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

Example 6 with DistributedKinetics

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

the class ReactionPropertiesPanel method getJToggleButton.

private JButton getJToggleButton() {
    if (jToggleButton == null) {
        jToggleButton = new JButton("Convert");
        jToggleButton.addActionListener(new java.awt.event.ActionListener() {

            public void actionPerformed(java.awt.event.ActionEvent e) {
                ModelUnitSystem modelUnitSystem = reactionStep.getModel().getUnitSystem();
                Kinetics kinetics = reactionStep.getKinetics();
                if (kinetics instanceof DistributedKinetics) {
                    try {
                        reactionStep.setKinetics(LumpedKinetics.toLumpedKinetics((DistributedKinetics) kinetics));
                    } catch (Exception e2) {
                        e2.printStackTrace(System.out);
                        if (kinetics.getKineticsDescription().isElectrical()) {
                            DialogUtils.showErrorDialog(ReactionPropertiesPanel.this, "failed to translate into General Current Kinetics [" + modelUnitSystem.getCurrentUnit().getSymbolUnicode() + "]: " + e2.getMessage(), e2);
                        } else {
                            DialogUtils.showErrorDialog(ReactionPropertiesPanel.this, "failed to translate into General Lumped Kinetics [" + modelUnitSystem.getLumpedReactionRateUnit().getSymbolUnicode() + "]: " + e2.getMessage(), e2);
                        }
                    }
                } else if (kinetics instanceof LumpedKinetics) {
                    try {
                        reactionStep.setKinetics(DistributedKinetics.toDistributedKinetics((LumpedKinetics) kinetics));
                    } catch (Exception e2) {
                        e2.printStackTrace(System.out);
                        if (kinetics.getKineticsDescription().isElectrical()) {
                            DialogUtils.showErrorDialog(ReactionPropertiesPanel.this, "failed to translate into General Current Density Kinetics [" + modelUnitSystem.getCurrentDensityUnit().getSymbolUnicode() + "]: " + e2.getMessage(), e2);
                        } else {
                            if (kinetics.getReactionStep().getStructure() instanceof Feature) {
                                DialogUtils.showErrorDialog(ReactionPropertiesPanel.this, "failed to translate into General Kinetics [" + modelUnitSystem.getVolumeReactionRateUnit().getSymbolUnicode() + "]: " + e2.getMessage(), e2);
                            } else {
                                DialogUtils.showErrorDialog(ReactionPropertiesPanel.this, "failed to translate into General Kinetics [" + modelUnitSystem.getMembraneReactionRateUnit().getSymbolUnicode() + "]: " + e2.getMessage(), e2);
                            }
                        }
                    }
                }
            }
        });
    }
    return jToggleButton;
}

Example 7 with DistributedKinetics

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

the class BNGWindowManager method importSbml.

/**
 * Comment
 */
public void importSbml(String bngSbmlStr) {
    if (bngSbmlStr == null || bngSbmlStr.length() == 0) {
        throw new RuntimeException("SBMl string is empty, cannot import into VCell.");
    }
    // 
    // 1. Convert SBML string from BNG to SBML model, add unitDefintions to SBML model using VCell sbml compatible unit system
    // 2. Import unit modified SBML model into VCell as biomodel
    // 3. Enforce "cleaner" (looking) units on this imported biomodel (can use the units added to the sbml model above)
    // 4. Convert all LumpedKinetics reactions into DistributedKinetics.
    // 4. Convert this biomodel into vcml string and pass it into XMLInfo and then to RequestManager to open document.
    // 
    ModelUnitSystem mus = ModelUnitSystem.createDefaultVCModelUnitSystem();
    ModelUnitSystem sbmlCompatibleVCModelUnitSystem = ModelUnitSystem.createSBMLUnitSystem(mus.getVolumeSubstanceUnit(), mus.getVolumeUnit(), mus.getAreaUnit(), mus.getLengthUnit(), mus.getTimeUnit());
    // display to user to change units if desired.
    UnitSystemSelectionPanel unitSystemSelectionPanel = new UnitSystemSelectionPanel(true);
    unitSystemSelectionPanel.initialize(sbmlCompatibleVCModelUnitSystem);
    int retcode = DialogUtils.showComponentOKCancelDialog(getBngOutputPanel(), unitSystemSelectionPanel, "Select new unit system to import into VCell");
    ModelUnitSystem forcedModelUnitSystem = null;
    while (retcode == JOptionPane.OK_OPTION) {
        try {
            forcedModelUnitSystem = unitSystemSelectionPanel.createModelUnitSystem();
            break;
        } catch (Exception e) {
            e.printStackTrace(System.out);
            DialogUtils.showErrorDialog(getBngOutputPanel(), e.getMessage(), e);
            retcode = DialogUtils.showComponentOKCancelDialog(getBngOutputPanel(), unitSystemSelectionPanel, "Select new unit system to import into VCell");
        }
    }
    if (forcedModelUnitSystem == null) {
        DialogUtils.showErrorDialog(getBngOutputPanel(), "Units are required for import into Virtual Cell.");
    }
    try {
        // SBMLUnitTranslator.addUnitDefinitionsToSbmlModel(bngSbmlStr, forcedModelUnitSystem);
        String modifiedSbmlStr = bngSbmlStr;
        // Create a default VCLogger - SBMLImporter needs it
        cbit.util.xml.VCLogger logger = new cbit.util.xml.VCLogger() {

