Examples with SimpleReaction cbit.vcell.model.SimpleReaction used on opensource projects

Example 41 with SimpleReaction

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

the class XmlReader method getSimpleReaction.

/**
 * This method returns a SimpleReaction object from a XML element.
 * Creation date: (3/16/2001 11:52:02 AM)
 * @return cbit.vcell.model.SimpleReaction
 * @param param org.jdom.Element
 */
private SimpleReaction getSimpleReaction(Element param, Model model) throws XmlParseException {
    // resolve reference to the  structure that it belongs to.
    String structureName = unMangle(param.getAttributeValue(XMLTags.StructureAttrTag));
    Structure structureref = (Structure) model.getStructure(structureName);
    if (structureref == null) {
        throw new XmlParseException("The structure " + structureName + "could not be resolved!");
    }
    // try to get keValue information
    String keystring = param.getAttributeValue(XMLTags.KeyValueAttrTag);
    KeyValue key = null;
    if (keystring != null && keystring.length() > 0 && this.readKeysFlag) {
        key = new KeyValue(keystring);
    }
    // ---Instantiate a new Simplereaction---
    SimpleReaction simplereaction = null;
    String name = unMangle(param.getAttributeValue(XMLTags.NameAttrTag));
    String reversibleAttributeValue = param.getAttributeValue(XMLTags.ReversibleAttrTag);
    boolean bReversible = true;
    if (reversibleAttributeValue != null) {
        if (Boolean.TRUE.toString().equals(reversibleAttributeValue)) {
            bReversible = true;
        } else if (Boolean.FALSE.toString().equals(reversibleAttributeValue)) {
            bReversible = false;
        } else {
            throw new RuntimeException("unexpected value " + reversibleAttributeValue + " for reversible flag for reaction " + name);
        }
    }
    try {
        simplereaction = new SimpleReaction(model, structureref, key, name, bReversible);
    } catch (java.beans.PropertyVetoException e) {
        e.printStackTrace();
        throw new XmlParseException("An error occurred while trying to create the simpleReaction " + name, e);
    }
    // Annotation
    // String rsAnnotation = null;
    // String annotationText = param.getChildText(XMLTags.AnnotationTag, vcNamespace);
    // if (annotationText!=null && annotationText.length()>0) {
    // rsAnnotation = unMangle(annotationText);
    // }
    // simplereaction.setAnnotation(rsAnnotation);
    // set the fluxOption
    String fluxOptionString = null;
    fluxOptionString = param.getAttributeValue(XMLTags.FluxOptionAttrTag);
    if (fluxOptionString != null && fluxOptionString.length() > 0) {
        try {
            if (fluxOptionString.equals(XMLTags.FluxOptionElectricalOnly)) {
                simplereaction.setPhysicsOptions(SimpleReaction.PHYSICS_ELECTRICAL_ONLY);
            } else if (fluxOptionString.equals(XMLTags.FluxOptionMolecularAndElectrical)) {
                simplereaction.setPhysicsOptions(SimpleReaction.PHYSICS_MOLECULAR_AND_ELECTRICAL);
            } else if (fluxOptionString.equals(XMLTags.FluxOptionMolecularOnly)) {
                simplereaction.setPhysicsOptions(SimpleReaction.PHYSICS_MOLECULAR_ONLY);
            }
        } catch (java.beans.PropertyVetoException e) {
            e.printStackTrace(System.out);
            throw new XmlParseException("A propertyVetoException was fired when setting the fluxOption to the flux reaction " + name, e);
        }
    }
    // Add Reactants
    try {
        Iterator<Element> iterator = param.getChildren(XMLTags.ReactantTag, vcNamespace).iterator();
        while (iterator.hasNext()) {
            Element temp = iterator.next();
            // Add Reactant to this SimpleReaction
            simplereaction.addReactionParticipant(getReactant(temp, simplereaction, model));
        }
    } catch (java.beans.PropertyVetoException e) {
        e.printStackTrace();
        throw new XmlParseException("Error adding a reactant to the reaction " + name, e);
    }
    // Add Products
    try {
        Iterator<Element> iterator = param.getChildren(XMLTags.ProductTag, vcNamespace).iterator();
        while (iterator.hasNext()) {
            Element temp = iterator.next();
            // Add Product to this simplereaction
            simplereaction.addReactionParticipant(getProduct(temp, simplereaction, model));
        }
    } catch (java.beans.PropertyVetoException e) {
        e.printStackTrace();
        throw new XmlParseException("Error adding a product to the reaction " + name + " : ", e);
    }
    // Add Catalyst(Modifiers)
    try {
        Iterator<Element> iterator = param.getChildren(XMLTags.CatalystTag, vcNamespace).iterator();
        while (iterator.hasNext()) {
            Element temp = iterator.next();
            simplereaction.addReactionParticipant(getCatalyst(temp, simplereaction, model));
        }
    } catch (java.beans.PropertyVetoException e) {
        e.printStackTrace();
        throw new XmlParseException("Error adding a catalyst to the reaction " + name, e);
    }
    // Add Kinetics
    Element tempKinet = param.getChild(XMLTags.KineticsTag, vcNamespace);
    if (tempKinet != null) {
        simplereaction.setKinetics(getKinetics(tempKinet, simplereaction, model));
    }
    // set the valence (for legacy support for "chargeCarrierValence" stored with reaction).
    String valenceString = null;
    try {
        valenceString = unMangle(param.getAttributeValue(XMLTags.FluxCarrierValenceAttrTag));
        if (valenceString != null && valenceString.length() > 0) {
            KineticsParameter chargeValenceParameter = simplereaction.getKinetics().getChargeValenceParameter();
            if (chargeValenceParameter != null) {
                chargeValenceParameter.setExpression(new Expression(Integer.parseInt(unMangle(valenceString))));
            }
        }
    } catch (NumberFormatException e) {
        e.printStackTrace();
        throw new XmlParseException("A NumberFormatException was fired when setting the (integer) valence '" + valenceString + "' (integer) to the reaction " + name, e);
    }
    return simplereaction;
}

