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Example 26 with Kinetics

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

the class BioModelParametersTableModel method setValueAt.

public void setValueAt(Object value, int row, int col) {
    if (value == null) {
        return;
    }
    try {
        String inputValue = (String) value;
        inputValue = inputValue.trim();
        EditableSymbolTableEntry parameter = getValueAt(row);
        switch(col) {
            case COLUMN_NAME:
                {
                    if (inputValue.length() == 0) {
                        return;
                    }
                    parameter.setName(inputValue);
                    break;
                }
            case COLUMN_EXPRESSION:
                {
                    String newExpressionString = inputValue;
                    if (parameter instanceof SpeciesContextSpec.SpeciesContextSpecParameter) {
                        SpeciesContextSpec.SpeciesContextSpecParameter scsParm = (SpeciesContextSpec.SpeciesContextSpecParameter) parameter;
                        Expression newExp = null;
                        if (newExpressionString == null || newExpressionString.trim().length() == 0) {
                            if (scsParm.getRole() == SpeciesContextSpec.ROLE_InitialConcentration || scsParm.getRole() == SpeciesContextSpec.ROLE_DiffusionRate || scsParm.getRole() == SpeciesContextSpec.ROLE_InitialCount) {
                                newExp = new Expression(0.0);
                            }
                        } else {
                            newExp = new Expression(newExpressionString);
                        }
                        scsParm.setExpression(newExp);
                    } else if (parameter instanceof KineticsParameter) {
                        Expression exp1 = new Expression(inputValue);
                        Kinetics kinetics = ((KineticsParameter) parameter).getKinetics();
                        kinetics.setParameterValue((Kinetics.KineticsParameter) parameter, exp1);
                    } else {
                        Expression exp1 = new Expression(inputValue);
                        exp1.bindExpression(parameter.getNameScope().getScopedSymbolTable());
                        parameter.setExpression(exp1);
                    }
                    break;
                }
            case COLUMN_UNIT:
                {
                    ModelUnitSystem modelUnitSystem = getModel().getUnitSystem();
                    if (inputValue.length() == 0) {
                        parameter.setUnitDefinition(modelUnitSystem.getInstance_TBD());
                    } else {
                        if (!parameter.getUnitDefinition().getSymbol().equals(inputValue)) {
                            parameter.setUnitDefinition(modelUnitSystem.getInstance(inputValue));
                        }
                    }
                    break;
                }
        }
    } catch (Exception e) {
        e.printStackTrace(System.out);
        DialogUtils.showErrorDialog(ownerTable, e.getMessage());
    }
}
Also used : KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter) ScopedExpression(cbit.gui.ScopedExpression) Expression(cbit.vcell.parser.Expression) Kinetics(cbit.vcell.model.Kinetics) SpeciesContextSpec(cbit.vcell.mapping.SpeciesContextSpec) EditableSymbolTableEntry(cbit.vcell.model.EditableSymbolTableEntry) ModelUnitSystem(cbit.vcell.model.ModelUnitSystem)

Example 27 with Kinetics

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

the class BioModelParametersTableModel method bioModelChange.

