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

Example 51 with Membrane

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

the class ReactionCartoonTool method lineAction.

private void lineAction(SpeciesContext speciesContextStart, ReactionStep reactionEnd) throws Exception {
    Structure endStructure = reactionEnd.getStructure();
    Structure startStructure = speciesContextStart.getStructure();
    if (StructureUtil.reactionHereCanHaveParticipantThere(endStructure, startStructure)) {
        int stoichiometry = 1;
        Reactant reactant = null;
        for (ReactionParticipant participant : reactionEnd.getReactionParticipants()) {
            if (participant instanceof Reactant && participant.getSpeciesContext().equals(speciesContextStart)) {
                reactant = (Reactant) participant;
            }
        }
        if (reactant != null) {
            // only increase stoichiometry if reaction is SimpleReaction
            if (reactionEnd instanceof SimpleReaction) {
                reactant.setStoichiometry(reactant.getStoichiometry() + 1);
            }
            Shape shape = getReactionCartoon().getShapeFromModelObject(reactant);
            if (shape != null) {
                shape.refreshLabel();
            }
        } else {
            // add speciesContextEnd as pdt to reactionStart only if reactionStart is a SimpleRxn or if it is a FluxRxn and doesn't have a pdt.
            if (reactionEnd instanceof SimpleReaction || ((reactionEnd instanceof FluxReaction) && !(reactionEnd.hasReactant()))) {
                reactionEnd.addReactant(speciesContextStart, stoichiometry);
            }
        }
        if (((startStructure instanceof Feature && endStructure instanceof Feature) || (startStructure instanceof Membrane && endStructure instanceof Membrane)) && startStructure != endStructure) {
        // ============ change kinetics to lumped or warn user ?????????
        // simpleReactionEnd.setKinetics(new GeneralLumpedKinetics(simpleReactionEnd));
        }
        getReactionCartoon().notifyChangeEvent();
    }
}

Example 52 with Membrane

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

the class ReactionCartoonTool method lineAction.

