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

Example 11 with Product

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

the class ReactionCartoonTool method getLineTypeFromAttachment.

private LineType getLineTypeFromAttachment(SpeciesContext speciesContext, Point worldPoint) throws Exception {
    Shape mouseOverShape = getReactionCartoon().pickWorld(worldPoint);
    if (mouseOverShape instanceof ReactionStepShape) {
        // check if the ReactionStep already has a ReactionParticipant for
        // this SpeciesContext
        ReactionStep reactionStep = (ReactionStep) mouseOverShape.getModelObject();
        ReactionParticipant[] rps = reactionStep.getReactionParticipants();
        if (mouseOverShape instanceof SimpleReactionShape) {
            switch(mouseOverShape.getAttachmentFromAbs(worldPoint)) {
                case Shape.ATTACH_LEFT:
                    {
                        for (int i = 0; i < rps.length; i++) {
                            if (rps[i] instanceof Reactant && rps[i].getSpeciesContext() == speciesContext) {
                                return LineType.NULL;
                            }
                        }
                        return LineType.REACTANT;
                    }
                case Shape.ATTACH_CENTER:
                    {
                        for (int i = 0; i < rps.length; i++) {
                            if (rps[i] instanceof Catalyst && rps[i].getSpeciesContext() == speciesContext) {
                                return LineType.NULL;
                            }
                        }
                        return LineType.CATALYST;
                    }
                case Shape.ATTACH_RIGHT:
                    {
                        for (int i = 0; i < rps.length; i++) {
                            if (rps[i] instanceof Product && rps[i].getSpeciesContext() == speciesContext) {
                                return LineType.NULL;
                            }
                        }
                        return LineType.PRODUCT;
                    }
            }
        } else if (mouseOverShape instanceof FluxReactionShape) {
            switch(mouseOverShape.getAttachmentFromAbs(worldPoint)) {
                case Shape.ATTACH_LEFT:
                    {
                        // return LineType.FLUX;
                        for (int i = 0; i < rps.length; i++) {
                            if (rps[i] instanceof Reactant && rps[i].getSpeciesContext() == speciesContext) {
                                return LineType.NULL;
                            }
                        }
                        return LineType.REACTANT;
                    }
                case Shape.ATTACH_CENTER:
                    {
                        for (int i = 0; i < rps.length; i++) {
                            if (rps[i] instanceof Catalyst && rps[i].getSpeciesContext() == speciesContext) {
                                return LineType.NULL;
                            }
                        }
                        return LineType.CATALYST;
                    }
                case Shape.ATTACH_RIGHT:
                    {
                        for (int i = 0; i < rps.length; i++) {
                            // return LineType.FLUX;
                            if (rps[i] instanceof Product && rps[i].getSpeciesContext() == speciesContext) {
                                return LineType.NULL;
                            }
                        }
                        return LineType.PRODUCT;
                    }
            }
        }
    }
    return LineType.NULL;
}

Example 12 with Product

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

the class BioCartoonTool method pasteReactionSteps0.

