Examples with MembraneSubDomain cbit.vcell.math.MembraneSubDomain used on opensource projects

Example 16 with MembraneSubDomain

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

the class FiniteVolumeFileWriter method writeMembranes.

/**
 *MEMBRANE_BEGIN subVolume0_subVolume1_membrane subVolume0 subVolume1
 *
 *BOUNDARY_CONDITIONS value value value value
 *
 *EQUATION_BEGIN varMem
 *INITIAL (x > 0.75);
 *REACTION 0.0;
 *DIFFUSION 1.0;
 *BOUNDARY_XM (x > 0.75);
 *BOUNDARY_XP (x > 0.75);
 *BOUNDARY_YM (x > 0.75);
 *BOUNDARY_YP (x > 0.75);
 *EQUATION_END
 *
 *JUMP_CONDITION_BEGIN varVol
 *INFLUX 0.0;
 *OUTFLUX 0.0;
 *JUMP_CONDITION_END
 *
 *MEMBRANE_END
 * @throws ExpressionException
 * @throws MathException
 */
private void writeMembranes() throws ExpressionException, MathException {
    Simulation simulation = simTask.getSimulation();
    MathDescription mathDesc = simulation.getMathDescription();
    Enumeration<SubDomain> enum1 = mathDesc.getSubDomains();
    while (enum1.hasMoreElements()) {
        SubDomain sd = enum1.nextElement();
        if (sd instanceof MembraneSubDomain) {
            MembraneSubDomain msd = (MembraneSubDomain) sd;
            printWriter.println("MEMBRANE_BEGIN " + msd.getName() + " " + msd.getInsideCompartment().getName() + " " + msd.getOutsideCompartment().getName());
            printWriter.println();
            writeMembrane_VarContext(msd);
            writeMembrane_jumpConditions(msd);
            writeFastSystem(msd);
            printWriter.println("MEMBRANE_END");
            printWriter.println();
        }
    }
}

Example 17 with MembraneSubDomain

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

the class SimulationSymbolTable method getFunctionVariableType.

