapping.BioEvent) Event(cbit.vcell.math.Event) BioEvent(cbit.vcell.mapping.BioEvent) MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable) MathDescription(cbit.vcell.math.MathDescription) SpeciesContextMapping(cbit.vcell.mapping.SpeciesContextMapping) SpeciesContextSpec(cbit.vcell.mapping.SpeciesContextSpec) ExpressionException(cbit.vcell.parser.ExpressionException) Delay(cbit.vcell.math.Event.Delay) MappingException(cbit.vcell.mapping.MappingException) PropertyVetoException(java.beans.PropertyVetoException) PdeEquation(cbit.vcell.math.PdeEquation) CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain) SubDomain(cbit.vcell.math.SubDomain) MembraneSubDomain(cbit.vcell.math.MembraneSubDomain) Species(cbit.vcell.model.Species) SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter) EventAssignment(cbit.vcell.mapping.BioEvent.EventAssignment) VolVariable(cbit.vcell.math.VolVariable) ModelParameter(cbit.vcell.model.Model.ModelParameter) OdeEquation(cbit.vcell.math.OdeEquation) JumpCondition(cbit.vcell.math.JumpCondition) MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable) VolVariable(cbit.vcell.math.VolVariable) MemVariable(cbit.vcell.math.MemVariable) Variable(cbit.vcell.math.Variable) SpeciesContextSpecProxyParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecProxyParameter) Constant(cbit.vcell.math.Constant) SymbolTableEntry(cbit.vcell.parser.SymbolTableEntry) Membrane(cbit.vcell.model.Membrane) EventAssignment(cbit.vcell.mapping.BioEvent.EventAssignment) OdeEquation(cbit.vcell.math.OdeEquation) MembraneRegionEquation(cbit.vcell.math.MembraneRegionEquation) PdeEquation(cbit.vcell.math.PdeEquation) Equation(cbit.vcell.math.Equation) FastRate(cbit.vcell.math.FastRate)

Example 19 with ModelUnitSystem

use of cbit.vcell.model.ModelUnitSystem in project vcell by virtualcell.

the class AbstractStochMathMapping method getExpressionConcToExpectedCount.

/**
 * getExpressionConcToAmt : converts the concentration expression ('concExpr') to an expression of the number of particles.
 * 		If argument 'speciesContext' is on a membrane, particlesExpr = concExpr * size_of_Mem. If 'speciesContext' is in
 * 		feature, particlesExpr = (concExpr * size_of_Feature)/KMOLE.
 * @param concExpr
 * @param speciesContext
 * @return
 * @throws MappingException
 * @throws ExpressionException
 */
protected Expression getExpressionConcToExpectedCount(Expression concExpr, Structure structure) throws MappingException, ExpressionException {
    Expression exp = Expression.mult(concExpr, new Expression(structure.getStructureSize(), getNameScope()));
    ModelUnitSystem unitSystem = getSimulationContext().getModel().getUnitSystem();
    VCUnitDefinition substanceUnit = unitSystem.getSubstanceUnit(structure);
    Expression unitFactor = getUnitFactor(unitSystem.getStochasticSubstanceUnit().divideBy(substanceUnit));
    Expression particlesExpr = Expression.mult(exp, unitFactor);
    return particlesExpr;
}
Also used : VCUnitDefinition(cbit.vcell.units.VCUnitDefinition) Expression(cbit.vcell.parser.Expression) ModelUnitSystem(cbit.vcell.model.ModelUnitSystem)

Example 20 with ModelUnitSystem

use of cbit.vcell.model.ModelUnitSystem in project vcell by virtualcell.

the class BioEvent method setTriggerType.

