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Example 6 with FilamentVariable

use of cbit.vcell.math.FilamentVariable in project vcell by virtualcell.

the class ModelOptimizationSpec method removeUncoupledParameters.

public void removeUncoupledParameters() {
    try {
        localIssueList.clear();
        MathMapping mathMapping = getSimulationContext().createNewMathMapping();
        MathDescription mathDesc = mathMapping.getMathDescription();
        MathSystemHash mathSystemHash = fromMath(mathDesc);
        Graph graph = mathSystemHash.getDependencyGraph(mathSystemHash.getSymbols());
        Tree[] spanningTrees = graph.getSpanningForest();
        // 
        for (int i = 0; i < spanningTrees.length; i++) {
            Node[] treeNodes = spanningTrees[i].getNodes();
            boolean bHasStateVariables = false;
            for (int j = 0; j < treeNodes.length; j++) {
                Node node = treeNodes[j];
                Variable var = mathDesc.getVariable(node.getName());
                if (var instanceof VolVariable || var instanceof MemVariable || var instanceof FilamentVariable || var instanceof VolumeRegionVariable || var instanceof MembraneRegionVariable || var instanceof FilamentRegionVariable) {
                    bHasStateVariables = true;
                    break;
                }
            }
            if (!bHasStateVariables) {
                spanningTrees = (Tree[]) BeanUtils.removeElement(spanningTrees, spanningTrees[i]);
                i--;
            }
        }
        // 
        // remove parameters not mapped to a surviving tree (not coupled to any state variables
        // 
        ArrayList<ParameterMappingSpec> paramMappingSpecsList = new ArrayList<ParameterMappingSpec>();
        paramMappingSpecsList.addAll(Arrays.asList(fieldParameterMappingSpecs));
        for (int i = 0; i < paramMappingSpecsList.size(); i++) {
            Parameter parameter = paramMappingSpecsList.get(i).getModelParameter();
            String mathName = mathMapping.getMathSymbolMapping().getVariable(parameter).getName();
            boolean bFoundInTree = false;
            for (int j = 0; j < spanningTrees.length; j++) {
                Node node = spanningTrees[j].getNode(mathName);
                if (node != null) {
                    bFoundInTree = true;
                }
            }
            if (!bFoundInTree) {
                paramMappingSpecsList.remove(i);
                i--;
            }
        }
        ParameterMappingSpec[] parameterMappingSpecs = new ParameterMappingSpec[paramMappingSpecsList.size()];
        paramMappingSpecsList.toArray(parameterMappingSpecs);
        setParameterMappingSpecs(parameterMappingSpecs);
    } catch (Exception e) {
        e.printStackTrace(System.out);
        localIssueList.add(new Issue(this, localIssueContext, IssueCategory.ParameterEstimationGeneralWarning, e.getMessage(), Issue.SEVERITY_WARNING));
    // throw new RuntimeException(e.getMessage());
    }
}
Also used : MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable) FilamentVariable(cbit.vcell.math.FilamentVariable) VolVariable(cbit.vcell.math.VolVariable) VolumeRegionVariable(cbit.vcell.math.VolumeRegionVariable) MemVariable(cbit.vcell.math.MemVariable) FilamentRegionVariable(cbit.vcell.math.FilamentRegionVariable) Variable(cbit.vcell.math.Variable) Issue(org.vcell.util.Issue) MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable) MathDescription(cbit.vcell.math.MathDescription) Node(cbit.util.graph.Node) ArrayList(java.util.ArrayList) VolumeRegionVariable(cbit.vcell.math.VolumeRegionVariable) MemVariable(cbit.vcell.math.MemVariable) Tree(cbit.util.graph.Tree) VolVariable(cbit.vcell.math.VolVariable) FilamentRegionVariable(cbit.vcell.math.FilamentRegionVariable) PropertyVetoException(java.beans.PropertyVetoException) ExpressionException(cbit.vcell.parser.ExpressionException) Graph(cbit.util.graph.Graph) FilamentVariable(cbit.vcell.math.FilamentVariable) MathMapping(cbit.vcell.mapping.MathMapping) Parameter(cbit.vcell.model.Parameter) KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter) ModelParameter(cbit.vcell.model.Model.ModelParameter) KineticsProxyParameter(cbit.vcell.model.Kinetics.KineticsProxyParameter) SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)

Example 7 with FilamentVariable

use of cbit.vcell.math.FilamentVariable in project vcell by virtualcell.

the class FiniteVolumeFileWriter method writeVariables.