/**
 * Insert the method's description here.
 * Creation date: (2/19/2004 11:17:15 AM)
 * @return cbit.vcell.simdata.VariableType
 * @param function cbit.vcell.math.Function
 * @param variableNames java.lang.String[]
 * @param variableTypes cbit.vcell.simdata.VariableType[]
 */
public static VariableType getFunctionVariableType(Function function, MathDescription mathDescription, String[] variableNames, VariableType[] variableTypes, boolean isSpatial) throws InconsistentDomainException {
    if (!isSpatial) {
        return VariableType.NONSPATIAL;
    }
    VariableType domainFuncType = null;
    // initial guess, restrict variable type to be consistent with domain.
    if (function.getDomain() != null) {
        String domainName = function.getDomain().getName();
        if (mathDescription != null) {
            SubDomain subdomain = mathDescription.getSubDomain(domainName);
            if (subdomain instanceof MembraneSubDomain) {
                domainFuncType = VariableType.MEMBRANE_REGION;
            } else {
                domainFuncType = VariableType.VOLUME_REGION;
            }
        }
    }
    Expression exp = function.getExpression();
    String[] symbols = exp.getSymbols();
    ArrayList<VariableType> varTypeList = new ArrayList<VariableType>();
    boolean bExplicitFunctionOfSpace = false;
    if (symbols != null) {
        for (int j = 0; j < symbols.length; j++) {
            if (symbols[j].equals(ReservedVariable.X.getName()) || symbols[j].equals(ReservedVariable.Y.getName()) || symbols[j].equals(ReservedVariable.Z.getName())) {
                bExplicitFunctionOfSpace = true;
                continue;
            }
            for (int k = 0; k < variableNames.length; k++) {
                if (symbols[j].equals(variableNames[k])) {
                    varTypeList.add(variableTypes[k]);
                    break;
                } else if (symbols[j].equals(variableNames[k] + InsideVariable.INSIDE_VARIABLE_SUFFIX) || symbols[j].equals(variableNames[k] + OutsideVariable.OUTSIDE_VARIABLE_SUFFIX)) {
                    if (variableTypes[k].equals(VariableType.VOLUME)) {
                        varTypeList.add(VariableType.MEMBRANE);
                    } else if (variableTypes[k].equals(VariableType.VOLUME_REGION)) {
                        varTypeList.add(VariableType.MEMBRANE_REGION);
                    }
                    break;
                }
            }
        }
    }
    // Size Functions
    Set<FunctionInvocation> sizeFunctionInvocationSet = SolverUtilities.getSizeFunctionInvocations(function.getExpression());
    for (FunctionInvocation fi : sizeFunctionInvocationSet) {
        String functionName = fi.getFunctionName();
        if (functionName.equals(MathFunctionDefinitions.Function_regionArea_current.getFunctionName())) {
            varTypeList.add(VariableType.MEMBRANE_REGION);
        } else if (functionName.equals(MathFunctionDefinitions.Function_regionVolume_current.getFunctionName())) {
            varTypeList.add(VariableType.VOLUME_REGION);
        }
    }
    // Membrane Normal Functions
    FunctionInvocation[] functionInvocations = function.getExpression().getFunctionInvocations(null);
    for (FunctionInvocation fi : functionInvocations) {
        String functionName = fi.getFunctionName();
        if (functionName.equals(MathFunctionDefinitions.Function_normalX.getFunctionName()) || functionName.equals(MathFunctionDefinitions.Function_normalY.getFunctionName())) {
            varTypeList.add(VariableType.MEMBRANE);
        }
    }
    FieldFunctionArguments[] fieldFuncArgs = FieldUtilities.getFieldFunctionArguments(function.getExpression());
    if (fieldFuncArgs != null && fieldFuncArgs.length > 0) {
        varTypeList.add(fieldFuncArgs[0].getVariableType());
    }
    VariableType funcType = domainFuncType;
    for (VariableType vt : varTypeList) {
        if (funcType == null) {
            funcType = vt;
        } else {
            // 
            if (vt.isExpansionOf(funcType)) {
                funcType = vt;
            } else if (vt.equals(VariableType.VOLUME)) {
                if (funcType.equals(VariableType.MEMBRANE_REGION)) {
                    funcType = VariableType.MEMBRANE;
                }
            } else if (vt.equals(VariableType.VOLUME_REGION)) {
            } else if (vt.equals(VariableType.MEMBRANE)) {
                if (domainFuncType != null && domainFuncType.getVariableDomain().equals(VariableDomain.VARIABLEDOMAIN_VOLUME)) {
                    throw new InconsistentDomainException("Function '" + function.getName() + "' defined on a volume subdomain '" + function.getDomain().getName() + "' references a variable or a function defined on a membrane subdomain");
                }
            } else if (vt.equals(VariableType.MEMBRANE_REGION)) {
                if (funcType.equals(VariableType.VOLUME)) {
                    if (domainFuncType != null && domainFuncType.getVariableDomain().equals(VariableDomain.VARIABLEDOMAIN_VOLUME)) {
                        throw new InconsistentDomainException("Function '" + function.getName() + "' defined on '" + function.getDomain().getName() + "' references a size function defined on a membrane");
                    }
                    funcType = VariableType.MEMBRANE;
                } else if (funcType.equals(VariableType.VOLUME_REGION)) {
                    if (domainFuncType != null && domainFuncType.getVariableDomain().equals(VariableDomain.VARIABLEDOMAIN_VOLUME)) {
                        throw new InconsistentDomainException("Function '" + function.getName() + "' defined on '" + function.getDomain().getName() + "' references a size function defined on a membrane");
                    }
                    funcType = VariableType.MEMBRANE_REGION;
                }
            } else if (vt.incompatibleWith(funcType)) {
                throw new InconsistentDomainException("Function domains conflict between variable domains '" + vt.getDefaultLabel() + "' and '" + funcType.getDefaultLabel() + " for function " + function.getName());
            }
        }
    }
    // 
    if (funcType != null && bExplicitFunctionOfSpace) {
        if (funcType.equals(VariableType.MEMBRANE_REGION)) {
            funcType = VariableType.MEMBRANE;
        } else if (funcType.equals(VariableType.VOLUME_REGION)) {
            funcType = VariableType.VOLUME;
        } else if (funcType.equals(VariableType.CONTOUR_REGION)) {
            funcType = VariableType.CONTOUR;
        }
    }
    if (funcType == null) {
        // no knowledge from expression, default variable type
        return VariableType.VOLUME;
    }
    return funcType;
}