Example 42 with SimpleReaction

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

the class ReactionPropertiesPanel method updateKineticChoice.

private void updateKineticChoice() {
    KineticsDescription newKineticChoice = (KineticsDescription) getKineticsTypeComboBox().getSelectedItem();
    // 
    if (reactionStep == null || reactionStep.getKinetics().getKineticsDescription().equals(newKineticChoice)) {
        return;
    }
    boolean bFoundKineticType = false;
    KineticsDescription[] kineticTypes = reactionStep instanceof SimpleReaction ? Simple_Reaction_Kinetic_Types : Flux_Reaction_KineticTypes;
    for (int i = 0; i < kineticTypes.length; i++) {
        if (kineticTypes[i].equals(newKineticChoice)) {
            bFoundKineticType = true;
            break;
        }
    }
    if (!bFoundKineticType) {
        return;
    }
    try {
        reactionStep.setKinetics(newKineticChoice.createKinetics(reactionStep));
    } catch (Exception exc) {
        handleException(exc);
    }
}

Example 43 with SimpleReaction

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

the class FRAPStudy method createNewSimBioModel.

public static BioModel createNewSimBioModel(FRAPStudy sourceFrapStudy, Parameter[] params, TimeStep tStep, KeyValue simKey, User owner, int startingIndexForRecovery) throws Exception {
    if (owner == null) {
        throw new Exception("Owner is not defined");
    }
    ROI cellROI_2D = sourceFrapStudy.getFrapData().getRoi(FRAPData.VFRAP_ROI_ENUM.ROI_CELL.name());
    double df = params[FRAPModel.INDEX_PRIMARY_DIFF_RATE].getInitialGuess();
    double ff = params[FRAPModel.INDEX_PRIMARY_FRACTION].getInitialGuess();
    double bwmRate = params[FRAPModel.INDEX_BLEACH_MONITOR_RATE].getInitialGuess();
    double dc = 0;
    double fc = 0;
    double bs = 0;
    double onRate = 0;
    double offRate = 0;
    if (params.length == FRAPModel.NUM_MODEL_PARAMETERS_TWO_DIFF) {
        dc = params[FRAPModel.INDEX_SECONDARY_DIFF_RATE].getInitialGuess();
        fc = params[FRAPModel.INDEX_SECONDARY_FRACTION].getInitialGuess();
    } else if (params.length == FRAPModel.NUM_MODEL_PARAMETERS_BINDING) {
        dc = params[FRAPModel.INDEX_SECONDARY_DIFF_RATE].getInitialGuess();
        fc = params[FRAPModel.INDEX_SECONDARY_FRACTION].getInitialGuess();
        bs = params[FRAPModel.INDEX_BINDING_SITE_CONCENTRATION].getInitialGuess();
        onRate = params[FRAPModel.INDEX_ON_RATE].getInitialGuess();
        offRate = params[FRAPModel.INDEX_OFF_RATE].getInitialGuess();
    }
    // immobile fraction
    double fimm = 1 - ff - fc;
    if (fimm < FRAPOptimizationUtils.epsilon && fimm > (0 - FRAPOptimizationUtils.epsilon)) {
        fimm = 0;
    }
    if (fimm < (1 + FRAPOptimizationUtils.epsilon) && fimm > (1 - FRAPOptimizationUtils.epsilon)) {
        fimm = 1;
    }
    Extent extent = sourceFrapStudy.getFrapData().getImageDataset().getExtent();
    double[] timeStamps = sourceFrapStudy.getFrapData().getImageDataset().getImageTimeStamps();
    TimeBounds timeBounds = new TimeBounds(0.0, timeStamps[timeStamps.length - 1] - timeStamps[startingIndexForRecovery]);
    double timeStepVal = timeStamps[startingIndexForRecovery + 1] - timeStamps[startingIndexForRecovery];
    int numX = cellROI_2D.getRoiImages()[0].getNumX();
    int numY = cellROI_2D.getRoiImages()[0].getNumY();
    int numZ = cellROI_2D.getRoiImages().length;