            @Override
            public void sendMessage(Priority p, ErrorType et, String message) throws Exception {
                System.err.println("LOGGER: msgLevel=" + p + ", msgType=" + et + ", " + message);
                if (p == VCLogger.Priority.HighPriority) {
                    throw new RuntimeException("Import failed : " + message);
                }
            }

            public void sendAllMessages() {
            }

            public boolean hasMessages() {
                return false;
            }
        };
        // import sbml String into VCell biomodel
        File sbmlFile = File.createTempFile("temp", ".xml");
        sbmlFile.deleteOnExit();
        XmlUtil.writeXMLStringToFile(modifiedSbmlStr, sbmlFile.getAbsolutePath(), true);
        org.vcell.sbml.vcell.SBMLImporter sbmlImporter = new SBMLImporter(sbmlFile.getAbsolutePath(), logger, false);
        BioModel bioModel = sbmlImporter.getBioModel();
        // enforce 'cleaner looking' units on vc biomodel (the process of adding unit defintion to sbml model messes up the units, though they are correct units (eg., 1e-6m for um).
        BioModel modifiedBiomodel = ModelUnitConverter.createBioModelWithNewUnitSystem(bioModel, forcedModelUnitSystem);
        // convert any reaction that has GeneralLumpedKinetics to GeneralKinetics
        for (ReactionStep rs : modifiedBiomodel.getModel().getReactionSteps()) {
            Kinetics kinetics = rs.getKinetics();
            if (kinetics instanceof LumpedKinetics) {
                rs.setKinetics(DistributedKinetics.toDistributedKinetics((LumpedKinetics) kinetics));
            }
        }
        // convert biomodel to vcml string
        String vcmlString = XmlHelper.bioModelToXML(modifiedBiomodel);
        ExternalDocInfo externalDocInfo = new ExternalDocInfo(vcmlString);
        if (externalDocInfo != null) {
            getRequestManager().openDocument(externalDocInfo, this, true);
        }
    } catch (Exception e) {
        e.printStackTrace(System.out);
        throw new RuntimeException("Cound not convert BNG sbml string to VCell biomodel : ", e);
    }
}

Example 8 with DistributedKinetics

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

the class ElectricalCircuitGraph method getTotalMembraneCurrent.

