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

Example 1 with ReactionStep

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

the class SBMLImporter method addReactions.

/**
 * addReactions:
 */
protected void addReactions(VCMetaData metaData) {
    if (sbmlModel == null) {
        throw new SBMLImportException("SBML model is NULL");
    }
    ListOf<Reaction> reactions = sbmlModel.getListOfReactions();
    final int numReactions = reactions.size();
    if (numReactions == 0) {
        lg.info("No Reactions");
        return;
    }
    // all reactions
    ArrayList<ReactionStep> vcReactionList = new ArrayList<>();
    // just the fast ones
    ArrayList<ReactionStep> fastReactionList = new ArrayList<>();
    Model vcModel = vcBioModel.getSimulationContext(0).getModel();
    ModelUnitSystem vcModelUnitSystem = vcModel.getUnitSystem();
    SpeciesContext[] vcSpeciesContexts = vcModel.getSpeciesContexts();
    try {
        for (Reaction sbmlRxn : reactions) {
            ReactionStep vcReaction = null;
            String rxnName = sbmlRxn.getId();
            boolean bReversible = true;
            if (sbmlRxn.isSetReversible()) {
                bReversible = sbmlRxn.getReversible();
            }
            // Check of reaction annotation is present; if so, does it have
            // an embedded element (flux or simpleRxn).
            // Create a fluxReaction or simpleReaction accordingly.
            Element sbmlImportRelatedElement = sbmlAnnotationUtil.readVCellSpecificAnnotation(sbmlRxn);
            Structure reactionStructure = getReactionStructure(sbmlRxn, vcSpeciesContexts, sbmlImportRelatedElement);
            if (sbmlImportRelatedElement != null) {
                Element embeddedRxnElement = getEmbeddedElementInAnnotation(sbmlImportRelatedElement, REACTION);
                if (embeddedRxnElement != null) {
                    if (embeddedRxnElement.getName().equals(XMLTags.FluxStepTag)) {
                        // If embedded element is a flux reaction, set flux
                        // reaction's strucure, flux carrier, physicsOption
                        // from the element attributes.
                        String structName = embeddedRxnElement.getAttributeValue(XMLTags.StructureAttrTag);
                        CastInfo<Membrane> ci = SBMLHelper.getTypedStructure(Membrane.class, vcModel, structName);
                        if (!ci.isGood()) {
                            throw new SBMLImportException("Appears that the flux reaction is occuring on " + ci.actualName() + ", not a membrane.");
                        }
                        vcReaction = new FluxReaction(vcModel, ci.get(), null, rxnName, bReversible);
                        vcReaction.setModel(vcModel);
                        // Set the fluxOption on the flux reaction based on
                        // whether it is molecular, molecular & electrical,
                        // electrical.
                        String fluxOptionStr = embeddedRxnElement.getAttributeValue(XMLTags.FluxOptionAttrTag);
                        if (fluxOptionStr.equals(XMLTags.FluxOptionMolecularOnly)) {
                            ((FluxReaction) vcReaction).setPhysicsOptions(ReactionStep.PHYSICS_MOLECULAR_ONLY);
                        } else if (fluxOptionStr.equals(XMLTags.FluxOptionMolecularAndElectrical)) {
                            ((FluxReaction) vcReaction).setPhysicsOptions(ReactionStep.PHYSICS_MOLECULAR_AND_ELECTRICAL);
                        } else if (fluxOptionStr.equals(XMLTags.FluxOptionElectricalOnly)) {
                            ((FluxReaction) vcReaction).setPhysicsOptions(ReactionStep.PHYSICS_ELECTRICAL_ONLY);
                        } else {
                            localIssueList.add(new Issue(vcReaction, issueContext, IssueCategory.SBMLImport_Reaction, "Unknown FluxOption : " + fluxOptionStr + " for SBML reaction : " + rxnName, Issue.SEVERITY_WARNING));
                        // logger.sendMessage(VCLogger.Priority.MediumPriority,
                        // VCLogger.ErrorType.ReactionError,
                        // "Unknown FluxOption : " + fluxOptionStr +
                        // " for SBML reaction : " + rxnName);
                        }
                    } else if (embeddedRxnElement.getName().equals(XMLTags.SimpleReactionTag)) {
                        // if embedded element is a simple reaction, set
                        // simple reaction's structure from element
                        // attributes
                        vcReaction = new SimpleReaction(vcModel, reactionStructure, rxnName, bReversible);
                    }
                } else {
                    vcReaction = new SimpleReaction(vcModel, reactionStructure, rxnName, bReversible);
                }
            } else {
                vcReaction = new SimpleReaction(vcModel, reactionStructure, rxnName, bReversible);
            }
            // set annotations and notes on vcReactions[i]
            sbmlAnnotationUtil.readAnnotation(vcReaction, sbmlRxn);
