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

Example 21 with ReactionParticipant

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

the class ReactionCartoonTool method detailsDeleteSpecies.

private static DeleteSpeciesInfo detailsDeleteSpecies(Component requester, SpeciesContext[] speciesContextArr, ReactionStep[] toBeDeletedReactStepArr, ReactionCartoon rxCartoon) throws Exception, UserCancelException {
    if (speciesContextArr == null || speciesContextArr.length == 0) {
        return null;
    }
    // Warn user that there may be some BioModel components that reference speciesContext to be removed
    // Get ReactionParticipant list
    Collection<Shape> rxPartColl = rxCartoon.getShapes();
    HashMap<SpeciesContext, HashSet<ReactionParticipant>> rxPartHashMap = new HashMap<SpeciesContext, HashSet<ReactionParticipant>>();
    for (Shape objShape : rxPartColl) {
        if (objShape instanceof ReactionParticipantShape) {
            ReactionParticipant objReactionParticipant = ((ReactionParticipantShape) objShape).getReactionParticipant();
            if (Arrays.asList(speciesContextArr).contains(objReactionParticipant.getSpeciesContext())) {
                if (!rxPartHashMap.containsKey(objReactionParticipant.getSpeciesContext())) {
                    rxPartHashMap.put(objReactionParticipant.getSpeciesContext(), new HashSet<ReactionParticipant>());
                }
                if (!rxPartHashMap.get(objReactionParticipant.getSpeciesContext()).contains(objReactionParticipant)) {
                    rxPartHashMap.get(objReactionParticipant.getSpeciesContext()).add(objReactionParticipant);
                }
            }
        }
    }
    int reactionParticipantCount = 0;
    for (HashSet<ReactionParticipant> objReactPart : rxPartHashMap.values()) {
        reactionParticipantCount += objReactPart.size();
    }
    // find bioModel and get SymbolTable references to SpeciesContext
    BioModelEditor bioModelEditor = (BioModelEditor) BeanUtils.findTypeParentOfComponent(requester, BioModelEditor.class);
    if (bioModelEditor == null) {
        throw new Exception("Error deleting Speciescontext, Can't find BiomodelEditor");
    }
    BioModel bioModel = bioModelEditor.getBioModelWindowManager().getVCDocument();
    HashMap<SpeciesContext, HashSet<SymbolTableEntry>> referencingSymbolsHashMap = new HashMap<SpeciesContext, HashSet<SymbolTableEntry>>();
    for (int i = 0; i < speciesContextArr.length; i++) {
        List<SymbolTableEntry> referencingSymbolsList = bioModel.findReferences(speciesContextArr[i]);
        if (referencingSymbolsList != null && referencingSymbolsList.size() > 0) {
            if (!referencingSymbolsHashMap.containsKey(speciesContextArr[i])) {
                referencingSymbolsHashMap.put(speciesContextArr[i], new HashSet<SymbolTableEntry>());
            }
            referencingSymbolsHashMap.get(speciesContextArr[i]).addAll(referencingSymbolsList);
        }
    }
    int referencingSymbolsCount = 0;
    for (HashSet<SymbolTableEntry> objSimTableEntry : referencingSymbolsHashMap.values()) {
        referencingSymbolsCount += objSimTableEntry.size();
    }
    // Warn user about delete
    HashMap<SpeciesContext, Boolean> bUnresolvableHashMap = new HashMap<SpeciesContext, Boolean>();
    for (int i = 0; i < speciesContextArr.length; i++) {
        bUnresolvableHashMap.put(speciesContextArr[i], Boolean.FALSE);
    }
    String[][] rowData = null;
    if (rxPartHashMap.size() == 0 && referencingSymbolsHashMap.size() == 0) {
        rowData = new String[speciesContextArr.length][4];
        for (int i = 0; i < speciesContextArr.length; i++) {
            rowData[i][0] = speciesContextArr[i].getName();
            rowData[i][1] = "";
            rowData[i][2] = "";
            rowData[i][3] = "";
        }
        Arrays.sort(rowData, new Comparator<String[]>() {