@Override
protected void bioModelChange(PropertyChangeEvent evt) {
    super.bioModelChange(evt);
    BioModel oldValue = (BioModel) evt.getOldValue();
    if (oldValue != null) {
        for (EditableSymbolTableEntry parameter : oldValue.getModel().getModelParameters()) {
            parameter.removePropertyChangeListener(this);
        }
        for (SpeciesContext sc : oldValue.getModel().getSpeciesContexts()) {
            sc.removePropertyChangeListener(this);
        }
        for (ReactionStep reactionStep : oldValue.getModel().getReactionSteps()) {
            reactionStep.removePropertyChangeListener(this);
            Kinetics kinetics = reactionStep.getKinetics();
            kinetics.removePropertyChangeListener(this);
            for (KineticsParameter kineticsEditableSymbolTableEntry : kinetics.getKineticsParameters()) {
                kineticsEditableSymbolTableEntry.removePropertyChangeListener(this);
            }
            for (ProxyParameter proxyEditableSymbolTableEntry : kinetics.getProxyParameters()) {
                proxyEditableSymbolTableEntry.removePropertyChangeListener(this);
            }
            for (UnresolvedParameter unresolvedEditableSymbolTableEntry : kinetics.getUnresolvedParameters()) {
                unresolvedEditableSymbolTableEntry.removePropertyChangeListener(this);
            }
        }
        for (SimulationContext simulationContext : oldValue.getSimulationContexts()) {
            simulationContext.removePropertyChangeListener(this);
            simulationContext.getGeometryContext().removePropertyChangeListener(this);
            for (StructureMapping mapping : simulationContext.getGeometryContext().getStructureMappings()) {
                mapping.removePropertyChangeListener(this);
                for (EditableSymbolTableEntry parameter : mapping.getParameters()) {
                    parameter.removePropertyChangeListener(this);
                }
            }
            simulationContext.getReactionContext().removePropertyChangeListener(this);
            for (SpeciesContextSpec spec : simulationContext.getReactionContext().getSpeciesContextSpecs()) {
                spec.removePropertyChangeListener(this);
                for (EditableSymbolTableEntry parameter : spec.getParameters()) {
                    parameter.removePropertyChangeListener(this);
                }
            }
            for (ElectricalStimulus elect : simulationContext.getElectricalStimuli()) {
                elect.removePropertyChangeListener(this);
                for (EditableSymbolTableEntry parameter : elect.getParameters()) {
                    parameter.removePropertyChangeListener(this);
                }
            }
            for (SpatialObject spatialObject : simulationContext.getSpatialObjects()) {
                spatialObject.removePropertyChangeListener(this);
            }
            for (SpatialProcess spatialProcess : simulationContext.getSpatialProcesses()) {
                spatialProcess.removePropertyChangeListener(this);
                for (LocalParameter p : spatialProcess.getParameters()) {
                    p.removePropertyChangeListener(this);
                }
            }
            for (SimulationContextParameter p : simulationContext.getSimulationContextParameters()) {
                p.removePropertyChangeListener(this);
            }
        }
    }
    BioModel newValue = (BioModel) evt.getNewValue();
    if (newValue != null) {
        for (ModelParameter modelEditableSymbolTableEntry : newValue.getModel().getModelParameters()) {
            modelEditableSymbolTableEntry.addPropertyChangeListener(this);
        }
        for (SpeciesContext sc : newValue.getModel().getSpeciesContexts()) {
            sc.addPropertyChangeListener(this);
        }
        for (ReactionStep reactionStep : newValue.getModel().getReactionSteps()) {
            reactionStep.addPropertyChangeListener(this);
            Kinetics kinetics = reactionStep.getKinetics();
            kinetics.addPropertyChangeListener(this);
            for (KineticsParameter kineticsEditableSymbolTableEntry : kinetics.getKineticsParameters()) {
                kineticsEditableSymbolTableEntry.addPropertyChangeListener(this);
            }
            for (ProxyParameter proxyEditableSymbolTableEntry : kinetics.getProxyParameters()) {
                proxyEditableSymbolTableEntry.addPropertyChangeListener(this);
            }
            for (UnresolvedParameter unresolvedEditableSymbolTableEntry : kinetics.getUnresolvedParameters()) {
                unresolvedEditableSymbolTableEntry.addPropertyChangeListener(this);
            }
        }
        for (SimulationContext simulationContext : newValue.getSimulationContexts()) {
            simulationContext.addPropertyChangeListener(this);
            simulationContext.getGeometryContext().addPropertyChangeListener(this);
            for (StructureMapping mapping : simulationContext.getGeometryContext().getStructureMappings()) {
                mapping.addPropertyChangeListener(this);
                for (EditableSymbolTableEntry parameter : mapping.getParameters()) {
                    parameter.addPropertyChangeListener(this);
                }
            }
            simulationContext.getReactionContext().addPropertyChangeListener(this);
            for (SpeciesContextSpec spec : simulationContext.getReactionContext().getSpeciesContextSpecs()) {
                spec.addPropertyChangeListener(this);
                for (EditableSymbolTableEntry parameter : spec.getParameters()) {
                    parameter.addPropertyChangeListener(this);
                }
            }
            for (ElectricalStimulus elect : simulationContext.getElectricalStimuli()) {
                elect.addPropertyChangeListener(this);
                for (EditableSymbolTableEntry parameter : elect.getParameters()) {
                    parameter.addPropertyChangeListener(this);
                }
            }
            for (SpatialObject spatialObject : simulationContext.getSpatialObjects()) {
                spatialObject.addPropertyChangeListener(this);
            }
            for (SpatialProcess spatialProcess : simulationContext.getSpatialProcesses()) {
                spatialProcess.addPropertyChangeListener(this);
                for (LocalParameter p : spatialProcess.getParameters()) {
                    p.addPropertyChangeListener(this);
                }
            }
            for (SimulationContextParameter p : simulationContext.getSimulationContextParameters()) {
                p.addPropertyChangeListener(this);
            }
        }
    }
}
Also used : UnresolvedParameter(cbit.vcell.model.Kinetics.UnresolvedParameter) SpeciesContext(cbit.vcell.model.SpeciesContext) SimulationContext(cbit.vcell.mapping.SimulationContext) SpeciesContextSpec(cbit.vcell.mapping.SpeciesContextSpec) SimulationContextParameter(cbit.vcell.mapping.SimulationContext.SimulationContextParameter) StructureMapping(cbit.vcell.mapping.StructureMapping) SpatialObject(cbit.vcell.mapping.spatial.SpatialObject) LocalParameter(cbit.vcell.mapping.ParameterContext.LocalParameter) ElectricalStimulus(cbit.vcell.mapping.ElectricalStimulus) ModelParameter(cbit.vcell.model.Model.ModelParameter) ProxyParameter(cbit.vcell.model.ProxyParameter) KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter) SpatialProcess(cbit.vcell.mapping.spatial.processes.SpatialProcess) BioModel(cbit.vcell.biomodel.BioModel) ReactionStep(cbit.vcell.model.ReactionStep) Kinetics(cbit.vcell.model.Kinetics) EditableSymbolTableEntry(cbit.vcell.model.EditableSymbolTableEntry)