    short[] shortPixels = cellROI_2D.getRoiImages()[0].getPixels();
    byte[] bytePixels = new byte[numX * numY * numZ];
    final byte EXTRACELLULAR_PIXVAL = 0;
    final byte CYTOSOL_PIXVAL = 1;
    for (int i = 0; i < bytePixels.length; i++) {
        if (shortPixels[i] != 0) {
            bytePixels[i] = CYTOSOL_PIXVAL;
        }
    }
    VCImage maskImage;
    try {
        maskImage = new VCImageUncompressed(null, bytePixels, extent, numX, numY, numZ);
    } catch (ImageException e) {
        e.printStackTrace();
        throw new RuntimeException("failed to create mask image for geometry");
    }
    Geometry geometry = new Geometry("geometry", maskImage);
    if (geometry.getGeometrySpec().getNumSubVolumes() != 2) {
        throw new Exception("Cell ROI has no ExtraCellular.");
    }
    int subVolume0PixVal = ((ImageSubVolume) geometry.getGeometrySpec().getSubVolume(0)).getPixelValue();
    geometry.getGeometrySpec().getSubVolume(0).setName((subVolume0PixVal == EXTRACELLULAR_PIXVAL ? EXTRACELLULAR_NAME : CYTOSOL_NAME));
    int subVolume1PixVal = ((ImageSubVolume) geometry.getGeometrySpec().getSubVolume(1)).getPixelValue();
    geometry.getGeometrySpec().getSubVolume(1).setName((subVolume1PixVal == CYTOSOL_PIXVAL ? CYTOSOL_NAME : EXTRACELLULAR_NAME));
    geometry.getGeometrySurfaceDescription().updateAll();
    BioModel bioModel = new BioModel(null);
    bioModel.setName("unnamed");
    Model model = new Model("model");
    bioModel.setModel(model);
    model.addFeature(EXTRACELLULAR_NAME);
    Feature extracellular = (Feature) model.getStructure(EXTRACELLULAR_NAME);
    model.addFeature(CYTOSOL_NAME);
    Feature cytosol = (Feature) model.getStructure(CYTOSOL_NAME);
    // Membrane mem = model.addMembrane(EXTRACELLULAR_CYTOSOL_MEM_NAME);
    // model.getStructureTopology().setInsideFeature(mem, cytosol);
    // model.getStructureTopology().setOutsideFeature(mem, extracellular);
    String roiDataName = FRAPStudy.ROI_EXTDATA_NAME;
    final int SPECIES_COUNT = 4;
    final int FREE_SPECIES_INDEX = 0;
    final int BS_SPECIES_INDEX = 1;
    final int COMPLEX_SPECIES_INDEX = 2;
    final int IMMOBILE_SPECIES_INDEX = 3;
    Expression[] diffusionConstants = null;
    Species[] species = null;
    SpeciesContext[] speciesContexts = null;
    Expression[] initialConditions = null;
    diffusionConstants = new Expression[SPECIES_COUNT];
    species = new Species[SPECIES_COUNT];
    speciesContexts = new SpeciesContext[SPECIES_COUNT];
    initialConditions = new Expression[SPECIES_COUNT];
    // total initial condition
    FieldFunctionArguments postBleach_first = new FieldFunctionArguments(roiDataName, "postbleach_first", new Expression(0), VariableType.VOLUME);
    FieldFunctionArguments prebleach_avg = new FieldFunctionArguments(roiDataName, "prebleach_avg", new Expression(0), VariableType.VOLUME);
    Expression expPostBleach_first = new Expression(postBleach_first.infix());
    Expression expPreBleach_avg = new Expression(prebleach_avg.infix());
    Expression totalIniCondition = Expression.div(expPostBleach_first, expPreBleach_avg);
    // Free Species
    diffusionConstants[FREE_SPECIES_INDEX] = new Expression(df);
    species[FREE_SPECIES_INDEX] = new Species(FRAPStudy.SPECIES_NAME_PREFIX_MOBILE, "Mobile bleachable species");
    speciesContexts[FREE_SPECIES_INDEX] = new SpeciesContext(null, species[FREE_SPECIES_INDEX].getCommonName(), species[FREE_SPECIES_INDEX], cytosol);