/**
 *# Variables : type name unit time_dependent_flag advection_flag solve_whole_mesh_flag solve_regions
 *VARIABLE_BEGIN
 *VOLUME_ODE rB uM
 *VOLUME_PDE rf uM false false
 *VOLUME_PDE r uM false false
 *VOLUME_ODE rfB uM
 *VARIABLE_END
 * @throws MathException
 * @throws ExpressionException
 * @throws IOException
 */
private void writeVariables() throws MathException, ExpressionException, IOException {
    SimulationSymbolTable simSymbolTable = simTask.getSimulationJob().getSimulationSymbolTable();
    printWriter.println("# Variables : type name domain time_dependent_flag advection_flag grad_flag solve_whole_mesh_flag solve_regions");
    printWriter.println(FVInputFileKeyword.VARIABLE_BEGIN);
    MathDescription mathDesc = simSymbolTable.getSimulation().getMathDescription();
    Variable[] vars = simSymbolTable.getVariables();
    ArrayList<RandomVariable> rvList = new ArrayList<RandomVariable>();
    for (int i = 0; i < vars.length; i++) {
        String varName = vars[i].getName();
        String domainName = vars[i].getDomain() == null ? null : vars[i].getDomain().getName();
        if (vars[i] instanceof VolumeRandomVariable || vars[i] instanceof MembraneRandomVariable) {
            rvList.add((RandomVariable) vars[i]);
        } else if (vars[i] instanceof VolVariable) {
            if (bChomboSolver && domainName == null) {
                throw new MathException(simTask.getSimulation().getSolverTaskDescription().getSolverDescription().getDisplayLabel() + " requires that every variable is defined in a single domain");
            }
            VolVariable volVar = (VolVariable) vars[i];
            if (mathDesc.isPDE(volVar)) {
                boolean hasTimeVaryingDiffusionOrAdvection = simSymbolTable.hasTimeVaryingDiffusionOrAdvection(volVar);
                final boolean hasVelocity = mathDesc.hasVelocity(volVar);
                final boolean hasGradient = mathDesc.hasGradient(volVar);
                if (mathDesc.isPdeSteady(volVar)) {
                    printWriter.print("VOLUME_PDE_STEADY ");
                } else {
                    printWriter.print("VOLUME_PDE ");
                }
                printWriter.print(varName + " " + domainName + " " + hasTimeVaryingDiffusionOrAdvection + " " + hasVelocity + " " + hasGradient);
            } else {
                printWriter.print("VOLUME_ODE " + varName + " " + domainName);
            }
            if (domainName == null) {
                Vector<SubDomain> listOfSubDomains = new Vector<SubDomain>();
                int totalNumCompartments = 0;
                Enumeration<SubDomain> subDomainEnum = mathDesc.getSubDomains();
                while (subDomainEnum.hasMoreElements()) {
                    SubDomain subDomain = subDomainEnum.nextElement();
                    if (subDomain instanceof CompartmentSubDomain) {
                        CompartmentSubDomain compartmentSubDomain = (CompartmentSubDomain) subDomain;
                        totalNumCompartments++;
                        Equation varEquation = subDomain.getEquation(vars[i]);
                        if (varEquation != null) {
                            if (!(varEquation instanceof PdeEquation) || !((PdeEquation) varEquation).isDummy(simSymbolTable, compartmentSubDomain)) {
                                listOfSubDomains.add(compartmentSubDomain);
                            }
                        }
                    }
                }
                if ((totalNumCompartments == listOfSubDomains.size()) || (listOfSubDomains.size() == 0 && simTask.getSimulation().getSolverTaskDescription().getSolverDescription().equals(SolverDescription.SundialsPDE))) {
                    printWriter.print(" true");
                } else {
                    printWriter.print(" false");
                    for (int j = 0; j < listOfSubDomains.size(); j++) {
                        CompartmentSubDomain compartmentSubDomain = (CompartmentSubDomain) listOfSubDomains.elementAt(j);
                        printWriter.print(" " + compartmentSubDomain.getName());
                    }
                }
                printWriter.println();
            } else {
                printWriter.println(" false " + domainName);
            }
        } else if (vars[i] instanceof VolumeParticleVariable) {
            printWriter.println(FVInputFileKeyword.VOLUME_PARTICLE + " " + varName + " " + domainName);
        } else if (vars[i] instanceof MembraneParticleVariable) {
            printWriter.println(FVInputFileKeyword.MEMBRANE_PARTICLE + " " + varName + " " + domainName);
        } else if (vars[i] instanceof VolumeRegionVariable) {
            printWriter.println("VOLUME_REGION " + varName + " " + domainName);
        } else if (vars[i] instanceof MemVariable) {