/**
 * pasteReactionSteps0 : does the actual pasting. First called with a cloned model, to track issues. If user still wants to proceed, the paste
 * is performed on the original model.
 *
 * Insert the method's description here.
 * Creation date: (5/10/2003 3:55:25 PM)
 * @param pasteToModel cbit.vcell.model.Model
 * @param pasteToStructure cbit.vcell.model.Structure
 * @param bNew boolean
 */
private static final PasteHelper pasteReactionSteps0(HashMap<String, HashMap<ReactionParticipant, Structure>> rxPartMapStructure, Component parent, IssueContext issueContext, ReactionStep[] copyFromRxSteps, Model pasteToModel, Structure pasteToStructure, boolean bNew, /*boolean bUseDBSpecies,*/
UserResolvedRxElements userResolvedRxElements) throws Exception {
    HashMap<BioModelEntityObject, BioModelEntityObject> reactionsAndSpeciesContexts = new HashMap<>();
    if (copyFromRxSteps == null || copyFromRxSteps.length == 0 || pasteToModel == null || pasteToStructure == null) {
        throw new IllegalArgumentException("CartoonTool.pasteReactionSteps Error " + (copyFromRxSteps == null || copyFromRxSteps.length == 0 ? "reactionStepsArr empty " : "") + (pasteToModel == null ? "model is null " : "") + (pasteToStructure == null ? "struct is null " : ""));
    }
    if (!pasteToModel.contains(pasteToStructure)) {
        throw new IllegalArgumentException("CartoonTool.pasteReactionSteps model " + pasteToModel.getName() + " does not contain structure " + pasteToStructure.getName());
    }
    // Check PasteToModel has preferred targets if set
    if (userResolvedRxElements != null) {
        for (int i = 0; i < userResolvedRxElements.toSpeciesArr.length; i++) {
            if (userResolvedRxElements.toSpeciesArr[i] != null) {
                if (!pasteToModel.contains(userResolvedRxElements.toSpeciesArr[i])) {
                    throw new RuntimeException("PasteToModel does not contain preferred Species " + userResolvedRxElements.toSpeciesArr[i]);
                }
            }
            if (userResolvedRxElements.toStructureArr[i] != null) {
                if (!pasteToModel.contains(userResolvedRxElements.toStructureArr[i])) {
                    throw new RuntimeException("PasteToModel does not contain preferred Structure " + userResolvedRxElements.toStructureArr[i]);
                }
            }
        }
    }
    int counter = 0;
    Structure currentStruct = pasteToStructure;
    String copiedStructName = copyFromRxSteps[counter].getStructure().getName();
    StructureTopology structTopology = (copyFromRxSteps[counter].getModel() == null ? pasteToModel.getStructureTopology() : copyFromRxSteps[counter].getModel().getStructureTopology());
    IdentityHashMap<Species, Species> speciesHash = new IdentityHashMap<Species, Species>();
    IdentityHashMap<SpeciesContext, SpeciesContext> speciesContextHash = new IdentityHashMap<SpeciesContext, SpeciesContext>();
    Vector<Issue> issueVector = new Vector<Issue>();
    do {
        // create a new reaction, instead of cloning the old one; set struc
        ReactionStep copyFromReactionStep = copyFromRxSteps[counter];
        String newName = copyFromReactionStep.getName();
        while (pasteToModel.getReactionStep(newName) != null) {
            newName = org.vcell.util.TokenMangler.getNextEnumeratedToken(newName);
        }
        ReactionStep newReactionStep = null;
        if (copyFromReactionStep instanceof SimpleReaction) {
            newReactionStep = new SimpleReaction(pasteToModel, currentStruct, newName, copyFromReactionStep.isReversible());
        } else if (copyFromReactionStep instanceof FluxReaction && currentStruct instanceof Membrane) {
            newReactionStep = new FluxReaction(pasteToModel, (Membrane) currentStruct, null, newName, copyFromReactionStep.isReversible());
        }
        pasteToModel.addReactionStep(newReactionStep);
        reactionsAndSpeciesContexts.put(newReactionStep, copyFromReactionStep);
        Structure toRxnStruct = newReactionStep.getStructure();
        Structure fromRxnStruct = copyFromReactionStep.getStructure();
        if (!fromRxnStruct.getClass().equals(pasteToStructure.getClass())) {
            throw new Exception("Cannot copy reaction from " + fromRxnStruct.getTypeName() + " to " + pasteToStructure.getTypeName() + ".");
        }
        // add appropriate reactionParticipants to newReactionStep.
        StructureTopology toStructureTopology = pasteToModel.getStructureTopology();
        ReactionParticipant[] copyFromRxParticipantArr = copyFromReactionStep.getReactionParticipants();
        if (rxPartMapStructure == null) {
            // null during 'issues' trial
            rxPartMapStructure = new HashMap<String, HashMap<ReactionParticipant, Structure>>();
        }
        if (rxPartMapStructure.get(copyFromReactionStep.getName()) == null) {
            // Ask user to assign species to compartments for each reaction to be pasted
            rxPartMapStructure.put(copyFromReactionStep.getName(), askUserResolveMembraneConnections(parent, pasteToModel.getStructures(), currentStruct, fromRxnStruct, toRxnStruct, copyFromRxParticipantArr, toStructureTopology, structTopology));
        }
        for (int i = 0; i < copyFromRxParticipantArr.length; i += 1) {
            Structure pasteToStruct = currentStruct;
            // if(toRxnStruct instanceof Membrane){
            pasteToStruct = rxPartMapStructure.get(copyFromReactionStep.getName()).get(copyFromRxParticipantArr[i]);
            // if(pasteToStruct == null){