    initialConditions[FREE_SPECIES_INDEX] = Expression.mult(new Expression(ff), totalIniCondition);
    // Immobile Species (No diffusion)
    // Set very small diffusion rate on immobile to force evaluation as state variable (instead of FieldData function)
    // If left as a function errors occur because functions involving FieldData require a database connection
    final String IMMOBILE_DIFFUSION_KLUDGE = "1e-14";
    diffusionConstants[IMMOBILE_SPECIES_INDEX] = new Expression(IMMOBILE_DIFFUSION_KLUDGE);
    species[IMMOBILE_SPECIES_INDEX] = new Species(FRAPStudy.SPECIES_NAME_PREFIX_IMMOBILE, "Immobile bleachable species");
    speciesContexts[IMMOBILE_SPECIES_INDEX] = new SpeciesContext(null, species[IMMOBILE_SPECIES_INDEX].getCommonName(), species[IMMOBILE_SPECIES_INDEX], cytosol);
    initialConditions[IMMOBILE_SPECIES_INDEX] = Expression.mult(new Expression(fimm), totalIniCondition);
    // BS Species
    diffusionConstants[BS_SPECIES_INDEX] = new Expression(IMMOBILE_DIFFUSION_KLUDGE);
    species[BS_SPECIES_INDEX] = new Species(FRAPStudy.SPECIES_NAME_PREFIX_BINDING_SITE, "Binding Site species");
    speciesContexts[BS_SPECIES_INDEX] = new SpeciesContext(null, species[BS_SPECIES_INDEX].getCommonName(), species[BS_SPECIES_INDEX], cytosol);
    initialConditions[BS_SPECIES_INDEX] = Expression.mult(new Expression(bs), totalIniCondition);
    // Complex species
    diffusionConstants[COMPLEX_SPECIES_INDEX] = new Expression(dc);
    species[COMPLEX_SPECIES_INDEX] = new Species(FRAPStudy.SPECIES_NAME_PREFIX_SLOW_MOBILE, "Slower mobile bleachable species");
    speciesContexts[COMPLEX_SPECIES_INDEX] = new SpeciesContext(null, species[COMPLEX_SPECIES_INDEX].getCommonName(), species[COMPLEX_SPECIES_INDEX], cytosol);
    initialConditions[COMPLEX_SPECIES_INDEX] = Expression.mult(new Expression(fc), totalIniCondition);
    // add reactions to species if there is bleachWhileMonitoring rate.
    for (int i = 0; i < initialConditions.length; i++) {
        model.addSpecies(species[i]);
        model.addSpeciesContext(speciesContexts[i]);
        // reaction with BMW rate, which should not be applied to binding site
        if (!(species[i].getCommonName().equals(FRAPStudy.SPECIES_NAME_PREFIX_BINDING_SITE))) {
            SimpleReaction simpleReaction = new SimpleReaction(model, cytosol, speciesContexts[i].getName() + "_bleach", true);
            model.addReactionStep(simpleReaction);
            simpleReaction.addReactant(speciesContexts[i], 1);
            MassActionKinetics massActionKinetics = new MassActionKinetics(simpleReaction);
            simpleReaction.setKinetics(massActionKinetics);
            KineticsParameter kforward = massActionKinetics.getForwardRateParameter();
            simpleReaction.getKinetics().setParameterValue(kforward, new Expression(new Double(bwmRate)));
        }
    }
    // add the binding reaction: F + BS <-> C
    SimpleReaction simpleReaction2 = new SimpleReaction(model, cytosol, "reac_binding", true);
    model.addReactionStep(simpleReaction2);
    simpleReaction2.addReactant(speciesContexts[FREE_SPECIES_INDEX], 1);
    simpleReaction2.addReactant(speciesContexts[BS_SPECIES_INDEX], 1);
    simpleReaction2.addProduct(speciesContexts[COMPLEX_SPECIES_INDEX], 1);
    MassActionKinetics massActionKinetics = new MassActionKinetics(simpleReaction2);