            sbmlAnnotationUtil.readNotes(vcReaction, sbmlRxn);
            // the limit on the reactionName length.
            if (rxnName.length() > 64) {
                String freeTextAnnotation = metaData.getFreeTextAnnotation(vcReaction);
                if (freeTextAnnotation == null) {
                    freeTextAnnotation = "";
                }
                StringBuffer oldRxnAnnotation = new StringBuffer(freeTextAnnotation);
                oldRxnAnnotation.append("\n\n" + rxnName);
                metaData.setFreeTextAnnotation(vcReaction, oldRxnAnnotation.toString());
            }
            // Now add the reactants, products, modifiers as specified by
            // the sbmlRxn
            addReactionParticipants(sbmlRxn, vcReaction);
            KineticLaw kLaw = sbmlRxn.getKineticLaw();
            Kinetics kinetics = null;
            if (kLaw != null) {
                // Convert the formula from kineticLaw into MathML and then
                // to an expression (infix) to be used in VCell kinetics
                ASTNode sbmlRateMath = kLaw.getMath();
                Expression kLawRateExpr = getExpressionFromFormula(sbmlRateMath);
                Expression vcRateExpression = new Expression(kLawRateExpr);
                // modifier (catalyst) to the reaction.
                for (int k = 0; k < vcSpeciesContexts.length; k++) {
                    if (vcRateExpression.hasSymbol(vcSpeciesContexts[k].getName())) {
                        if ((vcReaction.getReactant(vcSpeciesContexts[k].getName()) == null) && (vcReaction.getProduct(vcSpeciesContexts[k].getName()) == null) && (vcReaction.getCatalyst(vcSpeciesContexts[k].getName()) == null)) {
                            // This means that the speciesContext is not a
                            // reactant, product or modifier : it has to be
                            // added to the VC Rxn as a catalyst
                            vcReaction.addCatalyst(vcSpeciesContexts[k]);
                        }
                    }
                }
                // set kinetics on VCell reaction
                if (bSpatial) {
                    // if spatial SBML ('isSpatial' attribute set), create
                    // DistributedKinetics)
                    SpatialReactionPlugin ssrplugin = (SpatialReactionPlugin) sbmlRxn.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
                    // 'spatial'
                    if (ssrplugin != null && ssrplugin.getIsLocal()) {
                        kinetics = new GeneralKinetics(vcReaction);
                    } else {
                        kinetics = new GeneralLumpedKinetics(vcReaction);
                    }
                } else {
                    kinetics = new GeneralLumpedKinetics(vcReaction);
                }
                // set kinetics on vcReaction
                vcReaction.setKinetics(kinetics);
                // If the name of the rate parameter has been changed by
                // user, or matches with global/local param,
                // it has to be changed.
                resolveRxnParameterNameConflicts(sbmlRxn, kinetics, sbmlImportRelatedElement);
                /**
                 * Now, based on the kinetic law expression, see if the rate
                 * is expressed in concentration/time or substance/time : If
                 * the compartment_id of the compartment corresponding to
                 * the structure in which the reaction takes place occurs in
                 * the rate law expression, it is in concentration/time;
                 * divide it by the compartment size and bring in the rate
                 * law as 'Distributed' kinetics. If not, the rate law is in
                 * substance/time; bring it in (as is) as 'Lumped' kinetics.
                 */
                ListOf<LocalParameter> localParameters = kLaw.getListOfLocalParameters();
                for (LocalParameter p : localParameters) {
                    String paramName = p.getId();
                    KineticsParameter kineticsParameter = kinetics.getKineticsParameter(paramName);
                    if (kineticsParameter == null) {
                        // add unresolved for now to prevent errors in kinetics.setParameterValue(kp,vcRateExpression) below
                        kinetics.addUnresolvedParameter(paramName);
                    }
                }
                KineticsParameter kp = kinetics.getAuthoritativeParameter();
                if (lg.isDebugEnabled()) {
                    lg.debug("Setting " + kp.getName() + ":  " + vcRateExpression.infix());
                }
                kinetics.setParameterValue(kp, vcRateExpression);
                // If there are any global parameters used in the kinetics,
                // and if they have species,
                // check if the species are already reactionParticipants in
                // the reaction. If not, add them as catalysts.
                KineticsProxyParameter[] kpps = kinetics.getProxyParameters();