            @Override
            public int compare(String[] o1, String[] o2) {
                return o1[0].compareToIgnoreCase(o2[0]);
            }
        });
    } else {
        // find SpeciesContext that had no reference warnings
        Vector<SpeciesContext> speciesContextNoReferences = new Vector<SpeciesContext>();
        for (int i = 0; i < speciesContextArr.length; i++) {
            if (!rxPartHashMap.containsKey(speciesContextArr[i]) && !referencingSymbolsHashMap.containsKey(speciesContextArr[i])) {
                speciesContextNoReferences.add(speciesContextArr[i]);
            }
        }
        rowData = new String[reactionParticipantCount + referencingSymbolsCount + speciesContextNoReferences.size()][4];
        int count = 0;
        for (SpeciesContext objSpeciesContext : speciesContextNoReferences) {
            rowData[count][0] = objSpeciesContext.getName();
            rowData[count][1] = "";
            rowData[count][2] = "";
            rowData[count][3] = "";
            count++;
        }
        for (SpeciesContext objSpeciesContext : rxPartHashMap.keySet()) {
            Iterator<ReactionParticipant> iterRxPart = rxPartHashMap.get(objSpeciesContext).iterator();
            while (iterRxPart.hasNext()) {
                rowData[count][0] = objSpeciesContext.getName();
                rowData[count][1] = "";
                rowData[count][2] = "Reaction Diagram stoichiometry '" + iterRxPart.next().getReactionStep().getName() + "'";
                rowData[count][3] = "";
                count++;
            }
        }
        for (SpeciesContext objSpeciesContext : referencingSymbolsHashMap.keySet()) {
            Iterator<SymbolTableEntry> iterSymbolTableEntry = referencingSymbolsHashMap.get(objSpeciesContext).iterator();
            while (iterSymbolTableEntry.hasNext()) {
                rowData[count][0] = objSpeciesContext.getName();
                rowData[count][1] = "";
                SymbolTableEntry objSymbolTableEntry = iterSymbolTableEntry.next();
                boolean bKineticsParameter = objSymbolTableEntry instanceof KineticsParameter;
                if (bKineticsParameter) {
                    KineticsParameter kp = (KineticsParameter) objSymbolTableEntry;
                    boolean isOK = kp.isRegenerated();
                    for (int i = 0; toBeDeletedReactStepArr != null && i < toBeDeletedReactStepArr.length; i++) {
                        if (toBeDeletedReactStepArr[i] == kp.getKinetics().getReactionStep()) {
                            // OK to delete this Speciescontext if were deleting the reaction that contained the reference
                            isOK = true;
                        }
                    }
                    rowData[count][1] = (isOK ? "" : RXSPECIES_ERROR);
                    bUnresolvableHashMap.put(objSpeciesContext, bUnresolvableHashMap.get(objSpeciesContext) || !isOK);
                }
                boolean bReaction = objSymbolTableEntry.getNameScope() instanceof ReactionNameScope;
                rowData[count][2] = (bReaction ? "Reaction" : objSymbolTableEntry.getNameScope().getClass().getName()) + "( " + objSymbolTableEntry.getNameScope().getName() + " )";
                rowData[count][3] = (bKineticsParameter ? "Parameter" : objSymbolTableEntry.getClass().getName()) + "( " + objSymbolTableEntry.getName() + " )";
                count++;
            }
        }
        // for (SymbolTableEntry referencingSTE : referencingSymbols) {
        // System.out.println("REFERENCE   "+referencingSTE.getClass().getName()+"("+referencingSTE.getName()+") nameScope "+referencingSTE.getNameScope().getClass().getName()+"("+referencingSTE.getNameScope().getName()+")");
        // }
        Arrays.sort(rowData, new Comparator<String[]>() {

            @Override
            public int compare(String[] o1, String[] o2) {
                return o1[0].compareToIgnoreCase(o2[0]);
            }
        });
    }
    if (rowData == null || rowData.length == 0) {
        return null;
    }
    return new DeleteSpeciesInfo(rxPartHashMap, bUnresolvableHashMap, rowData);
}

Example 22 with ReactionParticipant

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

the class BioCartoonTool method askUserResolveMembraneConnections.