public void setTriggerType(TriggerType triggerType) {
    if (triggerType == this.triggerType) {
        return;
    }
    this.triggerType = triggerType;
    ModelUnitSystem modelUnitSystem = getSimulationContext().getModel().getUnitSystem();
    VCUnitDefinition unit_TBD = modelUnitSystem.getInstance_TBD();
    VCUnitDefinition unit_Dimensionless = modelUnitSystem.getInstance_DIMENSIONLESS();
    VCUnitDefinition unit_modelTime = modelUnitSystem.getTimeUnit();
    LocalParameter delayParam = parameterContext.new LocalParameter(BioEventParameterType.TriggerDelay.getDefaultName(), new Expression(0.0), BioEventParameterType.TriggerDelay, unit_modelTime, BioEventParameterType.TriggerDelay.getDescription());
    LocalParameter generatedGeneralTriggerParam = parameterContext.new LocalParameter(BioEventParameterType.GeneralTriggerFunction.getDefaultName(), null, BioEventParameterType.GeneralTriggerFunction, unit_Dimensionless, BioEventParameterType.GeneralTriggerFunction.getDescription());
    switch(triggerType) {
        case GeneralTrigger:
            {
                try {
                    parameterContext.setLocalParameters(new LocalParameter[] { delayParam, parameterContext.new LocalParameter(BioEventParameterType.GeneralTriggerFunction.getDefaultName(), new Expression(0.0), BioEventParameterType.GeneralTriggerFunction, unit_Dimensionless, BioEventParameterType.GeneralTriggerFunction.getDescription()) });
                } catch (PropertyVetoException | ExpressionBindingException e) {
                    e.printStackTrace();
                    throw new RuntimeException(e.getMessage(), e);
                }
                break;
            }
        case ObservableAboveThreshold:
        case ObservableBelowThreshold:
            {
                try {
                    parameterContext.setLocalParameters(new LocalParameter[] { delayParam, generatedGeneralTriggerParam, parameterContext.new LocalParameter(BioEventParameterType.Observable.getDefaultName(), null, BioEventParameterType.Observable, unit_TBD, BioEventParameterType.Observable.getDescription()), parameterContext.new LocalParameter(BioEventParameterType.Threshold.getDefaultName(), new Expression(1.0), BioEventParameterType.Threshold, unit_TBD, BioEventParameterType.Threshold.getDescription()) });
                } catch (PropertyVetoException | ExpressionBindingException e) {
                    e.printStackTrace();
                    throw new RuntimeException(e.getMessage(), e);
                }
                break;
            }
        case SingleTriggerTime:
            {
                try {
                    parameterContext.setLocalParameters(new LocalParameter[] { delayParam, generatedGeneralTriggerParam, parameterContext.new LocalParameter(BioEventParameterType.SingleTriggerTime.getDefaultName(), new Expression(1.0), BioEventParameterType.SingleTriggerTime, unit_modelTime, BioEventParameterType.SingleTriggerTime.getDescription()) });
                } catch (PropertyVetoException | ExpressionBindingException e) {
                    e.printStackTrace();
                    throw new RuntimeException(e.getMessage(), e);
                }
                break;
            }
        case LinearRangeTimes:
        case LogRangeTimes:
            {
                try {
                    parameterContext.setLocalParameters(new LocalParameter[] { delayParam, generatedGeneralTriggerParam, parameterContext.new LocalParameter(BioEventParameterType.RangeMinTime.getDefaultName(), new Expression(1.0), BioEventParameterType.RangeMinTime, unit_modelTime, BioEventParameterType.RangeMinTime.getDescription()), parameterContext.new LocalParameter(BioEventParameterType.RangeMaxTime.getDefaultName(), new Expression(10.0), BioEventParameterType.RangeMaxTime, unit_modelTime, BioEventParameterType.RangeMaxTime.getDescription()), parameterContext.new LocalParameter(BioEventParameterType.RangeNumTimes.getDefaultName(), new Expression(9), BioEventParameterType.RangeNumTimes, unit_modelTime, BioEventParameterType.RangeNumTimes.getDescription()) });
                } catch (PropertyVetoException | ExpressionBindingException e) {
                    e.printStackTrace();
                    throw new RuntimeException(e.getMessage(), e);
                }
                break;
            }
        case ListOfTimes:
            {
                try {
                    parameterContext.setLocalParameters(new LocalParameter[] { delayParam, generatedGeneralTriggerParam, parameterContext.new LocalParameter(BioEventParameterType.TimeListItem.getDefaultName() + "0", new Expression(1.0), BioEventParameterType.TimeListItem, unit_modelTime, BioEventParameterType.TimeListItem.getDescription()), parameterContext.new LocalParameter(BioEventParameterType.TimeListItem.getDefaultName() + "1", new Expression(2.0), BioEventParameterType.TimeListItem, unit_modelTime, BioEventParameterType.TimeListItem.getDescription()), parameterContext.new LocalParameter(BioEventParameterType.TimeListItem.getDefaultName() + "2", new Expression(3.0), BioEventParameterType.TimeListItem, unit_modelTime, BioEventParameterType.TimeListItem.getDescription()) });
                } catch (PropertyVetoException | ExpressionBindingException e) {
                    e.printStackTrace();
                    throw new RuntimeException(e.getMessage(), e);
                }
                break;
            }
        default:
            {
                throw new RuntimeException("unsupported rule-based kinetic law " + triggerType);
            }
    }
}
Also used : LocalParameter(cbit.vcell.mapping.ParameterContext.LocalParameter) VCUnitDefinition(cbit.vcell.units.VCUnitDefinition) Expression(cbit.vcell.parser.Expression) ModelUnitSystem(cbit.vcell.model.ModelUnitSystem)

Aggregations

ModelUnitSystem (cbit.vcell.model.ModelUnitSystem)53 Expression (cbit.vcell.parser.Expression)41 VCUnitDefinition (cbit.vcell.units.VCUnitDefinition)36 ModelParameter (cbit.vcell.model.Model.ModelParameter)17 ExpressionException (cbit.vcell.parser.ExpressionException)17 SpeciesContext (cbit.vcell.model.SpeciesContext)16 PropertyVetoException (java.beans.PropertyVetoException)16 KineticsParameter (cbit.vcell.model.Kinetics.KineticsParameter)14 Membrane (cbit.vcell.model.Membrane)12 Model (cbit.vcell.model.Model)12 Parameter (cbit.vcell.model.Parameter)12 BioModel (cbit.vcell.biomodel.BioModel)11 LocalParameter (cbit.vcell.mapping.ParameterContext.LocalParameter)11 Feature (cbit.vcell.model.Feature)11 Structure (cbit.vcell.model.Structure)11 ArrayList (java.util.ArrayList)11 ReactionStep (cbit.vcell.model.ReactionStep)10 Kinetics (cbit.vcell.model.Kinetics)9 SubVolume (cbit.vcell.geometry.SubVolume)7 StructureMappingParameter (cbit.vcell.mapping.StructureMapping.StructureMappingParameter)7