/**
 * Insert the method's description here.
 * Creation date: (2/19/2002 12:56:13 PM)
 * @return cbit.vcell.parser.Expression
 * @param simContext cbit.vcell.mapping.SimulationContext
 * @param membrane cbit.vcell.model.Membrane
 */
private static Expression getTotalMembraneCurrent(SimulationContext simContext, Membrane membrane, AbstractMathMapping mathMapping) throws ExpressionException {
    MembraneMapping membraneMapping = (MembraneMapping) simContext.getGeometryContext().getStructureMapping(membrane);
    if (!membraneMapping.getCalculateVoltage()) {
        return new Expression(0.0);
    }
    // 
    // gather current terms
    // 
    Expression currentExp = new Expression(0.0);
    ReactionSpec[] reactionSpecs = simContext.getReactionContext().getReactionSpecs();
    StructureMappingParameter sizeParameter = membraneMapping.getSizeParameter();
    Expression area = null;
    if (simContext.getGeometry().getDimension() == 0 && (sizeParameter.getExpression() == null || sizeParameter.getExpression().isZero())) {
        System.out.println("size not set for membrane \"" + membrane.getName() + "\", refer to Structure Mapping in Application \"" + mathMapping.getSimulationContext().getName() + "\"");
        area = membraneMapping.getNullSizeParameterValue();
    } else {
        area = new Expression(sizeParameter, mathMapping.getNameScope());
    }
    for (int i = 0; i < reactionSpecs.length; i++) {
        // 
        if (reactionSpecs[i].isExcluded()) {
            continue;
        }
        if (reactionSpecs[i].getReactionStep().getKinetics() instanceof DistributedKinetics) {
            ReactionStep rs = reactionSpecs[i].getReactionStep();
            DistributedKinetics distributedKinetics = (DistributedKinetics) rs.getKinetics();
            if (rs.getStructure() == membrane) {
                if (!distributedKinetics.getCurrentDensityParameter().getExpression().isZero()) {
                    // 
                    // change sign convension from inward current to outward current (which is consistent with voltage convension)
                    // 
                    currentExp = Expression.add(currentExp, Expression.negate(Expression.mult(new Expression(distributedKinetics.getCurrentDensityParameter(), mathMapping.getNameScope()), area)));
                }
            }
        } else {
            ReactionStep rs = reactionSpecs[i].getReactionStep();
            LumpedKinetics lumpedKinetics = (LumpedKinetics) rs.getKinetics();
            if (rs.getStructure() == membrane) {
                if (!lumpedKinetics.getLumpedCurrentParameter().getExpression().isZero()) {
                    // 
                    if (!(membraneMapping.getGeometryClass() instanceof CompartmentSubVolume)) {
                        throw new RuntimeException("math generation for total currents within spatial electrophysiology not yet implemented");
                    }
                    Expression lumpedCurrentSymbolExp = new Expression(lumpedKinetics.getLumpedCurrentParameter(), mathMapping.getNameScope());
                    currentExp = Expression.add(currentExp, Expression.negate(lumpedCurrentSymbolExp));
                }
            }
        }
    }
    return currentExp.flatten();
}

Example 9 with DistributedKinetics

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

the class MembraneStructureAnalyzer method refreshResolvedFluxes.