private static HashMap<ReactionParticipant, Structure> askUserResolveMembraneConnections(Component requester, Structure[] allStructures, Structure currentStruct, Structure fromRxnStruct, Structure toRxnStruct, ReactionParticipant[] copyFromRxParticipantArr, StructureTopology toStructureTopology, StructureTopology structTopology) {
    HashMap<ReactionParticipant, Structure> userMap = new HashMap<>();
    boolean bMembrane = toRxnStruct instanceof Membrane;
    if (!bMembrane) {
        for (int i = 0; i < copyFromRxParticipantArr.length; i += 1) {
            userMap.put(copyFromRxParticipantArr[i], null);
            for (Structure struct : allStructures) {
                if (fromRxnStruct.getName().equals(copyFromRxParticipantArr[i].getStructure().getName())) {
                    userMap.put(copyFromRxParticipantArr[i], toRxnStruct);
                }
            }
        }
    // return userMap;
    } else {
        for (int i = 0; i < copyFromRxParticipantArr.length; i += 1) {
            Structure pasteToStruct = currentStruct;
            Membrane oldMembr = (Membrane) fromRxnStruct;
            pasteToStruct = matchMembraneAdjacentStructure(allStructures, currentStruct, copyFromRxParticipantArr[i].getStructure(), structTopology, toStructureTopology, oldMembr, pasteToStruct);
            userMap.put(copyFromRxParticipantArr[i], pasteToStruct);
        }
    }
    JScrollPane jScrollPane = null;
    JPanel rxMapperPanel = null;
    Hashtable<JLabel, ReactionParticipant> mapLabelToPart = null;
    boolean bUnselected;
    do {
        bUnselected = false;
        if (jScrollPane == null) {
            rxMapperPanel = new JPanel();
            rxMapperPanel.setLayout(new BoxLayout(rxMapperPanel, BoxLayout.Y_AXIS));
            // ((BoxLayout)rxMapperPanel.getLayout())
            int height = 0;
            final int[] widthlabels = new int[] { 0 };
            int widthcombo = 0;
            mapLabelToPart = new Hashtable<>();
            for (ReactionParticipant rxPart : userMap.keySet()) {
                if (!bMembrane || (rxPart.getStructure() instanceof Feature)) {
                    JPanel row = new JPanel();
                    JLabel rxpartLabel = new JLabel(rxPart.getName());
                    row.add(rxpartLabel);
                    mapLabelToPart.put(rxpartLabel, rxPart);
                    JComboBox<Structure> structJC = new JComboBox<>();
                    structJC.setRenderer(new ListCellRenderer<Structure>() {

                        @Override
                        public Component getListCellRendererComponent(JList<? extends Structure> list, Structure value, int index, boolean isSelected, boolean cellHasFocus) {
                            // TODO Auto-generated method stub
                            JLabel label = new JLabel(value.getName());
                            widthlabels[0] = Math.max(widthlabels[0], label.getPreferredSize().width);
                            return label;
                        }
                    });
                    height += structJC.getPreferredSize().getHeight();
                    widthcombo = Math.max(widthcombo, structJC.getPreferredSize().width);
                    try {
                        Feature dummyFeature = new Feature(DUMMY_CHOOSE);
                        structJC.addItem(dummyFeature);
                    } catch (Exception e) {
                        e.printStackTrace();
                    }
                    for (Structure struct : allStructures) {
                        if (!bMembrane || (struct instanceof Feature)) {
                            structJC.addItem(struct);
                        }
                    }
                    structJC.setSelectedItem((userMap.get(rxPart) == null ? 0 : userMap.get(rxPart)));
                    row.add(structJC);
                    rxMapperPanel.add(row);
                }
            }
            height += 25;
            rxMapperPanel.setSize(widthcombo + widthlabels[0], height);
            rxMapperPanel.setPreferredSize(new Dimension(widthcombo + widthlabels[0], height));
            jScrollPane = new JScrollPane(rxMapperPanel);
            jScrollPane.setPreferredSize(new Dimension(150, 100));
        }
        if (rxMapperPanel.getComponentCount() != 0) {
            int result = DialogUtils.showComponentOKCancelDialog(requester, jScrollPane, "Assign Compartments for RX '" + copyFromRxParticipantArr[0].getReactionStep().getName() + "' Participants");
            if (result != JOptionPane.OK_OPTION) {
                throw UserCancelException.CANCEL_GENERIC;
            }
            for (int i = 0; i < rxMapperPanel.getComponentCount(); i++) {
                JLabel label0 = (JLabel) (((Container) rxMapperPanel.getComponent(i)).getComponent(0));
                JComboBox<Structure> struct0 = (JComboBox<Structure>) (((Container) rxMapperPanel.getComponent(i)).getComponent(1));
                if (((Structure) struct0.getSelectedItem()).getName().equals(DUMMY_CHOOSE)) {
                    bUnselected = true;
                    DialogUtils.showWarningDialog(requester, "Choose a valid compartment for each ReactionParticipant");
                    break;
                }
                userMap.put(mapLabelToPart.get(label0), (Structure) struct0.getSelectedItem());
            }
        }
    } while (bUnselected);
    return userMap;
}