private void lineAction(Structure startStructure, Structure endStructure, Shape endShape) throws Exception, PropertyVetoException, ExpressionException {
    Point startPos = edgeShape.getStart();
    Point endPos = edgeShape.getEnd();
    if (endStructure.equals(startStructure)) {
        SpeciesContext speciesContext1 = getReactionCartoon().getModel().createSpeciesContext(endStructure);
        SpeciesContext speciesContext2 = getReactionCartoon().getModel().createSpeciesContext(endStructure);
        SimpleReaction reaction = getReactionCartoon().getModel().createSimpleReaction(endStructure);
        reaction.addReactant(speciesContext1, 1);
        reaction.addProduct(speciesContext2, 1);
        getReactionCartoon().notifyChangeEvent();
        positionShapeForObject(endStructure, speciesContext1, startPos);
        positionShapeForObject(endStructure, speciesContext2, endPos);
        positionShapeForObject(endStructure, reaction, new Point((startPos.x + endPos.x) / 2, (startPos.y + endPos.y) / 2));
        getGraphModel().clearSelection();
        getGraphModel().select(reaction);
    } else {
        if (endStructure instanceof Membrane && startStructure instanceof Feature) {
            Membrane endMembrane = (Membrane) endStructure;
            Feature startFeature = (Feature) startStructure;
            // if(structTopology.getOutsideFeature(endMembrane).equals(startFeature) || structTopology.getInsideFeature(endMembrane).equals(startFeature))
            // {
            SpeciesContext speciesContext1 = getReactionCartoon().getModel().createSpeciesContext(startFeature);
            SpeciesContext speciesContext2 = getReactionCartoon().getModel().createSpeciesContext(endMembrane);
            SimpleReaction reaction = getReactionCartoon().getModel().createSimpleReaction(endMembrane);
            reaction.addReactant(speciesContext1, 1);
            reaction.addProduct(speciesContext2, 1);
            getReactionCartoon().notifyChangeEvent();
            positionShapeForObject(startFeature, speciesContext1, startPos);
            positionShapeForObject(endMembrane, speciesContext2, endPos);
            // finding correct insertion point for reaction, statements below should be put into a utility if used often
            int memAbsXmin = endShape.getSpaceManager().getAbsLoc().x;
            int memAbsXmax = memAbsXmin + endShape.getSpaceManager().getSize().width;
            int reactionWidth = new SimpleReactionShape(reaction, getReactionCartoon()).getSpaceManager().getSize().width;
            int reactionAbsX = (startPos.x + endPos.x) / 2;
            if ((memAbsXmax - memAbsXmin) <= reactionWidth) {
                reactionAbsX = memAbsXmin;
            } else {
                reactionAbsX = Math.max(reactionAbsX, memAbsXmin);
                reactionAbsX = Math.min(reactionAbsX, (memAbsXmax - reactionWidth));
            }
            positionShapeForObject(endMembrane, reaction, new Point(reactionAbsX, (startPos.y + endPos.y) / 2));
            getGraphModel().clearSelection();
            getGraphModel().select(reaction);
        // }
        } else if (endStructure instanceof Feature && startStructure instanceof Membrane) {
            Membrane startMembrane = (Membrane) startStructure;
            Feature endFeature = (Feature) endStructure;
            // if(structTopology.getOutsideFeature(startMembrane).equals(endFeature) || structTopology.getInsideFeature(startMembrane).equals(endFeature))
            // {
            SpeciesContext speciesContext1 = getReactionCartoon().getModel().createSpeciesContext(startMembrane);
            SpeciesContext speciesContext2 = getReactionCartoon().getModel().createSpeciesContext(endFeature);
            SimpleReaction reaction = getReactionCartoon().getModel().createSimpleReaction(startMembrane);
            reaction.addReactant(speciesContext1, 1);
            reaction.addProduct(speciesContext2, 1);
            getReactionCartoon().notifyChangeEvent();
            positionShapeForObject(startMembrane, speciesContext1, startPos);
            positionShapeForObject(endFeature, speciesContext2, endPos);
            // finding correct insertion point for reaction, statements below should be put into a utility if used often
            int memAbsXmin = startShape.getSpaceManager().getAbsLoc().x;
            int memAbsXmax = memAbsXmin + startShape.getSpaceManager().getSize().width;
            int reactionWidth = new SimpleReactionShape(reaction, getReactionCartoon()).getSpaceManager().getSize().width;
            int reactionAbsX = (startPos.x + endPos.x) / 2;
            if ((memAbsXmax - memAbsXmin) <= reactionWidth) {
                reactionAbsX = memAbsXmin;
            } else {
                reactionAbsX = Math.max(reactionAbsX, memAbsXmin);
                reactionAbsX = Math.min(reactionAbsX, (memAbsXmax - reactionWidth));
            }
            positionShapeForObject(startMembrane, reaction, new Point(reactionAbsX, (startPos.y + endPos.y) / 2));
            getGraphModel().clearSelection();
            getGraphModel().select(reaction);
        // }
        } else if (endStructure instanceof Feature && startStructure instanceof Feature) {
            Feature startFeature = (Feature) startStructure;
            Feature endFeature = (Feature) endStructure;
            SpeciesContext speciesContext1 = getReactionCartoon().getModel().createSpeciesContext(startStructure);
            SpeciesContext speciesContext2 = getReactionCartoon().getModel().createSpeciesContext(endStructure);
            SimpleReaction reaction = getReactionCartoon().getModel().createSimpleReaction(startStructure);
            reaction.addReactant(speciesContext1, 1);
            reaction.addProduct(speciesContext2, 1);
            reaction.setKinetics(new GeneralLumpedKinetics(reaction));
            getReactionCartoon().notifyChangeEvent();
            positionShapeForObject(startStructure, speciesContext1, startPos);
            positionShapeForObject(endStructure, speciesContext2, endPos);
            positionShapeForObject(startStructure, reaction, new Point((startPos.x + endPos.x) / 2, (startPos.y + endPos.y) / 2));
            getGraphModel().clearSelection();
            getGraphModel().select(reaction);
        } else if (endStructure instanceof Membrane && startStructure instanceof Membrane) {
            SpeciesContext speciesContext1 = getReactionCartoon().getModel().createSpeciesContext(startStructure);
            SpeciesContext speciesContext2 = getReactionCartoon().getModel().createSpeciesContext(endStructure);
            SimpleReaction reaction = getReactionCartoon().getModel().createSimpleReaction(startStructure);
            reaction.addReactant(speciesContext1, 1);
            reaction.addProduct(speciesContext2, 1);
            reaction.setKinetics(new GeneralLumpedKinetics(reaction));
            getReactionCartoon().notifyChangeEvent();
            positionShapeForObject(startStructure, speciesContext1, startPos);
            positionShapeForObject(endStructure, speciesContext2, endPos);
            positionShapeForObject(startStructure, reaction, new Point((startPos.x + endPos.x) / 2, (startPos.y + endPos.y) / 2));
            getGraphModel().clearSelection();
            getGraphModel().select(reaction);
        }
    }
}