            // for(ReactionParticipant myRXPart:rxPartMapStructure.get(copyFromReactionStep.getName()).keySet()){
            // if(myRXPart.getSpeciesContext().getName().equals(copyFromRxParticipantArr[i].getSpeciesContext().getName())){
            // pasteToStruct = rxPartMapStructure.get(copyFromReactionStep.getName()).get(myRXPart);
            // break;
            // }
            // }
            // }
            // }
            // this adds the speciesContexts and species (if any) to the model)
            String rootSC = ReactionCartoonTool.speciesContextRootFinder(copyFromRxParticipantArr[i].getSpeciesContext());
            SpeciesContext newSc = null;
            SpeciesContext[] matchSC = pasteToModel.getSpeciesContexts();
            for (int j = 0; matchSC != null && j < matchSC.length; j++) {
                String matchRoot = ReactionCartoonTool.speciesContextRootFinder(matchSC[j]);
                if (matchRoot != null && matchRoot.equals(rootSC) && matchSC[j].getStructure().getName().equals(pasteToStruct.getName())) {
                    newSc = matchSC[j];
                    reactionsAndSpeciesContexts.put(newSc, matchSC[j]);
                    break;
                }
            }
            if (newSc == null) {
                newSc = pasteSpecies(parent, copyFromRxParticipantArr[i].getSpecies(), rootSC, pasteToModel, pasteToStruct, bNew, /*bUseDBSpecies,*/
                speciesHash, UserResolvedRxElements.getPreferredReactionElement(userResolvedRxElements, copyFromRxParticipantArr[i]));
                reactionsAndSpeciesContexts.put(newSc, copyFromRxParticipantArr[i].getSpeciesContext());
            }
            // record the old-new speciesContexts (reactionparticipants) in the IdHashMap, this is useful, esp for 'Paste new', while replacing proxyparams.
            SpeciesContext oldSc = copyFromRxParticipantArr[i].getSpeciesContext();
            if (speciesContextHash.get(oldSc) == null) {
                speciesContextHash.put(oldSc, newSc);
            }
            if (copyFromRxParticipantArr[i] instanceof Reactant) {
                newReactionStep.addReactionParticipant(new Reactant(null, newReactionStep, newSc, copyFromRxParticipantArr[i].getStoichiometry()));
            } else if (copyFromRxParticipantArr[i] instanceof Product) {
                newReactionStep.addReactionParticipant(new Product(null, newReactionStep, newSc, copyFromRxParticipantArr[i].getStoichiometry()));
            } else if (copyFromRxParticipantArr[i] instanceof Catalyst) {
                newReactionStep.addCatalyst(newSc);
            }
        }
        // // If 'newReactionStep' is a fluxRxn, set its fluxCarrier
        // if (newReactionStep instanceof FluxReaction) {
        // if (fluxCarrierSp != null) {
        // ((FluxReaction)newReactionStep).setFluxCarrier(fluxCarrierSp, pasteToModel);
        // } else {
        // throw new RuntimeException("Could not set FluxCarrier species for the flux reaction to be pasted");
        // }
        // }
        // For each kinetic parameter expression for new kinetics, replace the proxyParams from old kinetics with proxyParams in new kinetics
        // i.e., if the proxyParams are speciesContexts, replace with corresponding speciesContext in newReactionStep;
        // if the proxyParams are structureSizes or MembraneVoltages, replace with corresponding structure quantity in newReactionStep
        Kinetics oldKinetics = copyFromReactionStep.getKinetics();
        KineticsParameter[] oldKps = oldKinetics.getKineticsParameters();
        KineticsProxyParameter[] oldKprps = oldKinetics.getProxyParameters();
        Hashtable<String, Expression> paramExprHash = new Hashtable<String, Expression>();
        for (int i = 0; oldKps != null && i < oldKps.length; i++) {
            Expression newExpression = new Expression(oldKps[i].getExpression());
            for (int j = 0; oldKprps != null && j < oldKprps.length; j++) {
                // check if kinetic proxy parameter is in kinetic parameter expression
                if (newExpression.hasSymbol(oldKprps[j].getName())) {
                    SymbolTableEntry ste = oldKprps[j].getTarget();
                    Model pasteFromModel = copyFromReactionStep.getModel();
                    if (ste instanceof SpeciesContext) {
                        // if newRxnStruct is a feature/membrane, get matching spContexts from old reaction and replace them in new rate expr.
                        SpeciesContext oldSC = (SpeciesContext) ste;
                        SpeciesContext newSC = speciesContextHash.get(oldSC);
                        if (newSC == null) {
                            // check if oldSc is present in paste-model; if not, add it.
                            if (!pasteToModel.equals(pasteFromModel)) {
                                if (pasteToModel.getSpeciesContext(oldSC.getName()) == null) {
                                    // if paste-model has oldSc struct, paste it there,
                                    Structure newSCStruct = pasteToModel.getStructure(oldSC.getStructure().getName());
                                    if (newSCStruct != null) {
                                        newSC = pasteSpecies(parent, oldSC.getSpecies(), null, pasteToModel, newSCStruct, bNew, /*bUseDBSpecies,*/
                                        speciesHash, UserResolvedRxElements.getPreferredReactionElement(userResolvedRxElements, oldSC));