Example 18 with MembraneSubDomain

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

the class SimulationWarning method analyzeDiffusion.

/**
 * make sure diffusion expressions are constants, store for later use
 * @throws ExpressionException
 */
private static Map<MembraneSubDomain, List<DiffusionValue>> analyzeDiffusion(Simulation simulation, double timeStep, IssueContext issueContext, List<Issue> issueList) throws ExpressionException {
    Map<MembraneSubDomain, List<DiffusionValue>> diffusionValuesMap = new IdentityHashMap<>();
    diffusionValuesMap.clear();
    MutableDouble value = new MutableDouble();
    MathDescription cm = simulation.getMathDescription();
    Objects.requireNonNull(cm);
    MathDescription localMath = new MathDescription(cm);
    SimulationSymbolTable symTable = new SimulationSymbolTable(simulation, 0);
    Map<MembraneSubDomain, List<DiffusionValue>> dvMap = new HashMap<>();
    double maxDiffValue = Double.MIN_VALUE;
    List<DiffusionValue> diffusionList = new ArrayList<>();
    for (SubDomain sd : localMath.getSubDomainCollection()) {
        final boolean isMembrane = sd instanceof MembraneSubDomain;
        diffusionList.clear();
        for (ParticleProperties pp : sd.getParticleProperties()) {
            String name = pp.getVariable().getName();
            Expression diffExp = pp.getDiffusion();
            Expression flattened = MathUtilities.substituteFunctions(diffExp, symTable).flatten();
            if (isConstant(flattened, value)) {
                if (isMembrane) {
                    DiffusionValue dv = new DiffusionValue(name, value.doubleValue());
                    maxDiffValue = Math.max(maxDiffValue, dv.value);
                    diffusionList.add(dv);
                }
            } else {
                String s = "Smoldyn only supports constant diffusion, " + name + " is variable";
                Issue i = new Issue(simulation, issueContext, IssueCategory.SMOLYDN_DIFFUSION, s, s, Severity.ERROR);
                issueList.add(i);
            }
        }
        if (isMembrane && !diffusionList.isEmpty()) {
            dvMap.put((MembraneSubDomain) sd, diffusionList);
        }
    }
    diffusionValuesMap.putAll(dvMap);
    MeshSpecification ms = simulation.getMeshSpecification();
    Geometry g = ms.getGeometry();
    int dim = g.getDimension();
    double minDelta = Double.MAX_VALUE;
    switch(dim) {
        case 3:
            minDelta = Math.min(minDelta, ms.getDz(true));
        // fall-through
        case 2:
            minDelta = Math.min(minDelta, ms.getDy(true));
        // fall-through
        case 1:
            minDelta = Math.min(minDelta, ms.getDx(true));
            break;
        default:
            throw new RuntimeException("Invalid dimension " + dim + " for smoldyn solver");
    }
    double minArea = minDelta * minDelta / 2;
    double limit = PRECHECK_LIMIT_ADJUST * minArea / maxDiffValue;
    boolean warn = (timeStep > limit);
    if (lg.isDebugEnabled()) {
        lg.debug("Min delta " + minDelta + ", min area " + minArea + " time limit " + limit + " timeStep " + timeStep + " -> warn = " + warn);
    }
    if (warn) {
        String s = "Time step " + timeStep + " may be too large, performing further analysis ...";
        Issue i = new Issue(simulation, issueContext, IssueCategory.SMOLYDN_DIFFUSION, s, s, Severity.WARNING);
        issueList.add(i);
    }
    lg.debug("end of diffusion analysis");
    return diffusionValuesMap;
}

Example 19 with MembraneSubDomain

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

the class Xmlproducer method getXML.