Example 28 with Kinetics

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

the class BioModelEditorModelPanel method initialize.

private void initialize() {
    newButton = new JButton("New");
    newButton2 = new JButton("New Rule");
    newMemButton = new JButton("New Membrane");
    deleteButton = new JButton("Delete");
    duplicateButton = new JButton("Duplicate");
    pathwayButton = new JButton("Pathway Links", new DownArrowIcon());
    pathwayButton.setHorizontalTextPosition(SwingConstants.LEFT);
    textFieldSearch = new JTextField();
    textFieldSearch.putClientProperty("JTextField.variant", "search");
    structuresTable = new EditorScrollTable();
    reactionsTable = new EditorScrollTable();
    speciesTable = new EditorScrollTable();
    molecularTypeTable = new EditorScrollTable();
    observablesTable = new EditorScrollTable();
    structureTableModel = new BioModelEditorStructureTableModel(structuresTable);
    reactionTableModel = new BioModelEditorReactionTableModel(reactionsTable);
    speciesTableModel = new BioModelEditorSpeciesTableModel(speciesTable);
    molecularTypeTableModel = new MolecularTypeTableModel(molecularTypeTable);
    observableTableModel = new ObservableTableModel(observablesTable);
    structuresTable.setModel(structureTableModel);
    reactionsTable.setModel(reactionTableModel);
    speciesTable.setModel(speciesTableModel);
    molecularTypeTable.setModel(molecularTypeTableModel);
    observablesTable.setModel(observableTableModel);
    reactionCartoonEditorPanel = new ReactionCartoonEditorPanel();
    reactionCartoonEditorPanel.addPropertyChangeListener(eventHandler);
    reactionCartoonEditorPanel.getReactionCartoonFull().addPropertyChangeListener(eventHandler);
    reactionCartoonEditorPanel.getReactionCartoonMolecule().addPropertyChangeListener(eventHandler);
    reactionCartoonEditorPanel.getReactionCartoonRule().addPropertyChangeListener(eventHandler);
    // cartoonEditorPanel  = new CartoonEditorPanelFixed();
    // cartoonEditorPanel.getStructureCartoon().addPropertyChangeListener(eventHandler);
    /* button panel */
    buttonPanel = new JPanel();
    buttonPanel.setLayout(new GridBagLayout());
    GridBagConstraints gbc = new GridBagConstraints();
    gbc.gridx = 0;
    gbc.gridy = 0;
    gbc.insets = new Insets(4, 4, 4, 4);
    gbc.anchor = GridBagConstraints.LINE_END;
    buttonPanel.add(newButton, gbc);
    gbc = new GridBagConstraints();
    gbc.gridx = 1;
    gbc.gridy = 0;
    gbc.insets = new Insets(4, 4, 4, 4);
    gbc.anchor = GridBagConstraints.LINE_END;
    buttonPanel.add(newButton2, gbc);
    gbc = new GridBagConstraints();
    gbc.gridx = 2;
    gbc.gridy = 0;
    gbc.insets = new Insets(4, 4, 4, 4);
    gbc.anchor = GridBagConstraints.LINE_END;
    buttonPanel.add(newMemButton, gbc);
    gbc = new GridBagConstraints();
    gbc.gridx = 3;
    gbc.insets = new Insets(4, 4, 4, 4);
    gbc.gridy = 0;
    gbc.anchor = GridBagConstraints.LINE_END;
    buttonPanel.add(duplicateButton, gbc);
    gbc = new GridBagConstraints();
    gbc.gridx = 4;
    gbc.insets = new Insets(4, 4, 4, 4);
    gbc.gridy = 0;
    gbc.anchor = GridBagConstraints.LINE_END;
    buttonPanel.add(deleteButton, gbc);
    gbc = new GridBagConstraints();
    gbc.gridx = 5;
    gbc.insets = new Insets(4, 4, 4, 4);
    gbc.gridy = 0;
    gbc.anchor = GridBagConstraints.LINE_END;
    buttonPanel.add(pathwayButton, gbc);
    gbc = new GridBagConstraints();
    gbc.gridx = 6;
    gbc.gridy = 0;
    gbc.weightx = 0.5;