                                        speciesContextHash.put(oldSC, newSC);
                                    } else {
                                        // oldStruct wasn't found in paste-model, paste it in newRxnStruct and add warning to issues list
                                        newSC = pasteSpecies(parent, oldSC.getSpecies(), null, pasteToModel, toRxnStruct, bNew, /*bUseDBSpecies,*/
                                        speciesHash, UserResolvedRxElements.getPreferredReactionElement(userResolvedRxElements, oldSC));
                                        speciesContextHash.put(oldSC, newSC);
                                        Issue issue = new Issue(oldSC, issueContext, IssueCategory.CopyPaste, "SpeciesContext '" + oldSC.getSpecies().getCommonName() + "' was not found in compartment '" + oldSC.getStructure().getName() + "' in the model; the species was added to the compartment '" + toRxnStruct.getName() + "' where the reaction was pasted.", Issue.SEVERITY_WARNING);
                                        issueVector.add(issue);
                                    }
                                }
                            }
                        // if models are the same and newSc is null, then oldSc is not a rxnParticipant. Leave it as is in the expr.
                        }
                        if (newSC != null) {
                            reactionsAndSpeciesContexts.put(newSC, oldSC);
                            newExpression.substituteInPlace(new Expression(ste.getName()), new Expression(newSC.getName()));
                        }
                    // SpeciesContext sc = null;
                    // Species newSp = model.getSpecies(oldSc.getSpecies().getCommonName());
                    // if  (oldSc.getStructure() == (oldRxnStruct)) {
                    // sc = model.getSpeciesContext(newSp, newRxnStruct);
                    // } else {
                    // if (newRxnStruct instanceof Membrane) {
                    // // for a membrane, we need to make sure that inside-outside spContexts used are appropriately replaced.
                    // if (oldSc.getStructure() == ((Membrane)oldRxnStruct).getOutsideFeature()) {
                    // // old speciesContext is outside (old) membrane, new spContext should be outside new membrane
                    // sc = model.getSpeciesContext(newSp, ((Membrane)newRxnStruct).getOutsideFeature());
                    // } else if (oldSc.getStructure() == ((Membrane)oldRxnStruct).getInsideFeature()) {
                    // // old speciesContext is inside (old) membrane, new spContext should be inside new membrane
                    // sc = model.getSpeciesContext(newSp, ((Membrane)newRxnStruct).getInsideFeature());
                    // }
                    // }
                    // }
                    // if (sc != null) {
                    // newExpression.substituteInPlace(new Expression(ste.getName()), new Expression(sc.getName()));
                    // }
                    } else if (ste instanceof StructureSize) {
                        Structure str = ((StructureSize) ste).getStructure();
                        // if the structure size used is same as the structure in which the reaction is present, change the structSize to appropriate new struct
                        if (str.compareEqual(fromRxnStruct)) {
                            newExpression.substituteInPlace(new Expression(ste.getName()), new Expression(toRxnStruct.getStructureSize().getName()));
                        } else {
                            if (fromRxnStruct instanceof Membrane) {
                                if (str.equals(structTopology.getOutsideFeature((Membrane) fromRxnStruct))) {
                                    newExpression.substituteInPlace(new Expression(ste.getName()), new Expression(structTopology.getOutsideFeature((Membrane) toRxnStruct).getStructureSize().getName()));
                                } else if (str.equals(structTopology.getInsideFeature((Membrane) fromRxnStruct))) {
                                    newExpression.substituteInPlace(new Expression(ste.getName()), new Expression(structTopology.getInsideFeature((Membrane) toRxnStruct).getStructureSize().getName()));
                                }
                            }
                        }
                    } else if (ste instanceof MembraneVoltage) {
                        Membrane membr = ((MembraneVoltage) ste).getMembrane();
                        // if the MembraneVoltage used is same as that of the membrane in which the reaction is present, change the MemVoltage
                        if ((fromRxnStruct instanceof Membrane) && (membr.compareEqual(fromRxnStruct))) {
                            newExpression.substituteInPlace(new Expression(ste.getName()), new Expression(((Membrane) toRxnStruct).getMembraneVoltage().getName()));
                        }
                    } else if (ste instanceof ModelParameter) {
                        // see if model has this global parameter (if rxn is being pasted into another model, it won't)
                        if (!pasteToModel.equals(pasteFromModel)) {
                            ModelParameter oldMp = (ModelParameter) ste;
                            ModelParameter mp = pasteToModel.getModelParameter(oldMp.getName());
                            boolean bNonNumeric = false;
                            String newMpName = oldMp.getName();
                            if (mp != null) {