    simpleReaction2.setKinetics(massActionKinetics);
    KineticsParameter kforward = massActionKinetics.getForwardRateParameter();
    KineticsParameter kreverse = massActionKinetics.getReverseRateParameter();
    simpleReaction2.getKinetics().setParameterValue(kforward, new Expression(new Double(onRate)));
    simpleReaction2.getKinetics().setParameterValue(kreverse, new Expression(new Double(offRate)));
    // create simulation context
    SimulationContext simContext = new SimulationContext(bioModel.getModel(), geometry);
    bioModel.addSimulationContext(simContext);
    FeatureMapping cytosolFeatureMapping = (FeatureMapping) simContext.getGeometryContext().getStructureMapping(cytosol);
    FeatureMapping extracellularFeatureMapping = (FeatureMapping) simContext.getGeometryContext().getStructureMapping(extracellular);
    // Membrane plasmaMembrane = model.getStructureTopology().getMembrane(cytosol, extracellular);
    // MembraneMapping plasmaMembraneMapping = (MembraneMapping)simContext.getGeometryContext().getStructureMapping(plasmaMembrane);
    SubVolume cytSubVolume = geometry.getGeometrySpec().getSubVolume(CYTOSOL_NAME);
    SubVolume exSubVolume = geometry.getGeometrySpec().getSubVolume(EXTRACELLULAR_NAME);
    SurfaceClass pmSurfaceClass = geometry.getGeometrySurfaceDescription().getSurfaceClass(exSubVolume, cytSubVolume);
    cytosolFeatureMapping.setGeometryClass(cytSubVolume);
    extracellularFeatureMapping.setGeometryClass(exSubVolume);
    // plasmaMembraneMapping.setGeometryClass(pmSurfaceClass);
    cytosolFeatureMapping.getUnitSizeParameter().setExpression(new Expression(1.0));
    extracellularFeatureMapping.getUnitSizeParameter().setExpression(new Expression(1.0));
    for (int i = 0; i < speciesContexts.length; i++) {
        SpeciesContextSpec scs = simContext.getReactionContext().getSpeciesContextSpec(speciesContexts[i]);
        scs.getInitialConditionParameter().setExpression(initialConditions[i]);
        scs.getDiffusionParameter().setExpression(diffusionConstants[i]);
    }
    MathMapping mathMapping = simContext.createNewMathMapping();
    MathDescription mathDesc = mathMapping.getMathDescription();
    // Add total fluorescence as function of mobile(optional: and slower mobile) and immobile fractions
    mathDesc.addVariable(new Function(FRAPStudy.SPECIES_NAME_PREFIX_COMBINED, new Expression(species[FREE_SPECIES_INDEX].getCommonName() + "+" + species[COMPLEX_SPECIES_INDEX].getCommonName() + "+" + species[IMMOBILE_SPECIES_INDEX].getCommonName()), null));
    simContext.setMathDescription(mathDesc);
    SimulationVersion simVersion = new SimulationVersion(simKey, "sim1", owner, new GroupAccessNone(), new KeyValue("0"), new BigDecimal(0), new Date(), VersionFlag.Current, "", null);
    Simulation newSimulation = new Simulation(simVersion, mathDesc);
    simContext.addSimulation(newSimulation);
    newSimulation.getSolverTaskDescription().setTimeBounds(timeBounds);
    newSimulation.getMeshSpecification().setSamplingSize(cellROI_2D.getISize());
    // newSimulation.getSolverTaskDescription().setTimeStep(timeStep); // Sundials doesn't need time step
    newSimulation.getSolverTaskDescription().setSolverDescription(SolverDescription.SundialsPDE);
    // use exp time step as output time spec
    newSimulation.getSolverTaskDescription().setOutputTimeSpec(new UniformOutputTimeSpec(timeStepVal));
    return bioModel;
}