    gbc.fill = GridBagConstraints.HORIZONTAL;
    gbc.insets = new Insets(4, 4, 4, 4);
    buttonPanel.add(Box.createRigidArea(new Dimension(5, 5)), gbc);
    gbc = new GridBagConstraints();
    gbc.gridx = 7;
    gbc.gridy = 0;
    gbc.anchor = GridBagConstraints.LINE_END;
    gbc.insets = new Insets(4, 4, 4, 4);
    buttonPanel.add(new JLabel("Search "), gbc);
    gbc = new GridBagConstraints();
    gbc.gridx = 8;
    gbc.gridy = 0;
    gbc.weightx = 1.5;
    gbc.anchor = GridBagConstraints.LINE_START;
    gbc.fill = GridBagConstraints.HORIZONTAL;
    gbc.insets = new Insets(4, 4, 4, 4);
    buttonPanel.add(textFieldSearch, gbc);
    /* button panel */
    tabbedPane = new JTabbedPaneEnhanced();
    tabbedPane.setTabLayoutPolicy(JTabbedPane.SCROLL_TAB_LAYOUT);
    modelPanelTabs[ModelPanelTabID.reaction_diagram.ordinal()] = new ModelPanelTab(ModelPanelTabID.reaction_diagram, reactionCartoonEditorPanel, VCellIcons.diagramIcon);
    // modelPanelTabs[ModelPanelTabID.structure_diagram.ordinal()] = new ModelPanelTab(ModelPanelTabID.structure_diagram, cartoonEditorPanel, VCellIcons.structureIcon);
    modelPanelTabs[ModelPanelTabID.reaction_table.ordinal()] = new ModelPanelTab(ModelPanelTabID.reaction_table, reactionsTable.getEnclosingScrollPane(), VCellIcons.tableIcon);
    modelPanelTabs[ModelPanelTabID.structure_table.ordinal()] = new ModelPanelTab(ModelPanelTabID.structure_table, structuresTable.getEnclosingScrollPane(), VCellIcons.tableIcon);
    modelPanelTabs[ModelPanelTabID.species_table.ordinal()] = new ModelPanelTab(ModelPanelTabID.species_table, speciesTable.getEnclosingScrollPane(), VCellIcons.tableIcon);
    modelPanelTabs[ModelPanelTabID.species_definitions_table.ordinal()] = new ModelPanelTab(ModelPanelTabID.species_definitions_table, molecularTypeTable.getEnclosingScrollPane(), VCellIcons.tableIcon);
    modelPanelTabs[ModelPanelTabID.observables_table.ordinal()] = new ModelPanelTab(ModelPanelTabID.observables_table, observablesTable.getEnclosingScrollPane(), VCellIcons.tableIcon);
    tabbedPane.addChangeListener(eventHandler);
    tabbedPane.addMouseListener(eventHandler);
    for (ModelPanelTab tab : modelPanelTabs) {
        tab.getComponent().setBorder(GuiConstants.TAB_PANEL_BORDER);
        tabbedPane.addTab(tab.getName(), tab.getIcon(), tab.getComponent());
    }
    // tabbedPane.addChangeListener(changeListener);
    setLayout(new BorderLayout());
    add(tabbedPane, BorderLayout.CENTER);
    add(buttonPanel, BorderLayout.SOUTH);
    newButton.addActionListener(eventHandler);
    newButton2.addActionListener(eventHandler);
    newMemButton.addActionListener(eventHandler);
    duplicateButton.addActionListener(eventHandler);
    duplicateButton.setEnabled(false);
    deleteButton.addActionListener(eventHandler);
    deleteButton.setEnabled(false);
    pathwayButton.addActionListener(eventHandler);
    pathwayButton.setEnabled(false);
    textFieldSearch.addActionListener(eventHandler);
    textFieldSearch.getDocument().addDocumentListener(eventHandler);
    structuresTable.getSelectionModel().addListSelectionListener(eventHandler);
    reactionsTable.getSelectionModel().addListSelectionListener(eventHandler);
    speciesTable.getSelectionModel().addListSelectionListener(eventHandler);
    molecularTypeTable.getSelectionModel().addListSelectionListener(eventHandler);
    observablesTable.getSelectionModel().addListSelectionListener(eventHandler);
    DefaultScrollTableCellRenderer tableRenderer = new DefaultScrollTableCellRenderer() {