                for (int j = 0; j < kpps.length; j++) {
                    if (kpps[j].getTarget() instanceof ModelParameter) {
                        ModelParameter mp = (ModelParameter) kpps[j].getTarget();
                        HashSet<String> refSpeciesNameHash = new HashSet<String>();
                        getReferencedSpeciesInExpr(mp.getExpression(), refSpeciesNameHash);
                        java.util.Iterator<String> refSpIterator = refSpeciesNameHash.iterator();
                        while (refSpIterator.hasNext()) {
                            String spName = refSpIterator.next();
                            org.sbml.jsbml.Species sp = sbmlModel.getSpecies(spName);
                            ArrayList<ReactionParticipant> rpArray = getVCReactionParticipantsFromSymbol(vcReaction, sp.getId());
                            if (rpArray == null || rpArray.size() == 0) {
                                // This means that the speciesContext is not
                                // a reactant, product or modifier : it has
                                // to be added as a catalyst
                                vcReaction.addCatalyst(vcModel.getSpeciesContext(sp.getId()));
                            }
                        }
                    }
                }
                // model - local params cannot be defined by rules.
                for (LocalParameter param : localParameters) {
                    String paramName = param.getId();
                    Expression exp = new Expression(param.getValue());
                    String unitString = param.getUnits();
                    VCUnitDefinition paramUnit = sbmlUnitIdentifierHash.get(unitString);
                    if (paramUnit == null) {
                        paramUnit = vcModelUnitSystem.getInstance_TBD();
                    }
                    // check if sbml local param is in kinetic params list;
                    // if so, add its value.
                    boolean lpSet = false;
                    KineticsParameter kineticsParameter = kinetics.getKineticsParameter(paramName);
                    if (kineticsParameter != null) {
                        if (lg.isDebugEnabled()) {
                            lg.debug("Setting local " + kineticsParameter.getName() + ":  " + exp.infix());
                        }
                        kineticsParameter.setExpression(exp);
                        kineticsParameter.setUnitDefinition(paramUnit);
                        lpSet = true;
                    } else {
                        UnresolvedParameter ur = kinetics.getUnresolvedParameter(paramName);
                        if (ur != null) {
                            kinetics.addUserDefinedKineticsParameter(paramName, exp, paramUnit);
                            lpSet = true;
                        }
                    }
                    if (!lpSet) {
                        // check if it is a proxy parameter (specifically,
                        // speciesContext or model parameter (structureSize
                        // too)).
                        KineticsProxyParameter kpp = kinetics.getProxyParameter(paramName);
                        // and units to local param values
                        if (kpp != null && kpp.getTarget() instanceof ModelParameter) {
                            kinetics.convertParameterType(kpp, false);
                            kineticsParameter = kinetics.getKineticsParameter(paramName);
                            kinetics.setParameterValue(kineticsParameter, exp);
                            kineticsParameter.setUnitDefinition(paramUnit);
                        }
                    }
                }
            } else {
                // sbmlKLaw was null, so creating a GeneralKinetics with 0.0
                // as rate.
                kinetics = new GeneralKinetics(vcReaction);
            }
            // end - if-else KLaw != null
            // set the reaction kinetics, and add reaction to the vcell
            // model.
            kinetics.resolveUndefinedUnits();
            // System.out.println("ADDED SBML REACTION : \"" + rxnName +
            // "\" to VCModel");
            vcReactionList.add(vcReaction);
            if (sbmlRxn.isSetFast() && sbmlRxn.getFast()) {
                fastReactionList.add(vcReaction);
            }
        }
        // end - for vcReactions
        ReactionStep[] array = vcReactionList.toArray(new ReactionStep[vcReactionList.size()]);
        vcModel.setReactionSteps(array);
        final ReactionContext rc = vcBioModel.getSimulationContext(0).getReactionContext();
        for (ReactionStep frs : fastReactionList) {
            final ReactionSpec rs = rc.getReactionSpec(frs);
            rs.setReactionMapping(ReactionSpec.FAST);
        }
    } catch (ModelPropertyVetoException mpve) {
        throw new SBMLImportException(mpve.getMessage(), mpve);
    } catch (Exception e1) {
        e1.printStackTrace(System.out);
        throw new SBMLImportException(e1.getMessage(), e1);
    }
}