            if (bChomboSolver && domainName == null) {
                throw new MathException(simTask.getSimulation().getSolverTaskDescription().getSolverDescription().getDisplayLabel() + " requires that every variable is defined in a single domain");
            }
            MemVariable memVar = (MemVariable) vars[i];
            if (mathDesc.isPDE(memVar)) {
                printWriter.println("MEMBRANE_PDE " + varName + " " + domainName + " " + simSymbolTable.hasTimeVaryingDiffusionOrAdvection(memVar));
            } else {
                printWriter.println("MEMBRANE_ODE " + varName + " " + domainName);
            }
        } else if (vars[i] instanceof MembraneRegionVariable) {
            printWriter.println("MEMBRANE_REGION " + varName + " " + domainName);
        } else if (vars[i] instanceof FilamentVariable) {
            throw new RuntimeException("Filament application not supported yet");
        }
    }
    int numRandomVariables = rvList.size();
    if (numRandomVariables > 0) {
        ISize samplingSize = simTask.getSimulation().getMeshSpecification().getSamplingSize();
        String[] varNameArr = new String[numRandomVariables];
        VariableType[] varTypeArr = new VariableType[numRandomVariables];
        double[][] dataArr = new double[numRandomVariables][];
        for (int i = 0; i < numRandomVariables; i++) {
            RandomVariable rv = rvList.get(i);
            varNameArr[i] = rv.getName();
            int numRandomNumbers = 0;
            if (rv instanceof VolumeRandomVariable) {
                printWriter.print("VOLUME_RANDOM");
                varTypeArr[i] = VariableType.VOLUME;
                numRandomNumbers = samplingSize.getXYZ();
            } else if (rv instanceof MembraneRandomVariable) {
                printWriter.print("MEMBRANE_RANDOM");
                varTypeArr[i] = VariableType.MEMBRANE;
                numRandomNumbers = resampledGeometry.getGeometrySurfaceDescription().getSurfaceCollection().getTotalPolygonCount();
            } else {
                throw new RuntimeException("Unknown RandomVariable type");
            }
            printWriter.println(" " + varNameArr[i]);
            dataArr[i] = generateRandomNumbers(rv, numRandomNumbers);
        }
        File rvFile = new File(workingDirectory, simTask.getSimulationJobID() + RANDOM_VARIABLE_FILE_EXTENSION);
        DataSet.writeNew(rvFile, varNameArr, varTypeArr, samplingSize, dataArr);
    }
    printWriter.println(FVInputFileKeyword.VARIABLE_END);
    printWriter.println();
}
Also used : FilamentVariable(cbit.vcell.math.FilamentVariable) VolVariable(cbit.vcell.math.VolVariable) ReservedVariable(cbit.vcell.math.ReservedVariable) ParameterVariable(cbit.vcell.math.ParameterVariable) RandomVariable(cbit.vcell.math.RandomVariable) VolumeRandomVariable(cbit.vcell.math.VolumeRandomVariable) MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable) VolumeParticleVariable(cbit.vcell.math.VolumeParticleVariable) MembraneRandomVariable(cbit.vcell.math.MembraneRandomVariable) VolumeRegionVariable(cbit.vcell.math.VolumeRegionVariable) MembraneParticleVariable(cbit.vcell.math.MembraneParticleVariable) MemVariable(cbit.vcell.math.MemVariable) Variable(cbit.vcell.math.Variable) MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable) MathDescription(cbit.vcell.math.MathDescription) ISize(org.vcell.util.ISize) ArrayList(java.util.ArrayList) MembraneRandomVariable(cbit.vcell.math.MembraneRandomVariable) RandomVariable(cbit.vcell.math.RandomVariable) VolumeRandomVariable(cbit.vcell.math.VolumeRandomVariable) MembraneRandomVariable(cbit.vcell.math.MembraneRandomVariable) CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain) SubDomain(cbit.vcell.math.SubDomain) MembraneSubDomain(cbit.vcell.math.MembraneSubDomain) PdeEquation(cbit.vcell.math.PdeEquation) VolumeRegionVariable(cbit.vcell.math.VolumeRegionVariable) MemVariable(cbit.vcell.math.MemVariable) MembraneParticleVariable(cbit.vcell.math.MembraneParticleVariable) Vector(java.util.Vector) Enumeration(java.util.Enumeration) VariableType(cbit.vcell.math.VariableType) VolVariable(cbit.vcell.math.VolVariable) SimulationSymbolTable(cbit.vcell.solver.SimulationSymbolTable) MeasureEquation(cbit.vcell.math.MeasureEquation) PdeEquation(cbit.vcell.math.PdeEquation) VolumeRegionEquation(cbit.vcell.math.VolumeRegionEquation) MembraneRegionEquation(cbit.vcell.math.MembraneRegionEquation) Equation(cbit.vcell.math.Equation) MathException(cbit.vcell.math.MathException) CompartmentSubDomain(cbit.vcell.math.CompartmentSubDomain) VolumeParticleVariable(cbit.vcell.math.VolumeParticleVariable) VolumeRandomVariable(cbit.vcell.math.VolumeRandomVariable) FilamentVariable(cbit.vcell.math.FilamentVariable) File(java.io.File)