        @Override
        public Component getTableCellRendererComponent(JTable table, Object value, boolean isSelected, boolean hasFocus, int row, int column) {
            super.getTableCellRendererComponent(table, value, isSelected, hasFocus, row, column);
            if (value instanceof Structure) {
                setText(((Structure) value).getName());
            } else if (value instanceof Kinetics) {
                setText(((Kinetics) value).getKineticsDescription().getDescription());
            } else if (value instanceof RbmKineticLaw) {
                setText(((RbmKineticLaw) value).getRateLawType().name());
            }
            return this;
        }
    };
    RbmTableRenderer rbmTableRenderer = new RbmTableRenderer();
    structuresTable.setDefaultRenderer(Structure.class, tableRenderer);
    speciesTable.setDefaultRenderer(Structure.class, tableRenderer);
    reactionsTable.setDefaultRenderer(Structure.class, tableRenderer);
    reactionsTable.setDefaultRenderer(Kinetics.class, tableRenderer);
    reactionsTable.setDefaultRenderer(RbmKineticLaw.class, tableRenderer);
    reactionsTable.setDefaultRenderer(ModelProcessDynamics.class, tableRenderer);
    DefaultScrollTableCellRenderer tableCellRenderer = new DefaultScrollTableCellRenderer() {

        @Override
        public Component getTableCellRendererComponent(JTable table, Object value, boolean isSelected, boolean hasFocus, int row, int column) {
            super.getTableCellRendererComponent(table, value, isSelected, hasFocus, row, column);
            BioModelEntityObject bioModelEntityObject = null;
            if (table.getModel() instanceof VCellSortTableModel<?>) {
                if (table.getModel() == reactionTableModel && reactionTableModel.getValueAt(row) instanceof BioModelEntityObject) {
                    bioModelEntityObject = (BioModelEntityObject) reactionTableModel.getValueAt(row);
                } else if (table.getModel() == speciesTableModel) {
                    bioModelEntityObject = speciesTableModel.getValueAt(row);
                } else if (table.getModel() == molecularTypeTableModel) {
                    bioModelEntityObject = molecularTypeTableModel.getValueAt(row);
                }
                if (bioModelEntityObject != null) {
                    Set<RelationshipObject> relationshipSet = bioModel.getRelationshipModel().getRelationshipObjects(bioModelEntityObject);
                    if (relationshipSet.size() > 0) {
                        StringBuilder tooltip = new StringBuilder("<html>Links to Pathway objects:<br>");
                        for (RelationshipObject ro : relationshipSet) {
                            tooltip.append("<li>" + ro.getBioPaxObject() + "</li>");
                        }
                        if (!isSelected) {
                            setForeground(Color.blue);
                        }
                        String finalName = null;
                        BioPaxObject bioPaxObject = relationshipSet.iterator().next().getBioPaxObject();
                        if (bioPaxObject instanceof EntityImpl && ((EntityImpl) bioPaxObject).getName() != null && ((EntityImpl) bioPaxObject).getName().size() > 0) {
                            finalName = ((EntityImpl) bioPaxObject).getName().get(0);
                        } else if (bioPaxObject instanceof Conversion) {
                            Conversion mp = (Conversion) bioPaxObject;
                            finalName = "[" + bioPaxObject.getIDShort() + "]";
                        } else {
                            finalName = bioModelEntityObject.getName();
                        }
                        final int LIMIT = 40;
                        final String DOTS = "...";
                        if (finalName != null && finalName.length() > LIMIT) {
                            finalName = finalName.substring(0, LIMIT - DOTS.length() - 1) + DOTS;
                        }
                        setText("<html><u>" + finalName + "</u></html>");
                        setToolTipText(tooltip.toString());
                    }
                }
            }
            return this;
        }
    };
    DefaultScrollTableCellRenderer rbmReactionExpressionCellRenderer = new DefaultScrollTableCellRenderer() {