/**
 * This method was created in VisualAge.
 */
void refreshResolvedFluxes() throws Exception {
    // System.out.println("MembraneStructureAnalyzer.refreshResolvedFluxes()");
    GeometryContext geoContext = mathMapping_4_8.getSimulationContext().getGeometryContext();
    StructureTopology structTopology = mathMapping_4_8.getSimulationContext().getModel().getStructureTopology();
    Vector<ResolvedFlux> resolvedFluxList = new Vector<ResolvedFlux>();
    // 
    // for each reaction, get all fluxReactions associated with this membrane
    // 
    Vector<ReactionStep> fluxList = new Vector<ReactionStep>();
    ReactionSpec[] reactionSpecs = mathMapping_4_8.getSimulationContext().getReactionContext().getReactionSpecs();
    for (int j = 0; j < reactionSpecs.length; j++) {
        if (reactionSpecs[j].isExcluded()) {
            continue;
        }
        ReactionStep rs = reactionSpecs[j].getReactionStep();
        if (rs.getStructure() == getMembrane()) {
            if (rs instanceof FluxReaction) {
                fluxList.addElement(rs);
            }
        }
    }
    // 
    for (int i = 0; i < fluxList.size(); i++) {
        FluxReaction fr = (FluxReaction) fluxList.elementAt(i);
        Species fluxCarrier = null;
        for (ReactionParticipant rp : fr.getReactionParticipants()) {
            if (rp instanceof Reactant || rp instanceof Product) {
                if (fluxCarrier == null) {
                    fluxCarrier = rp.getSpecies();
                } else {
                    if (fluxCarrier != rp.getSpecies()) {
                        throw new Exception("Flux reaction '" + fr.getName() + "' with multiple species not allowed in VCell 4.8.");
                    }
                }
            }
        }
        if (fluxCarrier == null) {
            continue;
        }
        ResolvedFlux rf = null;
        for (int j = 0; j < resolvedFluxList.size(); j++) {
            ResolvedFlux rf_tmp = (ResolvedFlux) resolvedFluxList.elementAt(j);
            if (rf_tmp.getSpecies() == fluxCarrier) {
                rf = rf_tmp;
            }
        }
        // 
        // if "inside" speciesContext is not "fixed", add flux to ResolvedFlux
        // 
        SpeciesContext insideSpeciesContext = mathMapping_4_8.getSimulationContext().getModel().getSpeciesContext(fluxCarrier, structTopology.getInsideFeature(getMembrane()));
        SpeciesContextSpec insideSpeciesContextSpec = mathMapping_4_8.getSimulationContext().getReactionContext().getSpeciesContextSpec(insideSpeciesContext);
        // if (!insideSpeciesContextSpec.isConstant()){
        if (bNoFluxIfFixed || !insideSpeciesContextSpec.isConstant()) {
            if (bNoFluxIfFixed && insideSpeciesContextSpec.isConstant()) {
                bNoFluxIfFixedExercised = true;
            }
            if (rf == null) {
                rf = new ResolvedFlux(fluxCarrier, fr.getKinetics().getKineticsParameterFromRole(Kinetics.ROLE_ReactionRate).getUnitDefinition());
                resolvedFluxList.addElement(rf);
            }
            FeatureMapping insideFeatureMapping = (FeatureMapping) geoContext.getStructureMapping((structTopology.getInsideFeature((Membrane) fr.getStructure())));
            Expression residualVolumeFraction = mathMapping_4_8.getResidualVolumeFraction(insideFeatureMapping).renameBoundSymbols(mathMapping_4_8.getNameScope());
            Expression insideFluxCorrection = Expression.invert(residualVolumeFraction);
            // 
            if (bResolvedFluxCorrectionBug && !residualVolumeFraction.compareEqual(new Expression(1.0))) {
                bResolvedFluxCorrectionBugExercised = true;
                System.out.println("MembraneStructureAnalyzer.refreshResolvedFluxes() ... 'ResolvedFluxCorrection' bug compatability mode");
                insideFluxCorrection = new Expression(1.0);
            }
            // 
            if (fr.getKinetics() instanceof DistributedKinetics) {
                Expression reactionRateParameter = new Expression(((DistributedKinetics) fr.getKinetics()).getReactionRateParameter(), mathMapping_4_8.getNameScope());
                if (rf.inFluxExpression.isZero()) {
                    rf.inFluxExpression = Expression.mult(reactionRateParameter, insideFluxCorrection).flatten();
                } else {
                    rf.inFluxExpression = Expression.add(rf.inFluxExpression, Expression.mult(reactionRateParameter, insideFluxCorrection).flatten());
                }
            } else if (fr.getKinetics() instanceof LumpedKinetics) {
                throw new RuntimeException("Lumped Kinetics for fluxes not yet supported");
            } else {
                throw new RuntimeException("unexpected Kinetic type in MembraneStructureAnalyzer.refreshResolvedFluxes()");