Example 53 with Membrane

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

the class SpeciesContextSpec method convertConcentrationToParticles.

public Expression convertConcentrationToParticles(Expression iniConcentration) throws ExpressionException, MappingException {
    Expression iniParticlesExpr = null;
    Structure structure = getSpeciesContext().getStructure();
    double structSize = computeStructureSize();
    if (structure instanceof Membrane) {
        // particles = iniConcentration(molecules/um2)*size(um2)
        try {
            iniParticlesExpr = new Expression((Math.round(iniConcentration.evaluateConstant() * structSize)));
        } catch (ExpressionException e) {
            iniParticlesExpr = Expression.mult(iniConcentration, new Expression(structSize)).flatten();
        }
    } else {
        // convert concentration(particles/volume) to number of particles
        // particles = [iniConcentration(uM)*size(um3)]/KMOLE
        // @Note : 'kMole' variable here is used only as a var name, it does not represent the previously known ReservedSymbol KMOLE.
        ModelUnitSystem modelUnitSystem = getSimulationContext().getModel().getUnitSystem();
        VCUnitDefinition volSubstanceToStochastic = modelUnitSystem.getStochasticSubstanceUnit().divideBy(modelUnitSystem.getVolumeSubstanceUnit());
        double volSubstanceToStochasticScale = volSubstanceToStochastic.getDimensionlessScale().doubleValue();
        try {
            iniParticlesExpr = new Expression((Math.round(iniConcentration.evaluateConstant() * structSize * volSubstanceToStochasticScale)));
        } catch (ExpressionException e) {
            Expression numeratorExpr = Expression.mult(iniConcentration, new Expression(structSize));
            Expression exp = new Expression(volSubstanceToStochasticScale);
            iniParticlesExpr = Expression.mult(numeratorExpr, exp).flatten();
        }
    }
    return iniParticlesExpr;
}

Example 54 with Membrane

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

the class CurrentClampElectricalDevice method initializeParameters.