        @Override
        public Component getTableCellRendererComponent(JTable table, Object value, boolean isSelected, boolean hasFocus, int row, int column) {
            super.getTableCellRendererComponent(table, value, isSelected, hasFocus, row, column);
            if (table.getModel() instanceof VCellSortTableModel<?>) {
                Object selectedObject = null;
                if (table.getModel() == reactionTableModel) {
                    selectedObject = reactionTableModel.getValueAt(row);
                }
                if (selectedObject != null) {
                    if (selectedObject instanceof ReactionRule && value instanceof ModelProcessEquation) {
                        String text = "<html>";
                        text += "Reaction Rule";
                        text += "</html>";
                        setText(text);
                    } else {
                        // plain reaction, check if reactants have species pattern
                        ReactionStep rs = (ReactionStep) selectedObject;
                        String text = "<html>";
                        for (int i = 0; i < rs.getNumReactants(); i++) {
                            Reactant p = rs.getReactant(i);
                            if (p.getSpeciesContext().hasSpeciesPattern()) {
                                text += p.getStoichiometry() > 1 ? (p.getStoichiometry() + "") : "";
                                // text += "<b>" + p.getName() + "</b>";
                                text += p.getName();
                            } else {
                                text += p.getStoichiometry() > 1 ? (p.getStoichiometry() + "") : "";
                                text += p.getName();
                            }
                            if (i < rs.getNumReactants() - 1) {
                                text += " + ";
                            }
                        }
                        text += " -&gt; ";
                        for (int i = 0; i < rs.getNumProducts(); i++) {
                            Product p = rs.getProduct(i);
                            if (p.getSpeciesContext().hasSpeciesPattern()) {
                                text += p.getStoichiometry() > 1 ? (p.getStoichiometry() + "") : "";
                                // text += "<b>" + p.getName() + "</b>";
                                text += p.getName();
                            } else {
                                text += p.getStoichiometry() > 1 ? (p.getStoichiometry() + "") : "";
                                text += p.getName();
                            }
                            if (i < rs.getNumProducts() - 1) {
                                text += " + ";
                            }
                        }
                        text += "</html>";
                        setText(text);
                    }
                }
            }
            return this;
        }
    };
    DefaultScrollTableCellRenderer rbmReactionDefinitionCellRenderer = new DefaultScrollTableCellRenderer() {

        @Override
        public Component getTableCellRendererComponent(JTable table, Object value, boolean isSelected, boolean hasFocus, int row, int column) {
            super.getTableCellRendererComponent(table, value, isSelected, hasFocus, row, column);
            if (table.getModel() instanceof VCellSortTableModel<?>) {
                Object selectedObject = null;
                if (table.getModel() == reactionTableModel) {
                    selectedObject = reactionTableModel.getValueAt(row);
                }
                if (selectedObject != null) {
                    if (selectedObject instanceof ReactionRule && value instanceof ModelProcessEquation) {
                        ReactionRule rr = (ReactionRule) selectedObject;
                        String text = "<html>";
                        for (int i = 0; i < rr.getReactantPatterns().size(); i++) {
                            ReactantPattern rp = rr.getReactantPattern(i);
                            if (rp.getStructure() != null && !rp.getSpeciesPattern().getMolecularTypePatterns().isEmpty()) {
                                text += "@" + rp.getStructure().getName() + ":";
                            }
                            text += RbmUtils.toBnglString(rp.getSpeciesPattern(), null, CompartmentMode.hide, 0);
                            // text += RbmTableRenderer.toHtml(rp.getSpeciesPattern(), isSelected);
                            if (i < rr.getReactantPatterns().size() - 1) {
                                text += "+";
                            }
                        }
                        if (rr.isReversible()) {
                            // &lt;-&gt;  <->
                            text += " &lt;-&gt; ";
                        } else {
                            text += " -&gt; ";
                        }
                        for (int i = 0; i < rr.getProductPatterns().size(); i++) {
                            ProductPattern pp = rr.getProductPattern(i);
                            if (pp.getStructure() != null && !pp.getSpeciesPattern().getMolecularTypePatterns().isEmpty()) {
                                text += "@" + pp.getStructure().getName() + ":";
                            }
                            text += RbmUtils.toBnglString(pp.getSpeciesPattern(), null, CompartmentMode.hide, 0);
                            if (i < rr.getProductPatterns().size() - 1) {
                                text += "+";
                            }
                        }
                        text += "</html>";
                        setText(text);
                    } else {
                        // plain reaction, check if reactants have species pattern
                        ReactionStep rs = (ReactionStep) selectedObject;
                        String text = "<html>";
                        for (int i = 0; i < rs.getNumReactants(); i++) {
                            Reactant p = rs.getReactant(i);
                            if (p.getSpeciesContext().hasSpeciesPattern()) {
                                text += p.getStoichiometry() > 1 ? (p.getStoichiometry() + "") : "";
                                text += p.getName();
                            } else {
                                text += p.getStoichiometry() > 1 ? (p.getStoichiometry() + "") : "";
                                text += p.getName();
                            }
                            if (i < rs.getNumReactants() - 1) {
                                text += " + ";
                            }
                        }
                        if (rs.isReversible()) {
                            // &lt;-&gt;  <->
                            text += " &lt;-&gt; ";
                        } else {
                            text += " -&gt; ";
                        }
                        for (int i = 0; i < rs.getNumProducts(); i++) {
                            Product p = rs.getProduct(i);
                            if (p.getSpeciesContext().hasSpeciesPattern()) {
                                text += p.getStoichiometry() > 1 ? (p.getStoichiometry() + "") : "";
                                text += p.getName();
                            } else {
                                text += p.getStoichiometry() > 1 ? (p.getStoichiometry() + "") : "";
                                text += p.getName();
                            }
                            if (i < rs.getNumProducts() - 1) {
                                text += " + ";
                            }
                        }
                        text += "</html>";
                        setText(text);
                    }
                }
            }
            return this;
        }
    };
    DefaultScrollTableCellRenderer rbmObservablePatternCellRenderer = new DefaultScrollTableCellRenderer() {