Example 23 with ReactionParticipant

use of cbit.vcell.model.ReactionParticipant 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 24 with ReactionParticipant

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

the class BioCartoonTool method pasteReactionSteps.

/**
 * pasteReactionSteps : this method clones the model argument and calls the private pasteReationSteps0 method with the cloned model to see if
 * there are any issues with the paste operation. If so, the issue list is popped up in a warning dialog, and user is given the option of proceeding
 * with the paste or cancelling the operation.
 *
 * @param reactionStepsArr : reactions to be pasted
 * @param model : model where reactions are to be pasted
 * @param struct : strucure in 'model' where the reactions should be pasted
 * @param bNew : is it 'paste' or 'paste new' reaction (new reaction Participants are created if 'bNew' is <true>).
 * @param guiRequestComponent : the parent component for the warning dialog that pops up the issues, if any, encountered in the pasting process
 * @throws Exception
 */
public static final void pasteReactionSteps(Component requester, ReactionStep[] reactionStepsArrOrig, Model pasteModel, Structure struct, boolean bNew, /*boolean bUseDBSpecies,*/
UserResolvedRxElements userResolvedRxElements, RXPasteInterface rxPasteInterface) {
    PasteHelper[] pasteHelper = new PasteHelper[1];
    AsynchClientTask issueTask = new AsynchClientTask("Checking Issues...", AsynchClientTask.TASKTYPE_NONSWING_BLOCKING) {

        @Override
        public void run(Hashtable<String, Object> hashTable) throws Exception {
            Model clonedModel = (Model) org.vcell.util.BeanUtils.cloneSerializable(pasteModel);
            clonedModel.refreshDependencies();
            IssueContext issueContext = new IssueContext(ContextType.Model, clonedModel, null);
            pasteHelper[0] = pasteReactionSteps0(null, requester, issueContext, reactionStepsArrOrig, clonedModel, clonedModel.getStructure(struct.getName()), bNew, /*bUseDBSpecies,*/
            UserResolvedRxElements.createCompatibleUserResolvedRxElements(userResolvedRxElements, clonedModel));
            if (pasteHelper[0].issues.size() != 0) {
                if (!printIssues(pasteHelper[0].issues, requester)) {
                    throw UserCancelException.CANCEL_GENERIC;
                }
            }
            if (pasteHelper[0].rxPartMapStruct != null) {
                // Convert rxPartMapStruct instances from cloned to pasteModel
                HashMap<String, HashMap<ReactionParticipant, Structure>> new_rxPartMapStruct = new HashMap<>();
                for (int i = 0; reactionStepsArrOrig != null && i < reactionStepsArrOrig.length; i++) {
                    new_rxPartMapStruct.put(reactionStepsArrOrig[i].getName(), new HashMap<ReactionParticipant, Structure>());
                    for (ReactionParticipant rxPart : pasteHelper[0].rxPartMapStruct.get(reactionStepsArrOrig[i].getName()).keySet()) {
                        ReactionParticipant[] origRXParts = reactionStepsArrOrig[i].getReactionParticipants();
                        for (int j = 0; j < origRXParts.length; j++) {
                            if (origRXParts[j].getName().equals(rxPart.getName())) {
                                new_rxPartMapStruct.get(reactionStepsArrOrig[i].getName()).put(origRXParts[j], pasteModel.getStructure(pasteHelper[0].rxPartMapStruct.get(reactionStepsArrOrig[i].getName()).get(rxPart).getName()));
                            }
                        }
                    }
                }
                pasteHelper[0].rxPartMapStruct = new_rxPartMapStruct;
            }
        }
    };
    AsynchClientTask pasteRXTask = new AsynchClientTask("Pasting Reaction...", AsynchClientTask.TASKTYPE_SWING_BLOCKING) {