private void initializeParameters() throws ExpressionException {
    ElectricalDevice.ElectricalDeviceParameter[] parameters = new ElectricalDevice.ElectricalDeviceParameter[3];
    // 
    // set the transmembrane current (total current, if necessary derive it from the current density).
    // 
    ElectricalDeviceParameter transMembraneCurrent = null;
    ModelUnitSystem modelUnitSystem = mathMapping.getSimulationContext().getModel().getUnitSystem();
    VCUnitDefinition currentUnit = modelUnitSystem.getCurrentUnit();
    if (currentClampStimulus instanceof TotalCurrentClampStimulus) {
        TotalCurrentClampStimulus stimulus = (TotalCurrentClampStimulus) currentClampStimulus;
        LocalParameter currentParameter = stimulus.getCurrentParameter();
        transMembraneCurrent = new ElectricalDeviceParameter(DefaultNames[ROLE_TransmembraneCurrent], new Expression(currentParameter.getExpression()), ROLE_TransmembraneCurrent, currentUnit);
    } else if (currentClampStimulus instanceof CurrentDensityClampStimulus) {
        CurrentDensityClampStimulus stimulus = (CurrentDensityClampStimulus) currentClampStimulus;
        LocalParameter currentDensityParameter = stimulus.getCurrentDensityParameter();
        // 
        // here we have to determine the expression for current (from current density).
        // 
        Feature feature1 = currentClampStimulus.getElectrode().getFeature();
        Feature feature2 = mathMapping.getSimulationContext().getGroundElectrode().getFeature();
        Membrane membrane = null;
        StructureTopology structTopology = mathMapping.getSimulationContext().getModel().getStructureTopology();
        if (structTopology.getParentStructure(feature1) != null && structTopology.getOutsideFeature((Membrane) structTopology.getParentStructure(feature1)) == feature2) {
            membrane = ((Membrane) structTopology.getParentStructure(feature1));
        } else if (structTopology.getParentStructure(feature2) != null && structTopology.getOutsideFeature((Membrane) structTopology.getParentStructure(feature2)) == feature1) {
            membrane = ((Membrane) structTopology.getParentStructure(feature2));
        }
        if (membrane == null) {
            throw new RuntimeException("current clamp based on current density crosses multiple membranes, unable to " + "determine single membrane to convert current density into current in Application '" + mathMapping.getSimulationContext().getName() + "'.");
        }
        MembraneMapping membraneMapping = (MembraneMapping) mathMapping.getSimulationContext().getGeometryContext().getStructureMapping(membrane);
        StructureMappingParameter sizeParameter = membraneMapping.getSizeParameter();
        Expression area = null;
        if (mathMapping.getSimulationContext().getGeometry().getDimension() == 0 && (sizeParameter.getExpression() == null || sizeParameter.getExpression().isZero())) {
            area = membraneMapping.getNullSizeParameterValue();
        } else {
            area = new Expression(sizeParameter, mathMapping.getNameScope());
        }
        transMembraneCurrent = new ElectricalDeviceParameter(DefaultNames[ROLE_TransmembraneCurrent], Expression.mult(new Expression(currentDensityParameter.getExpression()), area), ROLE_TransmembraneCurrent, currentUnit);
    } else {
        throw new RuntimeException("unexpected current clamp stimulus type : " + currentClampStimulus.getClass().getName());
    }
    ElectricalDeviceParameter totalCurrent = new ElectricalDeviceParameter(DefaultNames[ROLE_TotalCurrent], new Expression(transMembraneCurrent, getNameScope()), ROLE_TotalCurrent, currentUnit);
    ElectricalDeviceParameter voltage = new ElectricalDeviceParameter(DefaultNames[ROLE_Voltage], null, ROLE_Voltage, modelUnitSystem.getVoltageUnit());
    parameters[0] = totalCurrent;
    parameters[1] = transMembraneCurrent;
    parameters[2] = voltage;
    // 
    // add any user-defined parameters
    // 
    LocalParameter[] stimulusParameters = currentClampStimulus.getLocalParameters();
    for (int i = 0; stimulusParameters != null && i < stimulusParameters.length; i++) {
        if (stimulusParameters[i].getRole() == ElectricalStimulus.ElectricalStimulusParameterType.UserDefined) {
            ElectricalDeviceParameter newParam = new ElectricalDeviceParameter(stimulusParameters[i].getName(), new Expression(stimulusParameters[i].getExpression()), ROLE_UserDefined, stimulusParameters[i].getUnitDefinition());
            parameters = (ElectricalDeviceParameter[]) BeanUtils.addElement(parameters, newParam);
        }
    }
    setParameters(parameters);
}

Example 55 with Membrane

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

the class CurrentClampElectricalDevice method initializeParameters.