/**
 * This method returns a XML representation of a SubDomain object type.
 * Creation date: (3/2/2001 1:13:30 PM)
 * @return Element
 * @param param cbit.vcell.math.SubDomain
 */
private Element getXML(SubDomain param) throws XmlParseException {
    Element e = null;
    if (param instanceof CompartmentSubDomain) {
        e = getXML((CompartmentSubDomain) param);
    } else if (param instanceof FilamentSubDomain) {
        e = getXML((FilamentSubDomain) param);
    } else if (param instanceof MembraneSubDomain) {
        e = getXML((MembraneSubDomain) param);
    } else if (param instanceof PointSubDomain) {
        e = getXML((PointSubDomain) param);
    }
    transcribeComments(param, e);
    return e;
}

Example 20 with MembraneSubDomain

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

the class MathDescriptionTreeModel method createBaseTree.

/**
 * Insert the method's description here.
 * Creation date: (11/28/00 1:06:51 PM)
 * @return cbit.vcell.desktop.BioModelNode
 * @param docManager cbit.vcell.clientdb.DocumentManager
 */
private BioModelNode createBaseTree() {
    if (getMathDescription() == null) {
        return new BioModelNode(" ", false);
    }
    // 
    // make root node
    // 
    BioModelNode rootNode = new BioModelNode("math description", true);
    // 
    // create subTree of Constants
    // 
    BioModelNode constantRootNode = new BioModelNode("constants", true);
    Enumeration<Constant> enum1 = getMathDescription().getConstants();
    while (enum1.hasMoreElements()) {
        Constant constant = enum1.nextElement();
        BioModelNode constantNode = new BioModelNode(constant, false);
        constantRootNode.add(constantNode);
    }
    if (constantRootNode.getChildCount() > 0) {
        rootNode.add(constantRootNode);
    }
    // 
    // create subTree of Functions
    // 
    BioModelNode functionRootNode = new BioModelNode("functions", true);
    Enumeration<Function> enum2 = getMathDescription().getFunctions();
    while (enum2.hasMoreElements()) {
        Function function = enum2.nextElement();
        BioModelNode functionNode = new BioModelNode(function, false);
        functionRootNode.add(functionNode);
    }
    if (functionRootNode.getChildCount() > 0) {
        rootNode.add(functionRootNode);
    }
    // 
    // create subTree of VolumeSubDomains and MembraneSubDomains
    // 
    BioModelNode volumeRootNode = new BioModelNode("volume domains", true);
    BioModelNode membraneRootNode = new BioModelNode("membrane domains", true);
    Enumeration<SubDomain> enum3 = getMathDescription().getSubDomains();
    while (enum3.hasMoreElements()) {
        SubDomain subDomain = enum3.nextElement();
        if (subDomain instanceof cbit.vcell.math.CompartmentSubDomain) {
            CompartmentSubDomain volumeSubDomain = (CompartmentSubDomain) subDomain;
            BioModelNode volumeSubDomainNode = new BioModelNode(volumeSubDomain, true);
            if (// stochastic subtree
            getMathDescription().isNonSpatialStoch()) {
                // add stoch variable initial conditions
                BioModelNode varIniConditionNode = new BioModelNode("variable_initial_conditions", true);
                for (VarIniCondition varIni : volumeSubDomain.getVarIniConditions()) {
                    BioModelNode varIniNode = new BioModelNode(varIni, false);
                    varIniConditionNode.add(varIniNode);
                }
                volumeSubDomainNode.add(varIniConditionNode);
                // add jump processes
                for (JumpProcess jp : volumeSubDomain.getJumpProcesses()) {
                    BioModelNode jpNode = new BioModelNode(jp, true);
                    // add probability rate.
                    String probRate = "P_" + jp.getName();
                    BioModelNode prNode = new BioModelNode("probability_rate = " + probRate, false);
                    jpNode.add(prNode);
                    // add Actions
                    Enumeration<Action> actions = Collections.enumeration(jp.getActions());