        @Override
        public void run(Hashtable<String, Object> hashTable) throws Exception {
            IssueContext issueContext = new IssueContext(ContextType.Model, pasteModel, null);
            pasteHelper[0] = pasteReactionSteps0(pasteHelper[0].rxPartMapStruct, requester, issueContext, reactionStepsArrOrig, pasteModel, struct, bNew, /*bUseDBSpecies,*/
            userResolvedRxElements);
            if (pasteHelper[0].issues.size() != 0) {
                printIssues(pasteHelper[0].issues, requester);
            }
            if (rxPasteInterface != null) {
                for (BioModelEntityObject newBioModelEntityObject : pasteHelper[0].reactionsAndSpeciesContexts.keySet()) {
                    ReactionCartoonTool.copyRelativePosition(rxPasteInterface.getGraphPane().getGraphModel(), pasteHelper[0].reactionsAndSpeciesContexts.get(newBioModelEntityObject), newBioModelEntityObject);
                }
                ReactionCartoonTool.selectAndSaveDiagram(rxPasteInterface, new ArrayList<BioModelEntityObject>(pasteHelper[0].reactionsAndSpeciesContexts.keySet()));
                // //Setup to allow dispatcher to set focus on a specified component after it closes the ProgressPopup
                setFinalWindow(hashTable, rxPasteInterface.getGraphPane());
            }
        }
    };
    ClientTaskDispatcher.dispatch(requester, new Hashtable<>(), new AsynchClientTask[] { issueTask, pasteRXTask }, false);
}

Example 25 with ReactionParticipant

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

the class ReactionCartoonTool method mouseReleased.