        @Override
        public Component getTableCellRendererComponent(JTable table, Object value, boolean isSelected, boolean hasFocus, int row, int column) {
            super.getTableCellRendererComponent(table, value, isSelected, hasFocus, row, column);
            if (table.getModel() instanceof VCellSortTableModel<?>) {
                Object selectedObject = null;
                if (table.getModel() == observableTableModel) {
                    selectedObject = observableTableModel.getValueAt(row);
                }
                if (selectedObject != null) {
                    if (selectedObject instanceof RbmObservable && value instanceof String) {
                        RbmObservable o = (RbmObservable) selectedObject;
                        String text = "<html>";
                        for (int i = 0; i < o.getSpeciesPatternList().size(); i++) {
                            SpeciesPattern sp = o.getSpeciesPattern(i);
                            text += RbmTableRenderer.toHtml(sp, isSelected);
                            if (i < o.getSpeciesPatternList().size() - 1) {
                                text += " ";
                            }
                        }
                        text = RbmUtils.appendSequence(text, o);
                        text += "</html>";
                        setText(text);
                    }
                }
            }
            return this;
        }
    };
    DefaultScrollTableCellRenderer rbmSpeciesNameCellRenderer = new DefaultScrollTableCellRenderer() {

        @Override
        public Component getTableCellRendererComponent(JTable table, Object value, boolean isSelected, boolean hasFocus, int row, int column) {
            super.getTableCellRendererComponent(table, value, isSelected, hasFocus, row, column);
            if (table.getModel() instanceof VCellSortTableModel<?>) {
                Object selectedObject = null;
                if (table.getModel() == speciesTableModel) {
                    selectedObject = speciesTableModel.getValueAt(row);
                }
                if (selectedObject != null) {
                    if (selectedObject instanceof SpeciesContext) {
                        SpeciesContext sc = (SpeciesContext) selectedObject;
                        String text = "<html>";
                        if (sc.hasSpeciesPattern()) {
                            text += "<b>" + sc.getName() + "</b>";
                        } else {
                            text += sc.getName();
                        }
                        text += "</html>";
                        setText(text);
                    }
                }
            }
            return this;
        }
    };
    // 
    // this renderer only paints the molecular type small shape in the MolecularType Table
    // 
    DefaultScrollTableCellRenderer rbmMolecularTypeShapeDepictionCellRenderer = new DefaultScrollTableCellRenderer() {

        MolecularTypeSmallShape stls = null;

        @Override
        public Component getTableCellRendererComponent(JTable table, Object value, boolean isSelected, boolean hasFocus, int row, int column) {
            super.getTableCellRendererComponent(table, value, isSelected, hasFocus, row, column);
            if (table.getModel() instanceof VCellSortTableModel<?>) {
                Object selectedObject = null;
                if (table.getModel() == molecularTypeTableModel) {
                    selectedObject = molecularTypeTableModel.getValueAt(row);
                }
                if (selectedObject != null) {
                    if (selectedObject instanceof MolecularType) {
                        MolecularType mt = (MolecularType) selectedObject;
                        Graphics cellContext = table.getGraphics();
                        if (mt != null) {
                            stls = new MolecularTypeSmallShape(4, 3, mt, null, cellContext, mt, null, issueManager);
                        }
                    }
                } else {
                    stls = null;
                }
            }
            return this;
        }

        @Override
        public void paintComponent(Graphics g) {
            super.paintComponent(g);
            if (stls != null) {
                stls.paintSelf(g);
            }
        }
    };
    // painting of species patterns small shapes inside the species context table
    DefaultScrollTableCellRenderer rbmSpeciesShapeDepictionCellRenderer = new DefaultScrollTableCellRenderer() {

        SpeciesPatternSmallShape spss = null;