Example 8 with FilamentVariable

use of cbit.vcell.math.FilamentVariable in project vcell by virtualcell.

the class MathTestingUtilities method substituteWithExactSolution.

/**
 * Insert the method's description here.
 * Creation date: (1/24/2003 10:18:14 AM)
 * @return cbit.vcell.parser.Expression
 * @param origExp cbit.vcell.parser.Expression
 * @param subDomain cbit.vcell.math.SubDomain
 */
private static Expression substituteWithExactSolution(Expression origExp, MembraneSubDomain subDomain, MathDescription exactMathDesc) throws ExpressionException {
    Expression substitutedExp = new Expression(origExp);
    substitutedExp.bindExpression(exactMathDesc);
    substitutedExp = MathUtilities.substituteFunctions(substitutedExp, exactMathDesc);
    substitutedExp.bindExpression(null);
    substitutedExp = substitutedExp.flatten();
    substitutedExp.bindExpression(exactMathDesc);
    String[] symbols = substitutedExp.getSymbols();
    for (int i = 0; symbols != null && i < symbols.length; i++) {
        Variable var = (Variable) substitutedExp.getSymbolBinding(symbols[i]);
        if (var instanceof MemVariable) {
            String exactVarName = var.getName() + "_" + subDomain.getName() + "_exact";
            substitutedExp.substituteInPlace(new Expression(var.getName()), new Expression(exactVarName));
        } else if (var instanceof InsideVariable) {
            String exactVarName = var.getName() + "_" + subDomain.getInsideCompartment().getName() + "_exact";
            substitutedExp.substituteInPlace(new Expression(var.getName()), new Expression(exactVarName));
        } else if (var instanceof OutsideVariable) {
            String exactVarName = var.getName() + "_" + subDomain.getOutsideCompartment().getName() + "_exact";
            substitutedExp.substituteInPlace(new Expression(var.getName()), new Expression(exactVarName));
        } else if (var instanceof VolumeRegionVariable || var instanceof MemVariable || var instanceof MembraneRegionVariable || var instanceof FilamentVariable || var instanceof FilamentRegionVariable) {
            throw new RuntimeException("variable substitution not yet implemented for Variable type " + var.getClass().getName() + "(" + var.getName() + ")");
        }
    }
    substitutedExp.bindExpression(null);
    return substitutedExp;
}
Also used : MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable) InsideVariable(cbit.vcell.math.InsideVariable) SensVariable(cbit.vcell.solver.ode.SensVariable) FilamentVariable(cbit.vcell.math.FilamentVariable) VolVariable(cbit.vcell.math.VolVariable) VolumeRegionVariable(cbit.vcell.math.VolumeRegionVariable) ReservedVariable(cbit.vcell.math.ReservedVariable) MemVariable(cbit.vcell.math.MemVariable) OutsideVariable(cbit.vcell.math.OutsideVariable) FilamentRegionVariable(cbit.vcell.math.FilamentRegionVariable) Variable(cbit.vcell.math.Variable) MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable) FilamentRegionVariable(cbit.vcell.math.FilamentRegionVariable) InsideVariable(cbit.vcell.math.InsideVariable) VolumeRegionVariable(cbit.vcell.math.VolumeRegionVariable) MemVariable(cbit.vcell.math.MemVariable) Expression(cbit.vcell.parser.Expression) FilamentVariable(cbit.vcell.math.FilamentVariable) OutsideVariable(cbit.vcell.math.OutsideVariable)

Example 9 with FilamentVariable

use of cbit.vcell.math.FilamentVariable in project vcell by virtualcell.

the class MathTestingUtilities method substituteWithExactSolution.