            }
        // rf.inFlux.bindExpression(mathMapping);
        }
        SpeciesContext outsideSpeciesContext = mathMapping_4_8.getSimulationContext().getModel().getSpeciesContext(fluxCarrier, structTopology.getOutsideFeature(getMembrane()));
        SpeciesContextSpec outsideSpeciesContextSpec = mathMapping_4_8.getSimulationContext().getReactionContext().getSpeciesContextSpec(outsideSpeciesContext);
        // if (!outsideSpeciesContextSpec.isConstant()){
        if (bNoFluxIfFixed || !outsideSpeciesContextSpec.isConstant()) {
            if (bNoFluxIfFixed && outsideSpeciesContextSpec.isConstant()) {
                bNoFluxIfFixedExercised = true;
            }
            if (rf == null) {
                rf = new ResolvedFlux(fluxCarrier, fr.getKinetics().getKineticsParameterFromRole(Kinetics.ROLE_ReactionRate).getUnitDefinition());
                resolvedFluxList.addElement(rf);
            }
            FeatureMapping outsideFeatureMapping = (FeatureMapping) geoContext.getStructureMapping(structTopology.getOutsideFeature((Membrane) fr.getStructure()));
            Expression residualVolumeFraction = mathMapping_4_8.getResidualVolumeFraction(outsideFeatureMapping).renameBoundSymbols(mathMapping_4_8.getNameScope());
            Expression outsideFluxCorrection = Expression.invert(residualVolumeFraction);
            // 
            if (bResolvedFluxCorrectionBug && !residualVolumeFraction.compareEqual(new Expression(1.0))) {
                bResolvedFluxCorrectionBugExercised = true;
                System.out.println("MembraneStructureAnalyzer.refreshResolvedFluxes() ... 'ResolvedFluxCorrection' bug compatability mode");
                outsideFluxCorrection = new Expression(1.0);
            }
            // 
            if (fr.getKinetics() instanceof DistributedKinetics) {
                Expression reactionRateParameter = new Expression(((DistributedKinetics) fr.getKinetics()).getReactionRateParameter(), mathMapping_4_8.getNameScope());
                if (rf.outFluxExpression.isZero()) {
                    rf.outFluxExpression = Expression.mult(Expression.negate(reactionRateParameter), outsideFluxCorrection).flatten();
                } else {
                    rf.outFluxExpression = Expression.add(rf.outFluxExpression, Expression.mult(Expression.negate(reactionRateParameter), outsideFluxCorrection).flatten());
                }
            } else if (fr.getKinetics() instanceof LumpedKinetics) {
                throw new RuntimeException("Lumped Kinetics not yet supported for Flux Reaction: " + fr.getName());
            } else {
                throw new RuntimeException("unexpected Kinetics type for Flux Reaction " + fr.getName());
            }
        // rf.outFlux.bindExpression(mathMapping);
        }
    }
    // 
    // for each reaction, incorporate all reactionSteps involving binding with volumetric species
    // 
    double kMoleValue = 1 / 602.0;
    for (int i = 0; i < reactionSpecs.length; i++) {
        if (reactionSpecs[i].isExcluded()) {
            continue;
        }
        ReactionStep rs = reactionSpecs[i].getReactionStep();
        if (rs.getStructure() == getMembrane()) {
            if (rs instanceof SimpleReaction) {
                SimpleReaction sr = (SimpleReaction) rs;
                ReactionParticipant[] rp_Array = sr.getReactionParticipants();
                for (int k = 0; k < rp_Array.length; k++) {
                    if (rp_Array[k] instanceof Reactant || rp_Array[k] instanceof Product) {
                        SpeciesContextSpec scs = mathMapping_4_8.getSimulationContext().getReactionContext().getSpeciesContextSpec(rp_Array[k].getSpeciesContext());
                        // if (rp_Array[k].getStructure() instanceof Feature && !scs.isConstant()){
                        if (rp_Array[k].getStructure() instanceof Feature && (bNoFluxIfFixed || !scs.isConstant())) {
                            if (bNoFluxIfFixed && scs.isConstant()) {
                                bNoFluxIfFixedExercised = true;
                            }
                            // 
                            // for each Reactant or Product binding to this membrane...
                            // 
                            // 
                            // get ResolvedFlux for this species
                            // 
                            ResolvedFlux rf = null;
                            for (int j = 0; j < resolvedFluxList.size(); j++) {
                                ResolvedFlux rf_tmp = (ResolvedFlux) resolvedFluxList.elementAt(j);
                                if (rf_tmp.getSpecies() == rp_Array[k].getSpecies()) {