Example 44 with SimpleReaction

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

the class AnnotationMapping method createInteraction.

private Interaction createInteraction(ReactionStep reactionStep, ArrayList<Xref> xRef, ArrayList<String> name) {
    Interaction interaction = null;
    if (reactionStep instanceof SimpleReaction) {
        interaction = new BiochemicalReactionImpl();
    } else if (reactionStep instanceof FluxReaction) {
        interaction = new TransportImpl();
    }
    interaction.setName(name);
    interaction.setID("BIOMODEL_" + reactionStep.getName());
    for (Xref ref : xRef) {
        interaction.getxRef().add(ref);
    }
    return interaction;
}

Example 45 with SimpleReaction

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

the class PathwayMapping method parseReaction.

private ReactionParticipant[] parseReaction(ReactionStep reactionStep, BioModel bioModel, RelationshipObject relationshipObject) throws ExpressionException, PropertyVetoException {
    if (reactionStep == null || bioModel == null || bioModel.getRelationshipModel() == null) {
        return null;
    }
    // create the reaction equation string
    String leftHand = getParticipantsString(((Conversion) relationshipObject.getBioPaxObject()).getLeft());
    String rightHand = getParticipantsString(((Conversion) relationshipObject.getBioPaxObject()).getRight());
    StringTokenizer st = new StringTokenizer(leftHand, "+");
    HashMap<String, SpeciesContext> speciesContextMap = new HashMap<String, SpeciesContext>();
    ArrayList<ReactionParticipant> rplist = new ArrayList<ReactionParticipant>();
    // create and add reaction participants to list for left-hand side of equation
    Model model = bioModel.getModel();
    Structure structure = reactionStep.getStructure();
    while (st.hasMoreElements()) {
        String nextToken = st.nextToken().trim();
        if (nextToken.length() == 0) {
            continue;
        }
        int stoichiIndex = 0;
        while (true) {
            if (Character.isDigit(nextToken.charAt(stoichiIndex))) {
                stoichiIndex++;
            } else {
                break;
            }
        }
        int stoichi = 1;
        String tmp = nextToken.substring(0, stoichiIndex);
        if (tmp.length() > 0) {
            stoichi = Integer.parseInt(tmp);
        }
        String var = nextToken.substring(stoichiIndex).trim();
        // get speciesContext object based on its name
        // if the speciesContext is not existed, create a new one
        SpeciesContext sc = model.getSpeciesContext(var);
        if (sc == null) {
            sc = speciesContextMap.get(var);
            if (sc == null) {
                // get species object based on its name
                // if the species is not existed, create a new one
                Species species = model.getSpecies(var);
                if (species == null) {
                    species = new Species(var, null);
                }
                sc = new SpeciesContext(species, structure);
                sc.setName(var);
                speciesContextMap.put(var, sc);
            }
        }
        // add the existed speciesContext objects or new speciesContext objects to reaction participant list
        if (reactionStep instanceof SimpleReaction || reactionStep instanceof FluxReaction) {
            rplist.add(new Reactant(null, (SimpleReaction) reactionStep, sc, stoichi));
        }
    }
    // create and add reaction participants to list for right-hand side of equation
    st = new StringTokenizer(rightHand, "+");
    while (st.hasMoreElements()) {
        String nextToken = st.nextToken().trim();
        if (nextToken.length() == 0) {
            continue;
        }
        int stoichiIndex = 0;
        while (true) {
            if (Character.isDigit(nextToken.charAt(stoichiIndex))) {
                stoichiIndex++;
            } else {
                break;
            }
        }
        int stoichi = 1;
        String tmp = nextToken.substring(0, stoichiIndex);
        if (tmp.length() > 0) {
            stoichi = Integer.parseInt(tmp);
        }
        String var = nextToken.substring(stoichiIndex);
        SpeciesContext sc = model.getSpeciesContext(var);
        if (sc == null) {
            sc = speciesContextMap.get(var);
            if (sc == null) {
                Species species = model.getSpecies(var);
                if (species == null) {
                    species = new Species(var, null);
                }
                sc = new SpeciesContext(species, structure);
                sc.setName(var);
                speciesContextMap.put(var, sc);
            }
        }
        if (reactionStep instanceof SimpleReaction || reactionStep instanceof FluxReaction) {
            rplist.add(new Product(null, (SimpleReaction) reactionStep, sc, stoichi));
        }
    }
    return rplist.toArray(new ReactionParticipant[0]);
}