/**
 * Insert the method's description here.
 * Creation date: (1/24/2003 10:18:14 AM)
 * @return cbit.vcell.parser.Expression
 * @param origExp cbit.vcell.parser.Expression
 * @param subDomain cbit.vcell.math.SubDomain
 */
private static Expression substituteWithExactSolution(Expression origExp, CompartmentSubDomain subDomain, MathDescription exactMathDesc) throws ExpressionException {
    Expression substitutedExp = new Expression(origExp);
    substitutedExp.bindExpression(exactMathDesc);
    substitutedExp = MathUtilities.substituteFunctions(substitutedExp, exactMathDesc);
    substitutedExp.bindExpression(null);
    substitutedExp = substitutedExp.flatten();
    substitutedExp.bindExpression(exactMathDesc);
    String[] symbols = substitutedExp.getSymbols();
    for (int i = 0; i < symbols.length; i++) {
        Variable var = (Variable) substitutedExp.getSymbolBinding(symbols[i]);
        if (var instanceof VolVariable) {
            String exactVarName = var.getName() + "_" + subDomain.getName() + "_exact";
            substitutedExp.substituteInPlace(new Expression(var.getName()), new Expression(exactVarName));
        } else if (var instanceof VolumeRegionVariable || var instanceof MemVariable || var instanceof MembraneRegionVariable || var instanceof FilamentVariable || var instanceof FilamentRegionVariable) {
            throw new RuntimeException("variable substitution not yet implemented for Variable type " + var.getClass().getName() + "(" + var.getName() + ")");
        }
    }
    substitutedExp.bindExpression(null);
    return substitutedExp;
}
Also used : VolumeRegionVariable(cbit.vcell.math.VolumeRegionVariable) MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable) InsideVariable(cbit.vcell.math.InsideVariable) SensVariable(cbit.vcell.solver.ode.SensVariable) FilamentVariable(cbit.vcell.math.FilamentVariable) VolVariable(cbit.vcell.math.VolVariable) VolumeRegionVariable(cbit.vcell.math.VolumeRegionVariable) ReservedVariable(cbit.vcell.math.ReservedVariable) MemVariable(cbit.vcell.math.MemVariable) OutsideVariable(cbit.vcell.math.OutsideVariable) FilamentRegionVariable(cbit.vcell.math.FilamentRegionVariable) Variable(cbit.vcell.math.Variable) MemVariable(cbit.vcell.math.MemVariable) MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable) Expression(cbit.vcell.parser.Expression) VolVariable(cbit.vcell.math.VolVariable) FilamentRegionVariable(cbit.vcell.math.FilamentRegionVariable) FilamentVariable(cbit.vcell.math.FilamentVariable)

Aggregations

FilamentVariable (cbit.vcell.math.FilamentVariable)9 MemVariable (cbit.vcell.math.MemVariable)8 MembraneRegionVariable (cbit.vcell.math.MembraneRegionVariable)8 Variable (cbit.vcell.math.Variable)8 VolVariable (cbit.vcell.math.VolVariable)8 VolumeRegionVariable (cbit.vcell.math.VolumeRegionVariable)8 FilamentRegionVariable (cbit.vcell.math.FilamentRegionVariable)7 InsideVariable (cbit.vcell.math.InsideVariable)5 OutsideVariable (cbit.vcell.math.OutsideVariable)5 ReservedVariable (cbit.vcell.math.ReservedVariable)5 CompartmentSubDomain (cbit.vcell.math.CompartmentSubDomain)4 MembraneSubDomain (cbit.vcell.math.MembraneSubDomain)4 Expression (cbit.vcell.parser.Expression)4 SensVariable (cbit.vcell.solver.ode.SensVariable)4 Constant (cbit.vcell.math.Constant)3 MathDescription (cbit.vcell.math.MathDescription)3 SubDomain (cbit.vcell.math.SubDomain)3 FilamentSubDomain (cbit.vcell.math.FilamentSubDomain)2 Function (cbit.vcell.math.Function)2 MathException (cbit.vcell.math.MathException)2