                                    rf = rf_tmp;
                                }
                            }
                            if (rf == null) {
                                rf = new ResolvedFlux(rp_Array[k].getSpecies(), sr.getKinetics().getKineticsParameterFromRole(Kinetics.ROLE_ReactionRate).getUnitDefinition());
                                resolvedFluxList.addElement(rf);
                            }
                            Expression reactionRateExpression = getReactionRateExpression(sr, rp_Array[k]).renameBoundSymbols(mathMapping_4_8.getNameScope());
                            if (rp_Array[k].getStructure() == structTopology.getInsideFeature(getMembrane())) {
                                // 
                                // for binding on inside, add to ResolvedFlux.inFlux
                                // 
                                FeatureMapping insideFeatureMapping = (FeatureMapping) geoContext.getStructureMapping(structTopology.getInsideFeature(getMembrane()));
                                Expression residualVolumeFraction = mathMapping_4_8.getResidualVolumeFraction(insideFeatureMapping).renameBoundSymbols(mathMapping_4_8.getNameScope());
                                Expression insideFluxCorrection = Expression.div(new Expression(kMoleValue), residualVolumeFraction).flatten();
                                // 
                                if (bResolvedFluxCorrectionBug && !residualVolumeFraction.compareEqual(new Expression(1.0))) {
                                    bResolvedFluxCorrectionBugExercised = true;
                                    System.out.println("MembraneStructureAnalyzer.refreshResolvedFluxes() ... 'ResolvedFluxCorrection' bug compatability mode");
                                    insideFluxCorrection = new Expression(kMoleValue);
                                }
                                if (rf.inFluxExpression.isZero()) {
                                    rf.inFluxExpression = Expression.mult(insideFluxCorrection, reactionRateExpression);
                                } else {
                                    rf.inFluxExpression = Expression.add(rf.inFluxExpression, Expression.mult(insideFluxCorrection, reactionRateExpression));
                                }
                            // rf.inFlux.bindExpression(mathMapping);
                            } else if (rp_Array[k].getStructure() == structTopology.getOutsideFeature(getMembrane())) {
                                // 
                                // for binding on outside, add to ResolvedFlux.outFlux
                                // 
                                FeatureMapping outsideFeatureMapping = (FeatureMapping) geoContext.getStructureMapping(structTopology.getOutsideFeature(getMembrane()));
                                Expression residualVolumeFraction = mathMapping_4_8.getResidualVolumeFraction(outsideFeatureMapping).renameBoundSymbols(mathMapping_4_8.getNameScope());
                                Expression outsideFluxCorrection = Expression.div(new Expression(kMoleValue), residualVolumeFraction).flatten();
                                // 
                                if (bResolvedFluxCorrectionBug && !residualVolumeFraction.compareEqual(new Expression(1.0))) {
                                    bResolvedFluxCorrectionBugExercised = true;
                                    System.out.println("MembraneStructureAnalyzer.refreshResolvedFluxes() ... 'ResolvedFluxCorrection' bug compatability mode");
                                    outsideFluxCorrection = new Expression(kMoleValue);
                                }
                                if (rf.outFluxExpression.isZero()) {
                                    rf.outFluxExpression = Expression.mult(outsideFluxCorrection, reactionRateExpression);
                                } else {
                                    rf.outFluxExpression = Expression.add(rf.outFluxExpression, Expression.mult(outsideFluxCorrection, reactionRateExpression));
                                }
                            // rf.outFlux.bindExpression(mathMapping);
                            } else {
                                throw new Exception("SpeciesContext " + rp_Array[k].getSpeciesContext().getName() + " doesn't border membrane " + getMembrane().getName() + " but reacts there");
                            }
                        }
                    }
                }
            }
        }
    }
    // 
    if (resolvedFluxList.size() > 0) {
        resolvedFluxes = new ResolvedFlux[resolvedFluxList.size()];
        resolvedFluxList.copyInto(resolvedFluxes);
    } else {
        resolvedFluxes = null;
    }
}