private void initializeParameters() throws ExpressionException {
    ElectricalDevice.ElectricalDeviceParameter[] parameters = new ElectricalDevice.ElectricalDeviceParameter[3];
    // 
    // set the transmembrane current (total current, if necessary derive it from the current density).
    // 
    ElectricalDeviceParameter transMembraneCurrent = null;
    ModelUnitSystem modelUnitSystem = mathMapping_4_8.getSimulationContext().getModel().getUnitSystem();
    VCUnitDefinition currentUnit = modelUnitSystem.getCurrentUnit();
    if (currentClampStimulus instanceof TotalCurrentClampStimulus) {
        TotalCurrentClampStimulus stimulus = (TotalCurrentClampStimulus) currentClampStimulus;
        LocalParameter currentParameter = stimulus.getCurrentParameter();
        transMembraneCurrent = new ElectricalDeviceParameter(DefaultNames[ROLE_TransmembraneCurrent], new Expression(currentParameter.getExpression()), ROLE_TransmembraneCurrent, currentUnit);
    } else if (currentClampStimulus instanceof CurrentDensityClampStimulus) {
        CurrentDensityClampStimulus stimulus = (CurrentDensityClampStimulus) currentClampStimulus;
        LocalParameter currentDensityParameter = stimulus.getCurrentDensityParameter();
        // 
        // here we have to determine the expression for current (from current density).
        // 
        Feature feature1 = currentClampStimulus.getElectrode().getFeature();
        Feature feature2 = mathMapping_4_8.getSimulationContext().getGroundElectrode().getFeature();
        Membrane membrane = null;
        StructureTopology structTopology = mathMapping_4_8.getSimulationContext().getModel().getStructureTopology();
        if (structTopology.getParentStructure(feature1) != null && structTopology.getOutsideFeature((Membrane) structTopology.getParentStructure(feature1)) == feature2) {
            membrane = ((Membrane) structTopology.getParentStructure(feature1));
        } else if (structTopology.getParentStructure(feature2) != null && structTopology.getOutsideFeature((Membrane) structTopology.getParentStructure(feature2)) == feature1) {
            membrane = ((Membrane) structTopology.getParentStructure(feature2));
        }
        if (membrane == null) {
            throw new RuntimeException("current clamp based on current density crosses multiple membranes, unable to " + "determine single membrane to convert current density into current in Application '" + mathMapping_4_8.getSimulationContext().getName() + "'.");
        }
        MembraneMapping membraneMapping = (MembraneMapping) mathMapping_4_8.getSimulationContext().getGeometryContext().getStructureMapping(membrane);
        StructureMappingParameter sizeParameter = membraneMapping.getSizeParameter();
        Expression area = null;
        if (mathMapping_4_8.getSimulationContext().getGeometry().getDimension() == 0 && (sizeParameter.getExpression() == null || sizeParameter.getExpression().isZero())) {
            area = membraneMapping.getNullSizeParameterValue();
        } else {
            area = new Expression(sizeParameter, mathMapping_4_8.getNameScope());
        }
        transMembraneCurrent = new ElectricalDeviceParameter(DefaultNames[ROLE_TransmembraneCurrent], Expression.mult(new Expression(currentDensityParameter.getExpression()), area), ROLE_TransmembraneCurrent, currentUnit);
    } else {
        throw new RuntimeException("unexpected current clamp stimulus type : " + currentClampStimulus.getClass().getName());
    }
    ElectricalDeviceParameter totalCurrent = new ElectricalDeviceParameter(DefaultNames[ROLE_TotalCurrent], new Expression(transMembraneCurrent, getNameScope()), ROLE_TotalCurrent, currentUnit);
    ElectricalDeviceParameter voltage = new ElectricalDeviceParameter(DefaultNames[ROLE_Voltage], null, ROLE_Voltage, modelUnitSystem.getVoltageUnit());
    parameters[0] = totalCurrent;
    parameters[1] = transMembraneCurrent;
    parameters[2] = voltage;
    // 
    // add any user-defined parameters
    // 
    LocalParameter[] stimulusParameters = currentClampStimulus.getLocalParameters();
    for (int i = 0; stimulusParameters != null && i < stimulusParameters.length; i++) {
        if (stimulusParameters[i].getRole() == ElectricalStimulus.ElectricalStimulusParameterType.UserDefined) {
            ElectricalDeviceParameter newParam = new ElectricalDeviceParameter(stimulusParameters[i].getName(), new Expression(stimulusParameters[i].getExpression()), ROLE_UserDefined, stimulusParameters[i].getUnitDefinition());
            parameters = (ElectricalDeviceParameter[]) BeanUtils.addElement(parameters, newParam);
        }
    }
    setParameters(parameters);
}