                                // new model has a model parameter with same name - are they the same param?
                                if (!mp.getExpression().equals(oldMp.getExpression())) {
                                    // no, they are not the same param, so mangle the 'ste' name and add as global in the other model
                                    while (pasteToModel.getModelParameter(newMpName) != null) {
                                        newMpName = TokenMangler.getNextEnumeratedToken(newMpName);
                                    }
                                    // if expression if numeric, add it as such. If not, set it to 0.0 and add it as global
                                    Expression exp = oldMp.getExpression();
                                    if (!exp.flatten().isNumeric()) {
                                        exp = new Expression(0.0);
                                        bNonNumeric = true;
                                    }
                                    ModelParameter newMp = pasteToModel.new ModelParameter(newMpName, exp, Model.ROLE_UserDefined, oldMp.getUnitDefinition());
                                    String annotation = "Copied from model : " + pasteFromModel.getNameScope();
                                    newMp.setModelParameterAnnotation(annotation);
                                    pasteToModel.addModelParameter(newMp);
                                    // if global param name had to be changed, make sure newExpr is updated as well.
                                    if (!newMpName.equals(oldMp.getName())) {
                                        newExpression.substituteInPlace(new Expression(oldMp.getName()), new Expression(newMpName));
                                    }
                                }
                            } else {
                                // no global param with same name was found in other model, so add it to other model.
                                // if expression if numeric, add it as such. If not, set it to 0.0 and add it as global
                                Expression exp = oldMp.getExpression();
                                if (!exp.flatten().isNumeric()) {
                                    exp = new Expression(0.0);
                                    bNonNumeric = true;
                                }
                                ModelParameter newMp = pasteToModel.new ModelParameter(newMpName, exp, Model.ROLE_UserDefined, oldMp.getUnitDefinition());
                                String annotation = "Copied from model : " + pasteFromModel.getNameScope();
                                newMp.setModelParameterAnnotation(annotation);
                                pasteToModel.addModelParameter(newMp);
                            }
                            // if a non-numeric parameter was encountered in the old model, it was added as a numeric (0.0), warn user of change.
                            if (bNonNumeric) {
                                Issue issue = new Issue(oldMp, issueContext, IssueCategory.CopyPaste, "Global parameter '" + oldMp.getName() + "' was non-numeric; it has been added " + "as global parameter '" + newMpName + "' in the new model with value = 0.0. " + "Please update its value, if required, before using it.", Issue.SEVERITY_WARNING);
                                issueVector.add(issue);
                            }
                        }
                    }
                }
            // end - if newExpr.hasSymbol(ProxyParam)
            }
            // now if store <param names, new expression> in hashTable
            if (paramExprHash.get(oldKps[i].getName()) == null) {
                paramExprHash.put(oldKps[i].getName(), newExpression);
            }
        }
        // end for - oldKps (old kinetic parameters)
        // use this new expression to generate 'vcml' for the (new) kinetics (easier way to transfer all kinetic parameters)
        String newKineticsStr = oldKinetics.writeTokensWithReplacingProxyParams(paramExprHash);
        // convert the kinetics 'vcml' to tokens.
        CommentStringTokenizer kineticsTokens = new CommentStringTokenizer(newKineticsStr);
        // skip the first token;
        kineticsTokens.nextToken();
        // second token is the kinetic type; use this to create a dummy kinetics
        String kineticType = kineticsTokens.nextToken();
        Kinetics newkinetics = KineticsDescription.fromVCMLKineticsName(kineticType).createKinetics(newReactionStep);
        // use the remaining tokens to construct the new kinetics
        newkinetics.fromTokens(newKineticsStr);
        // bind newkinetics to newReactionStep and add it to newReactionStep
        newkinetics.bind(newReactionStep);
        newReactionStep.setKinetics(newkinetics);
        counter += 1;
        if (counter == copyFromRxSteps.length) {
            break;
        }
        if (!copiedStructName.equals(fromRxnStruct.getName())) {
            if (currentStruct instanceof Feature) {
                currentStruct = structTopology.getMembrane((Feature) currentStruct);
            } else if (currentStruct instanceof Membrane) {
                currentStruct = structTopology.getInsideFeature((Membrane) currentStruct);
            }
        }
        copiedStructName = fromRxnStruct.getName();
    } while (true);
    return new PasteHelper(issueVector, rxPartMapStructure, reactionsAndSpeciesContexts);
}