Example 2 with ReactionStep

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

the class DBReactionWizardPanel method applySelectedReactionElements.

/**
 * Comment
 */
private void applySelectedReactionElements() {
    AsynchClientTask getRXSourceModelTask = new AsynchClientTask("Get RX source model", AsynchClientTask.TASKTYPE_NONSWING_BLOCKING) {

        @Override
        public void run(Hashtable<String, Object> hashTable) throws Exception {
            // Get the complete original model the user selected reaction is from
            Model fromModel = getDocumentManager().getBioModel(resolvedReaction.getVCellBioModelID()).getModel();
            // find the user selected ReactionStep in the original model
            ReactionStep fromRXStep = null;
            ReactionStep[] rxArr = fromModel.getReactionSteps();
            for (int i = 0; i < rxArr.length; i++) {
                if (rxArr[i].getKey().equals(resolvedReaction.getVCellRXID())) {
                    fromRXStep = rxArr[i];
                    break;
                }
            }
            // Create user assignment preferences
            BioCartoonTool.UserResolvedRxElements userResolvedRxElements = new BioCartoonTool.UserResolvedRxElements();
            userResolvedRxElements.fromSpeciesContextArr = new SpeciesContext[resolvedReaction.elementCount()];
            userResolvedRxElements.toSpeciesArr = new Species[resolvedReaction.elementCount()];
            userResolvedRxElements.toStructureArr = new Structure[resolvedReaction.elementCount()];
            StringBuffer warningsSB = new StringBuffer();
            for (int i = 0; i < resolvedReaction.elementCount(); i++) {
                System.out.println(resolvedReaction.getOrigSpeciesContextName(i));
                userResolvedRxElements.fromSpeciesContextArr[i] = fromModel.getSpeciesContext(resolvedReaction.getOrigSpeciesContextName(i));
                userResolvedRxElements.toSpeciesArr[i] = (speciesAssignmentJCB[i].getSelectedItem() instanceof Species ? (Species) speciesAssignmentJCB[i].getSelectedItem() : null);
                userResolvedRxElements.toStructureArr[i] = (Structure) structureAssignmentJCB[i].getSelectedItem();
                if (userResolvedRxElements.toSpeciesArr[i] != null) {
                    SpeciesContext fromSpeciesContext = userResolvedRxElements.fromSpeciesContextArr[i];
                    Species toSpecies = userResolvedRxElements.toSpeciesArr[i];
                    if (fromSpeciesContext.getSpecies().getDBSpecies() != null && !Compare.isEqualOrNull(toSpecies.getDBSpecies(), fromSpeciesContext.getSpecies().getDBSpecies())) {
                        warningsSB.append((warningsSB.length() > 0 ? "\n" : "") + "'" + fromSpeciesContext.getSpecies().getCommonName() + "' formal(" + (fromSpeciesContext.getSpecies().getDBSpecies() != null ? fromSpeciesContext.getSpecies().getDBSpecies().getPreferredName() : "null") + ")" + "\nwill be re-assigned to\n" + "'" + toSpecies.getCommonName() + "' formal(" + (toSpecies.getDBSpecies() != null ? toSpecies.getDBSpecies().getPreferredName() : "null") + ")");
                    }
                }
            }
            if (warningsSB.length() > 0) {
                final String proceed = "Add reaction anyway";
                final String cancel = "Cancel";
                String result = DialogUtils.showWarningDialog(DBReactionWizardPanel.this, "A user choice selected under 'Assign to Model species' will force re-assignment of " + "the formal reference for one of the species in the reaction.\n" + warningsSB, new String[] { proceed, cancel }, cancel);
                if (result.equals(cancel)) {
                    throw UserCancelException.CANCEL_GENERIC;
                }
            }
            hashTable.put("fromRXStep", fromRXStep);
            hashTable.put("userResolvedRxElements", userResolvedRxElements);
        }
    };
    AsynchClientTask pasteReactionTask = new AsynchClientTask("Paste reaction", AsynchClientTask.TASKTYPE_SWING_BLOCKING) {

        @Override
        public void run(Hashtable<String, Object> hashTable) throws Exception {
            // TODO Auto-generated method stub
            Model pasteToModel = DBReactionWizardPanel.this.getModel();
            Structure pasteToStructure = DBReactionWizardPanel.this.getStructure();
            BioCartoonTool.pasteReactionSteps(DBReactionWizardPanel.this, new ReactionStep[] { (ReactionStep) hashTable.get("fromRXStep") }, pasteToModel, pasteToStructure, false, (UserResolvedRxElements) hashTable.get("userResolvedRxElements"), rxPasteInterface);
            closeParent();
        }
    };
    ClientTaskDispatcher.dispatch(this, new Hashtable<String, Object>(), new AsynchClientTask[] { getRXSourceModelTask, pasteReactionTask }, false, false, null, true);
}

Example 3 with ReactionStep

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

the class BNGWindowManager method importSbml.

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

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

            public void sendAllMessages() {
            }

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

Example 4 with ReactionStep

use of cbit.vcell.model.ReactionStep 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 5 with ReactionStep

use of cbit.vcell.model.ReactionStep 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();
}