                    while (actions.hasMoreElements()) {
                        Action action = actions.nextElement();
                        BioModelNode actionNode = new BioModelNode(action, false);
                        jpNode.add(actionNode);
                    }
                    volumeSubDomainNode.add(jpNode);
                }
            } else // non-stochastic subtree
            {
                // 
                // add equation children
                // 
                Enumeration<Equation> eqnEnum = volumeSubDomain.getEquations();
                while (eqnEnum.hasMoreElements()) {
                    Equation equation = eqnEnum.nextElement();
                    BioModelNode equationNode = new BioModelNode(equation, false);
                    volumeSubDomainNode.add(equationNode);
                }
                // 
                // add fast system
                // 
                FastSystem fastSystem = volumeSubDomain.getFastSystem();
                if (fastSystem != null) {
                    BioModelNode fsNode = new BioModelNode(fastSystem, true);
                    Enumeration<FastInvariant> enumFI = fastSystem.getFastInvariants();
                    while (enumFI.hasMoreElements()) {
                        FastInvariant fi = enumFI.nextElement();
                        fsNode.add(new BioModelNode(fi, false));
                    }
                    Enumeration<FastRate> enumFR = fastSystem.getFastRates();
                    while (enumFR.hasMoreElements()) {
                        FastRate fr = enumFR.nextElement();
                        fsNode.add(new BioModelNode(fr, false));
                    }
                    volumeSubDomainNode.add(fsNode);
                }
            }
            volumeRootNode.add(volumeSubDomainNode);
        } else if (subDomain instanceof MembraneSubDomain) {
            MembraneSubDomain membraneSubDomain = (MembraneSubDomain) subDomain;
            BioModelNode membraneSubDomainNode = new BioModelNode(membraneSubDomain, true);
            // 
            // add equation children
            // 
            Enumeration<Equation> eqnEnum = membraneSubDomain.getEquations();
            while (eqnEnum.hasMoreElements()) {
                Equation equation = eqnEnum.nextElement();
                BioModelNode equationNode = new BioModelNode(equation, false);
                membraneSubDomainNode.add(equationNode);
            }
            // 
            // add jump condition children
            // 
            Enumeration<JumpCondition> jcEnum = membraneSubDomain.getJumpConditions();
            while (jcEnum.hasMoreElements()) {
                JumpCondition jumpCondition = jcEnum.nextElement();
                BioModelNode jcNode = new BioModelNode(jumpCondition, false);
                membraneSubDomainNode.add(jcNode);
            }
            // 
            // add fast system
            // 
            FastSystem fastSystem = membraneSubDomain.getFastSystem();
            if (fastSystem != null) {
                BioModelNode fsNode = new BioModelNode(fastSystem, true);
                Enumeration<FastInvariant> enumFI = fastSystem.getFastInvariants();
                while (enumFI.hasMoreElements()) {
                    FastInvariant fi = enumFI.nextElement();
                    fsNode.add(new BioModelNode(fi, false));
                }
                Enumeration<FastRate> enumFR = fastSystem.getFastRates();
                while (enumFR.hasMoreElements()) {
                    FastRate fr = enumFR.nextElement();
                    fsNode.add(new BioModelNode(fr, false));
                }
                membraneSubDomainNode.add(fsNode);
            }
            membraneRootNode.add(membraneSubDomainNode);
        }
    }
    if (volumeRootNode.getChildCount() > 0) {
        rootNode.add(volumeRootNode);
    }
    if (membraneRootNode.getChildCount() > 0) {
        rootNode.add(membraneRootNode);
    }
    return rootNode;
}