Example 10 with DistributedKinetics

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

the class MembraneStructureAnalyzer method refreshResolvedFluxes.

/**
 * This method was created in VisualAge.
 */
private void refreshResolvedFluxes() throws Exception {
    // System.out.println("MembraneStructureAnalyzer.refreshResolvedFluxes()");
    ModelUnitSystem unitSystem = mathMapping.getSimulationContext().getModel().getUnitSystem();
    GeometryContext geoContext = mathMapping.getSimulationContext().getGeometryContext();
    Vector<ResolvedFlux> resolvedFluxList = new Vector<ResolvedFlux>();
    // 
    // for each reaction, get all fluxReactions associated with this membrane
    // 
    Vector<FluxReaction> fluxList = new Vector<FluxReaction>();
    ReactionSpec[] reactionSpecs = mathMapping.getSimulationContext().getReactionContext().getReactionSpecs();
    for (int j = 0; j < reactionSpecs.length; j++) {
        if (reactionSpecs[j].isExcluded()) {
            continue;
        }
        ReactionStep rs = reactionSpecs[j].getReactionStep();
        if (rs.getStructure() != null && geoContext.getStructureMapping(rs.getStructure()).getGeometryClass() == surfaceClass) {
            if (rs instanceof FluxReaction) {
                fluxList.addElement((FluxReaction) rs);
            }
        }
    }
    // 
    for (int i = 0; i < fluxList.size(); i++) {
        FluxReaction fr = fluxList.elementAt(i);
        ReactionParticipant[] reactionParticipants = fr.getReactionParticipants();
        for (int j = 0; j < reactionParticipants.length; j++) {
            if (!(reactionParticipants[j] instanceof Reactant) && !(reactionParticipants[j] instanceof Product)) {
                continue;
            }
            ResolvedFlux rf = null;
            SpeciesContext speciesContext = reactionParticipants[j].getSpeciesContext();
            for (int k = 0; k < resolvedFluxList.size(); k++) {
                ResolvedFlux rf_tmp = resolvedFluxList.elementAt(k);
                if (rf_tmp.getSpeciesContext() == reactionParticipants[j].getSpeciesContext()) {
                    rf = rf_tmp;
                }
            }
            // 
            // if speciesContext is not "fixed" and is mapped to a volume, add flux to ResolvedFlux
            // 
            StructureMapping structureMapping = mathMapping.getSimulationContext().getGeometryContext().getStructureMapping(reactionParticipants[j].getStructure());
            if (structureMapping.getGeometryClass() == surfaceClass) {
                // flux within surface
                continue;
            }
            if (structureMapping.getGeometryClass() instanceof SubVolume && surfaceClass.isAdjacentTo((SubVolume) structureMapping.getGeometryClass())) {
                SpeciesContextSpec speciesContextSpec = mathMapping.getSimulationContext().getReactionContext().getSpeciesContextSpec(speciesContext);
                if (!speciesContextSpec.isConstant()) {
                    if (rf == null) {
                        VCUnitDefinition speciesFluxUnit = speciesContext.getUnitDefinition().multiplyBy(unitSystem.getLengthUnit()).divideBy(unitSystem.getTimeUnit());
                        rf = new ResolvedFlux(speciesContext, speciesFluxUnit);
                        resolvedFluxList.addElement(rf);
                    }
                    FeatureMapping featureMapping = (FeatureMapping) structureMapping;
                    Expression insideFluxCorrection = Expression.invert(new Expression(featureMapping.getVolumePerUnitVolumeParameter(), mathMapping.getNameScope()));
                    // 
                    if (fr.getKinetics() instanceof DistributedKinetics) {
                        KineticsParameter reactionRateParameter = ((DistributedKinetics) fr.getKinetics()).getReactionRateParameter();
                        Expression correctedReactionRate = Expression.mult(new Expression(reactionRateParameter, mathMapping.getNameScope()), insideFluxCorrection);
                        if (reactionParticipants[j] instanceof Product) {
                            if (rf.getFluxExpression().isZero()) {
                                rf.setFluxExpression(correctedReactionRate.flatten());
                            } else {
                                rf.setFluxExpression(Expression.add(rf.getFluxExpression(), correctedReactionRate.flatten()));
                            }
                        } else if (reactionParticipants[j] instanceof Reactant) {
                            if (rf.getFluxExpression().isZero()) {
                                rf.setFluxExpression(Expression.negate(correctedReactionRate).flatten());