@Override
public void mouseReleased(MouseEvent event) {
    if (getReactionCartoon() == null) {
        return;
    }
    try {
        if (dragStructTimer != null) {
            dragStructTimer.stop();
        }
        endPointWorld = getReactionCartoon().getResizeManager().unzoom(event.getPoint());
        Shape endShape = getReactionCartoon().pickWorld(endPointWorld);
        if (event.isPopupTrigger() && mode == Mode.SELECT) {
            // win, linux popup
            popupMenu(getReactionCartoon().getSelectedShape(), event.getX(), event.getY());
            return;
        }
        if (mode == Mode.SELECT && bStartRxContainerLabel) {
            resetDropTargets(null, mode == Mode.STRUCTURE);
            if (endShape != null && endShape instanceof ReactionContainerShape) {
                Rectangle labelOutlineRectangle = ((ReactionContainerShape) endShape).getLabelOutline(endShape.getAbsX(), endShape.getAbsY());
                boolean bLabel = labelOutlineRectangle.contains(startPointWorld.x, startPointWorld.y);
                getGraphPane().setCursor((bLabel ? Cursor.getPredefinedCursor(Cursor.HAND_CURSOR) : Cursor.getPredefinedCursor(Cursor.DEFAULT_CURSOR)));
            }
            bStartRxContainerLabel = false;
            RXContainerDropTargetInfo trueRXContainerDropTargetInfo = getSelectedContainerDropTargetInfo();
            lastRXContainerDropTargetInfoMap = null;
            if (trueRXContainerDropTargetInfo == null) {
                // turn off rxDropTargetRectangles
                getGraphPane().repaint();
                return;
            }
            StructureSuite structureSuite = null;
            structureSuite = getReactionCartoon().getStructureSuite();
            if (structureSuite != null) {
                Structure[] originalOrderedStructArr = structureSuite.getStructures().toArray(new Structure[0]);
                // find where user wants to put the structure
                try {
                    if (trueRXContainerDropTargetInfo != null) {
                        ArrayList<Structure> newStructOrderList = new ArrayList<Structure>(Arrays.asList(originalOrderedStructArr));
                        newStructOrderList.remove(((ReactionContainerShape) startShape).getStructure());
                        int indexEnd = newStructOrderList.indexOf(((ReactionContainerShape) trueRXContainerDropTargetInfo.dropShape).getStructure());
                        int indexClosestNeighbor = (trueRXContainerDropTargetInfo.closestNeighborShape == null ? (trueRXContainerDropTargetInfo.insertFlag == RXContainerDropTargetInfo.INSERT_BEGINNING ? 0 : newStructOrderList.size()) : newStructOrderList.indexOf(((ReactionContainerShape) trueRXContainerDropTargetInfo.closestNeighborShape).getStructure()));
                        if (indexClosestNeighbor < indexEnd) {
                            newStructOrderList.add(indexEnd, ((ReactionContainerShape) startShape).getStructure());
                        } else {
                            newStructOrderList.add(indexClosestNeighbor, ((ReactionContainerShape) startShape).getStructure());
                        }
                        if (structureSuite instanceof AllStructureSuite) {
                            ((AllStructureSuite) structureSuite).setModelStructureOrder(true);
                        }
                        ArrayList<Diagram> newDiagramOrderList = new ArrayList<Diagram>();
                        for (Structure structure : newStructOrderList) {
                            newDiagramOrderList.add(getModel().getDiagram(structure));
                        }
                        getModel().setDiagrams(newDiagramOrderList.toArray(new Diagram[0]));
                    }
                } catch (Exception e) {
                    e.printStackTrace();
                }
            }
            return;
        }
        // else do select and move
        switch(mode) {
            case SELECT:
                {
                    getGraphPane().setCursor(Cursor.getDefaultCursor());
                    if (bMoving) {
                        getGraphPane().invalidate();
                        ((JViewport) getGraphPane().getParent()).revalidate();
                        getGraphPane().repaint();
                        saveDiagram();
                    } else if (bRectStretch) {
                        Point absLoc = rectShape.getSpaceManager().getRelPos();
                        Dimension size = rectShape.getSpaceManager().getSize();
                        // remove temporary rectangle
                        getReactionCartoon().removeShape(rectShape);
                        rectShape = null;
                        Rectangle rect = new Rectangle(absLoc.x, absLoc.y, size.width, size.height);
                        boolean bShift = (event.getModifiers() & InputEvent.SHIFT_MASK) == InputEvent.SHIFT_MASK;
                        boolean bCntrl = (event.getModifiers() & InputEvent.CTRL_MASK) == InputEvent.CTRL_MASK;
                        selectEventFromWorld(rect, bShift, bCntrl);
                        getGraphPane().repaint();
                    }
                    bMoving = false;
                    movingShape = null;
                    bRectStretch = false;
                    rectShape = null;
                    break;
                }
            case LINEDIRECTED:
                {
                    getGraphPane().setCursor(Cursor.getDefaultCursor());
                    if (bLineStretch && getDragDistanceSquared() >= MIN_DRAG_DISTANCE_TO_CREATE_NEW_ELEMENTS_SQUARED) {
                        bLineStretch = false;
                        // set label and color for line depending on which shape the edge started.
                        // (rather than attachment area on ReactionStepShape)
                        LineType lineType = getLineTypeFromDirection(startShape, endPointWorld);
                        if (endShape instanceof SimpleReactionShape) {
                            SimpleReaction simpleReaction = (SimpleReaction) endShape.getModelObject();
                            Object startShapeObject = null;
                            if (startShape != null) {