Example 13 with Product

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

the class DBReactionWizardPanel method parameterNameSelectionChanged.

/**
 * Comment
 */
private void parameterNameSelectionChanged() {
    try {
        javax.swing.DefaultListModel dlm = (javax.swing.DefaultListModel) getParameterValuesJList().getModel();
        dlm.removeAllElements();
        // 
        if (getParameterNamesJList().getSelectedValue() != null) {
            // final cbit.vcell.clientdb.DocumentManager docManager = getDocumentManager();
            // final javax.swing.JList jlist = getReactionsJList();
            final MapStringToObject parameNameMSO = (MapStringToObject) getParameterNamesJList().getSelectedValue();
            final KeyValue reactionStepKey = ((ReactionStepInfo) parameNameMSO.getToObject()).getReactionKey();
            // 
            final String RXSTEP_HASH_VALUE_KEY = "rxStep";
            AsynchClientTask searchReactions = new AsynchClientTask("Getting Full Reaction", AsynchClientTask.TASKTYPE_NONSWING_BLOCKING) {

                public void run(Hashtable<String, Object> hash) throws Exception {
                    Model reactionModel = getDocumentManager().getReactionStepAsModel(reactionStepKey);
                    ReactionStep rStep = reactionModel.getReactionStep(((ReactionStepInfo) parameNameMSO.getToObject()).getReactionName());
                    if (rStep != null) {
                        rStep.rebindAllToModel(reactionModel);
                        hash.put(RXSTEP_HASH_VALUE_KEY, rStep);
                    }
                }
            };
            // 
            AsynchClientTask updateRXParams = new AsynchClientTask("updateRXParams", AsynchClientTask.TASKTYPE_SWING_BLOCKING) {