                            } else {
                                rf.setFluxExpression(Expression.add(rf.getFluxExpression(), Expression.negate(correctedReactionRate).flatten()));
                            }
                        } else {
                            throw new RuntimeException("expected either FluxReactant or FluxProduct");
                        }
                    } else if (fr.getKinetics() instanceof LumpedKinetics) {
                        throw new RuntimeException("Lumped Kinetics for fluxes not yet supported");
                    } else {
                        throw new RuntimeException("unexpected Kinetic type in MembraneStructureAnalyzer.refreshResolvedFluxes()");
                    }
                    rf.getFluxExpression().bindExpression(mathMapping);
                }
            }
        }
    }
    // 
    for (int i = 0; i < reactionSpecs.length; i++) {
        if (reactionSpecs[i].isExcluded()) {
            continue;
        }
        ReactionStep rs = reactionSpecs[i].getReactionStep();
        if (rs.getStructure() != null && geoContext.getStructureMapping(rs.getStructure()).getGeometryClass() == surfaceClass) {
            if (rs instanceof SimpleReaction) {
                SimpleReaction sr = (SimpleReaction) rs;
                ReactionParticipant[] rp_Array = sr.getReactionParticipants();
                for (int k = 0; k < rp_Array.length; k++) {
                    if (rp_Array[k] instanceof Reactant || rp_Array[k] instanceof Product) {
                        SpeciesContextSpec rpSCS = mathMapping.getSimulationContext().getReactionContext().getSpeciesContextSpec(rp_Array[k].getSpeciesContext());
                        StructureMapping rpSM = mathMapping.getSimulationContext().getGeometryContext().getStructureMapping(rp_Array[k].getStructure());
                        if (rpSM.getGeometryClass() instanceof SubVolume && !rpSCS.isConstant()) {
                            // 
                            // get ResolvedFlux for this species
                            // 
                            ResolvedFlux rf = null;
                            for (int j = 0; j < resolvedFluxList.size(); j++) {
                                ResolvedFlux rf_tmp = (ResolvedFlux) resolvedFluxList.elementAt(j);
                                if (rf_tmp.getSpeciesContext() == rp_Array[k].getSpeciesContext()) {
                                    rf = rf_tmp;
                                }
                            }
                            if (rf == null) {
                                VCUnitDefinition speciesFluxUnit = rp_Array[k].getSpeciesContext().getUnitDefinition().multiplyBy(unitSystem.getLengthUnit()).divideBy(unitSystem.getTimeUnit());
                                rf = new ResolvedFlux(rp_Array[k].getSpeciesContext(), speciesFluxUnit);
                                resolvedFluxList.addElement(rf);
                            }
                            if (rpSM.getGeometryClass() instanceof SubVolume && surfaceClass.isAdjacentTo((SubVolume) rpSM.getGeometryClass())) {
                                // 
                                // for binding on inside or outside, add to ResolvedFlux.flux
                                // 
                                Expression fluxRateExpression = getCorrectedRateExpression(sr, rp_Array[k], RateType.ResolvedFluxRate).renameBoundSymbols(mathMapping.getNameScope());
                                if (rf.getFluxExpression().isZero()) {
                                    rf.setFluxExpression(fluxRateExpression);
                                } else {
                                    rf.setFluxExpression(Expression.add(rf.getFluxExpression(), fluxRateExpression));
                                }
                                rf.getFluxExpression().bindExpression(mathMapping);
                            } else {
                                String structureName = ((rs.getStructure() != null) ? (rs.getStructure().getName()) : ("<null>"));
                                throw new Exception("In Application '" + mathMapping.getSimulationContext().getName() + "', SpeciesContext '" + rp_Array[k].getSpeciesContext().getName() + "' is not mapped adjacent to structure '" + structureName + "' but reacts there");
                            }
                        }
                    }
                }
            }
        }
    }
    // 
    if (resolvedFluxList.size() > 0) {
        resolvedFluxes = new ResolvedFlux[resolvedFluxList.size()];
        resolvedFluxList.copyInto(resolvedFluxes);
    } else {
        resolvedFluxes = null;
    }
}