                                startShapeObject = startShape.getModelObject();
                            }
                            if (startShapeObject instanceof SpeciesContext) {
                                SpeciesContext speciesContext = (SpeciesContext) startShapeObject;
                                lineAction(speciesContext, simpleReaction);
                            } else if (startShapeObject instanceof Structure) {
                                Structure structure = (Structure) startShapeObject;
                                lineActon(structure, simpleReaction);
                            }
                        } else if (endShape instanceof SpeciesContextShape) {
                            SpeciesContext speciesContextEnd = (SpeciesContext) endShape.getModelObject();
                            Object startShapeObject = null;
                            if (startShape != null) {
                                startShapeObject = startShape.getModelObject();
                            }
                            if (startShapeObject instanceof SimpleReaction) {
                                SimpleReaction simpleReaction = (SimpleReaction) startShapeObject;
                                lineAction(simpleReaction, speciesContextEnd);
                            } else if (startShapeObject instanceof FluxReaction) {
                                FluxReaction fluxReaction = (FluxReaction) startShapeObject;
                                lineAction(fluxReaction, speciesContextEnd);
                            } else if (startShapeObject instanceof SpeciesContext) {
                                SpeciesContext speciesContextStart = (SpeciesContext) startShapeObject;
                                if (!speciesContextStart.equals(speciesContextEnd)) {
                                    lineAction(speciesContextStart, speciesContextEnd);
                                }
                            } else if (startShapeObject instanceof Structure) {
                                Structure startStructure = (Structure) startShapeObject;
                                lineAction(startStructure, speciesContextEnd);
                            }
                        } else if (endShape instanceof FluxReactionShape) {
                            FluxReaction fluxReaction = (FluxReaction) endShape.getModelObject();
                            fluxReaction.setModel(getModel());
                            Object startShapeObject = null;
                            if (startShape != null) {
                                startShapeObject = startShape.getModelObject();
                            }
                            if (startShapeObject instanceof SpeciesContext) {
                                SpeciesContext speciesContext = (SpeciesContext) startShapeObject;
                                lineAction(speciesContext, fluxReaction);
                            } else if (startShapeObject instanceof Structure) {
                                Structure structure = (Structure) startShapeObject;
                                lineActon(structure, fluxReaction);
                            }
                            // remove temporary edge
                            getReactionCartoon().removeShape(edgeShape);
                            edgeShape = null;
                        } else if (endShape instanceof ReactionContainerShape) {
                            Structure endStructure = (Structure) endShape.getModelObject();
                            Object startObject = null;
                            if (startShape != null) {
                                startObject = startShape.getModelObject();
                            }
                            if (startObject instanceof SimpleReaction) {
                                SimpleReaction reaction = (SimpleReaction) startObject;
                                lineAction(reaction, endStructure);
                            } else if (startObject instanceof FluxReaction) {
                                FluxReaction reaction = (FluxReaction) startObject;
                                lineAction(reaction, endStructure);
                            } else if (startObject instanceof SpeciesContext) {
                                SpeciesContext speciesContextStart = (SpeciesContext) startObject;
                                lineAction(speciesContextStart, endStructure);
                            } else if (startObject instanceof Structure) {
                                Structure startStructure = (Structure) startObject;
                                lineAction(startStructure, endStructure, endShape);
                            }
                        }
                    }
                    saveDiagram();
                    break;
                }
            case LINECATALYST:
                {
                    getGraphPane().setCursor(Cursor.getDefaultCursor());
                    if (bLineStretch && getDragDistanceSquared() >= MIN_DRAG_DISTANCE_TO_CREATE_NEW_ELEMENTS_SQUARED) {
                        bLineStretch = false;
                        // set label and color for line depending on which shape the edge started.
                        // (rather than attachment area on ReactionStepShape)
                        Object startObject = startShape.getModelObject();
                        Object endObject = endShape.getModelObject();
                        ReactionStep reactionStep = null;
                        SpeciesContext speciesContext = null;
                        if (startObject instanceof ReactionStep) {
                            reactionStep = (ReactionStep) startObject;
                            if (endObject instanceof SpeciesContext) {
                                if (StructureUtil.reactionHereCanHaveParticipantThere(reactionStep.getStructure(), ((SpeciesContext) endObject).getStructure())) {
                                    speciesContext = (SpeciesContext) endObject;
                                }
                            } else if (endObject instanceof Structure) {
                                Structure endStructure = (Structure) endObject;