                public void run(Hashtable<String, Object> hash) throws DataAccessException {
                    ReactionStep rStep = (ReactionStep) hash.get(RXSTEP_HASH_VALUE_KEY);
                    if (rStep != null) {
                        Kinetics.KineticsParameter[] kpArr = rStep.getKinetics().getKineticsParameters();
                        ReactionParticipant[] rpArr = rStep.getReactionParticipants();
                        // 
                        javax.swing.DefaultListModel pvdlm = (javax.swing.DefaultListModel) getParameterValuesJList().getModel();
                        pvdlm.removeAllElements();
                        for (int i = 0; i < kpArr.length; i += 1) {
                            pvdlm.addElement("Parameter - " + kpArr[i].getName().toString() + " = " + kpArr[i].getExpression().infix());
                        }
                        pvdlm.addElement("PhysicsOption=" + rStep.getPhysicsOptions());
                        for (int i = 0; i < rpArr.length; i += 1) {
                            String role = "Unknown";
                            if (rpArr[i] instanceof Reactant) {
                                role = "Reactant";
                            } else if (rpArr[i] instanceof Product) {
                                role = "Product";
                            } else if (rpArr[i] instanceof Catalyst) {
                                role = "Catalyst";
                            }
                            String fluxFlag = "";
                            // if(rStep instanceof FluxReaction){
                            // Membrane rStepStruct = (Membrane)rStep.getStructure();
                            // if(rpArr[i] instanceof Flux){
                            // if(rpArr[i].getStructure().equals(getModel().getStructureTopology().getOutsideFeature(rStepStruct))){
                            // fluxFlag = "Outside";
                            // }else{
                            // fluxFlag = "Inside";
                            // }
                            // }
                            // }
                            pvdlm.addElement("RXParticipant(" + role + ") " + fluxFlag + " " + (rpArr[i].getSpecies().getDBSpecies() != null ? "*" : "-") + " " + rpArr[i].getSpeciesContext().getName());
                        }
                    }
                    setReactionStep(rStep);
                    configureBFN();
                }
            };
            // 
            Hashtable<String, Object> hashTemp = new Hashtable<String, Object>();
            ClientTaskDispatcher.dispatch(this, hashTemp, new AsynchClientTask[] { searchReactions, updateRXParams }, true);
        } else {
            setReactionStep(null);
        }
    } catch (Exception e) {
        PopupGenerator.showErrorDialog(this, e.getMessage(), e);
    }
    // 
    configureBFN();
}

Example 14 with Product

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

the class SimulationContext method checkValidity.

public void checkValidity() throws MappingException {
    // spatial
    if (getGeometry().getDimension() > 0) {
    // 
    // fail if any enabled Reactions have LumpedKinetics.
    // 
    // StringBuffer buffer = new StringBuffer();
    // ReactionSpec[] reactionSpecs = getReactionContext().getReactionSpecs();
    // for (int i = 0; i < reactionSpecs.length; i++) {
    // if (!reactionSpecs[i].isExcluded() && reactionSpecs[i].getReactionStep().getKinetics() instanceof LumpedKinetics){
    // buffer.append("reaction \""+reactionSpecs[i].getReactionStep().getName()+"\" in compartment \""+reactionSpecs[i].getReactionStep().getStructure().getName()+"\"\n");
    // }
    // }
    // if (buffer.length()>0){
    // throw new MappingException("Spatial application \""+getName()+"\" cannot process reactions with spatially lumped kinetics, see kinetics for :\n"+buffer.toString());
    // 
    // }
    } else {
        // old-style ODE models should still work
        if (applicationType == Application.NETWORK_DETERMINISTIC && getGeometryContext().isAllVolFracAndSurfVolSpecified() && getGeometryContext().isAllSizeSpecifiedNull()) {
            // old style ODE models
            return;
        }
        // otherwise, all sizes should be present and positive.
        if (!getGeometryContext().isAllSizeSpecifiedPositive()) {
            throw new MappingException("Application " + getName() + ":\nAll structure sizes must be assigned positive values.\nPlease go to StructureMapping tab to check the sizes.");
        }
        // if rate rules are present, if any species has a rate rules, it should not be a reaction participant in any reaction.
        RateRule[] rateRules = getRateRules();
        if (rateRules != null && rateRules.length > 0) {
            if (getModel() != null) {
                ReactionStep[] reactionSteps = getModel().getReactionSteps();
                ReactionParticipant[] reactionParticipants = null;
                for (ReactionStep rs : reactionSteps) {
                    reactionParticipants = rs.getReactionParticipants();
                    for (ReactionParticipant rp : reactionParticipants) {
                        if (rp instanceof Reactant || rp instanceof Product) {
                            if (getRateRule(rp.getSpeciesContext()) != null) {
                                throw new RuntimeException("Species '" + rp.getSpeciesContext().getName() + "' is a reactant/product in reaction '" + rs.getName() + "' ; cannot also have a rate rule.");
                            }
                        }
                    }
                }
            }
        }
    }
}

Example 15 with Product

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

the class SpeciesContextSpec method gatherIssues.

/**
 * Insert the method's description here.
 * Creation date: (11/1/2005 10:03:46 AM)
 * @param issueVector java.util.Vector
 */
public void gatherIssues(IssueContext issueContext, List<Issue> issueVector) {
    issueContext = issueContext.newChildContext(ContextType.SpeciesContextSpec, this);
    // 
    for (int i = 0; i < fieldParameters.length; i++) {
        RealInterval simpleBounds = parameterBounds[fieldParameters[i].getRole()];
        if (simpleBounds != null) {
            String parmName = fieldParameters[i].getNameScope().getName() + "." + fieldParameters[i].getName();
            issueVector.add(new SimpleBoundsIssue(fieldParameters[i], issueContext, simpleBounds, "parameter " + parmName + ": must be within " + simpleBounds.toString()));
        }
    }
    if (bForceContinuous && !bConstant && getSimulationContext().isStoch() && (getSimulationContext().getGeometry().getDimension() > 0)) {
        // if it's particle or constant we're good
        SpeciesContext sc = getSpeciesContext();
        ReactionContext rc = getSimulationContext().getReactionContext();
        ReactionSpec[] rsArray = rc.getReactionSpecs();
        for (ReactionSpec rs : rsArray) {
            if (!rs.isExcluded()) {
                // we only care about reactions which are not excluded
                // true if "this" is part of current reaction
                boolean iAmParticipant = false;
                // true if current reaction has at least a particle participant
                boolean haveParticle = false;
                ReactionStep step = rs.getReactionStep();
                for (ReactionParticipant p : step.getReactionParticipants()) {
                    if (p instanceof Product || p instanceof Reactant) {
                        SpeciesContextSpec candidate = rc.getSpeciesContextSpec(p.getSpeciesContext());
                        if (candidate == this) {
                            iAmParticipant = true;
                        } else if (!candidate.isForceContinuous() && !candidate.isConstant()) {
                            haveParticle = true;
                        }
                    }
                }
                if (iAmParticipant && haveParticle) {
                    String msg = "Continuous Species won't conserve mass in particle reaction " + rs.getReactionStep().getName() + ".";
                    String tip = "Mass conservation for reactions of binding between discrete and continuous species is handled approximately. <br>" + "To avoid any algorithmic approximation, which may produce undesired results, the user is advised to indicate <br>" + "the continuous species in those reactions as modifiers (i.e. 'catalysts') in the physiology.";
                    issueVector.add(new Issue(this, issueContext, IssueCategory.Identifiers, msg, tip, Issue.SEVERITY_WARNING));
                    // we issue warning as soon as we found the first reaction which satisfies criteria
                    break;
                }
            }
        }
    }
    if (!bForceContinuous && bConstant) {
        if (getSimulationContext().isStoch() && (getSimulationContext().getGeometry().getDimension() > 0)) {
            String msg = "Clamped Species must be continuous rather than particles.";
            String tip = "If choose 'clamped', must also choose 'forceContinuous'";
            issueVector.add(new Issue(this, issueContext, IssueCategory.Identifiers, msg, tip, Issue.SEVERITY_ERROR));
        }
    }
    if (bForceContinuous && !bConstant) {
        if (getSimulationContext().isStoch() && (getSimulationContext().getGeometry().getDimension() == 0)) {
            String msg = "Non-constant species is forced continuous, not supported for nonspatial stochastic applications.";
            issueVector.add(new Issue(this, issueContext, IssueCategory.Identifiers, msg, Issue.SEVERITY_ERROR));
        }
    }
}