                                if (StructureUtil.reactionHereCanHaveParticipantThere(reactionStep.getStructure(), endStructure)) {
                                    speciesContext = getReactionCartoon().getModel().createSpeciesContext(endStructure);
                                    getReactionCartoon().notifyChangeEvent();
                                    Point endPos = edgeShape.getEnd();
                                    positionShapeForObject(endStructure, speciesContext, endPos);
                                }
                            }
                        } else if (startObject instanceof SpeciesContext) {
                            speciesContext = (SpeciesContext) startObject;
                            if (endObject instanceof ReactionStep) {
                                if (StructureUtil.reactionHereCanHaveParticipantThere(((ReactionStep) endObject).getStructure(), speciesContext.getStructure())) {
                                    reactionStep = (ReactionStep) endObject;
                                }
                            } else if (endObject instanceof Structure) {
                                Structure endStructure = (Structure) endObject;
                                if (StructureUtil.reactionHereCanHaveParticipantThere(endStructure, speciesContext.getStructure())) {
                                    reactionStep = getReactionCartoon().getModel().createSimpleReaction(endStructure);
                                    getReactionCartoon().notifyChangeEvent();
                                    Point endPos = edgeShape.getEnd();
                                    positionShapeForObject(endStructure, reactionStep, endPos);
                                }
                            }
                        } else if (startObject instanceof Structure) {
                            Structure startStructure = (Structure) startObject;
                            if (endObject instanceof ReactionStep) {
                                reactionStep = (ReactionStep) endObject;
                                if (StructureUtil.reactionHereCanHaveParticipantThere(reactionStep.getStructure(), startStructure)) {
                                    speciesContext = getReactionCartoon().getModel().createSpeciesContext(startStructure);
                                    getReactionCartoon().notifyChangeEvent();
                                    positionShapeForObject(startStructure, speciesContext, startPointWorld);
                                }
                            } else if (endObject instanceof SpeciesContext) {
                                speciesContext = (SpeciesContext) endObject;
                                if (StructureUtil.reactionHereCanHaveParticipantThere(startStructure, speciesContext.getStructure())) {
                                    reactionStep = getReactionCartoon().getModel().createSimpleReaction(startStructure);
                                    getReactionCartoon().notifyChangeEvent();
                                    positionShapeForObject(startStructure, reactionStep, startPointWorld);
                                }
                            } else if (endObject instanceof Structure) {
                                Structure endStructure = (Structure) endObject;
                                if (StructureUtil.reactionHereCanHaveParticipantThere(startStructure, endStructure)) {
                                    speciesContext = getReactionCartoon().getModel().createSpeciesContext(endStructure);
                                    reactionStep = getReactionCartoon().getModel().createSimpleReaction(startStructure);
                                    getReactionCartoon().notifyChangeEvent();
                                    Point endPos = edgeShape.getEnd();
                                    positionShapeForObject(endStructure, speciesContext, endPos);
                                    positionShapeForObject(startStructure, reactionStep, startPointWorld);
                                } else if (StructureUtil.reactionHereCanHaveParticipantThere(endStructure, startStructure)) {
                                    speciesContext = getReactionCartoon().getModel().createSpeciesContext(startStructure);
                                    reactionStep = getReactionCartoon().getModel().createSimpleReaction(endStructure);
                                    getReactionCartoon().notifyChangeEvent();
                                    positionShapeForObject(startStructure, speciesContext, startPointWorld);
                                    Point endPos = edgeShape.getEnd();
                                    positionShapeForObject(endStructure, reactionStep, endPos);
                                }
                            }
                        }
                        if (reactionStep != null && speciesContext != null) {
                            Catalyst catalyst = null;
                            for (ReactionParticipant participant : reactionStep.getReactionParticipants()) {
                                if (participant instanceof Catalyst && participant.getSpeciesContext().equals(speciesContext)) {
                                    catalyst = (Catalyst) participant;
                                }
                            }
                            if (catalyst == null) {
                                reactionStep.addCatalyst(speciesContext);
                                getReactionCartoon().notifyChangeEvent();
                            }
                        // add reactionParticipant to model
                        } else {
                            getGraphPane().repaint();
                        }
                    }
                    saveDiagram();
                    break;
                }
            default:
                {
                    break;
                }
        }
    } catch (Exception e) {
        System.out.println("CartoonTool.mouseReleased: uncaught exception");
        e.printStackTrace(System.out);
    }
    resetMouseActionHistory();
    getGraphPane().repaint();
}