        @Override
        public Component getTableCellRendererComponent(JTable table, Object value, boolean isSelected, boolean hasFocus, int row, int column) {
            super.getTableCellRendererComponent(table, value, isSelected, hasFocus, row, column);
            if (table.getModel() instanceof VCellSortTableModel<?>) {
                Object selectedObject = null;
                if (table.getModel() == speciesTableModel) {
                    selectedObject = speciesTableModel.getValueAt(row);
                }
                if (selectedObject != null) {
                    if (selectedObject instanceof SpeciesContext) {
                        SpeciesContext sc = (SpeciesContext) selectedObject;
                        // sp may be null for "plain" species contexts
                        SpeciesPattern sp = sc.getSpeciesPattern();
                        Graphics panelContext = table.getGraphics();
                        spss = new SpeciesPatternSmallShape(4, 2, sp, panelContext, sc, isSelected, issueManager);
                    }
                } else {
                    spss = null;
                }
            }
            setText("");
            return this;
        }

        @Override
        public void paintComponent(Graphics g) {
            super.paintComponent(g);
            if (spss != null) {
                spss.paintSelf(g);
            }
        }
    };
    // ---------------------------------------------------------------------------------------------------------------------------------
    DefaultScrollTableCellRenderer rbmReactionShapeDepictionCellRenderer = new DefaultScrollTableCellRenderer() {

        List<SpeciesPatternSmallShape> spssList = new ArrayList<SpeciesPatternSmallShape>();

        SpeciesPatternSmallShape spss = null;

        @Override
        public Component getTableCellRendererComponent(JTable table, Object value, boolean isSelected, boolean hasFocus, int row, int column) {
            super.getTableCellRendererComponent(table, value, isSelected, hasFocus, row, column);
            if (table.getModel() instanceof VCellSortTableModel<?>) {
                Object selectedObject = null;
                if (table.getModel() == reactionTableModel) {
                    selectedObject = reactionTableModel.getValueAt(row);
                }
                if (selectedObject != null) {
                    if (selectedObject instanceof ReactionRule) {
                        ReactionRule rr = (ReactionRule) selectedObject;
                        Graphics panelContext = table.getGraphics();
                        spssList.clear();
                        List<ReactantPattern> rpList = rr.getReactantPatterns();
                        int xPos = 4;
                        for (int i = 0; i < rpList.size(); i++) {
                            SpeciesPattern sp = rr.getReactantPattern(i).getSpeciesPattern();
                            spss = new SpeciesPatternSmallShape(xPos, 2, sp, null, panelContext, rr, isSelected, issueManager);
                            if (i < rpList.size() - 1) {
                                spss.addEndText("+");
                            } else {
                                if (rr.isReversible()) {
                                    spss.addEndText("<->");
                                    xPos += 7;
                                } else {
                                    spss.addEndText("->");
                                }
                            }
                            xPos += spss.getWidth() + 15;
                            spssList.add(spss);
                        }
                        List<ProductPattern> ppList = rr.getProductPatterns();
                        xPos += 7;
                        for (int i = 0; i < ppList.size(); i++) {
                            SpeciesPattern sp = rr.getProductPattern(i).getSpeciesPattern();
                            spss = new SpeciesPatternSmallShape(xPos, 2, sp, null, panelContext, rr, isSelected, issueManager);
                            if (i < ppList.size() - 1) {
                                spss.addEndText("+");
                            }
                            xPos += spss.getWidth() + 15;
                            spssList.add(spss);
                        }
                    } else {
                        ReactionStep rs = (ReactionStep) selectedObject;
                        Graphics panelContext = table.getGraphics();
                        spssList.clear();
                        int xPos = 4;
                        int extraSpace = 0;
                        for (int i = 0; i < rs.getNumReactants(); i++) {
                            SpeciesPattern sp = rs.getReactant(i).getSpeciesContext().getSpeciesPattern();
                            spss = new SpeciesPatternSmallShape(xPos, 2, sp, panelContext, rs, isSelected, issueManager);
                            if (i < rs.getNumReactants() - 1) {
                                spss.addEndText("+");
                            } else {
                                if (rs.isReversible()) {
                                    spss.addEndText("<->");
                                    extraSpace += 7;
                                } else {
                                    spss.addEndText("->");
                                }
                            }
                            int offset = sp == null ? 17 : 15;
                            offset += extraSpace;
                            int w = spss.getWidth();
                            xPos += w + offset;
                            spssList.add(spss);
                        }
                        xPos += 8;
                        for (int i = 0; i < rs.getNumProducts(); i++) {
                            SpeciesPattern sp = rs.getProduct(i).getSpeciesContext().getSpeciesPattern();
                            if (i == 0 && rs.getNumReactants() == 0) {
                                xPos += 14;
                            }
                            spss = new SpeciesPatternSmallShape(xPos, 2, sp, panelContext, rs, isSelected, issueManager);
                            if (i == 0 && rs.getNumReactants() == 0) {
                                spss.addStartText("->");
                            }
                            if (i < rs.getNumProducts() - 1) {
                                spss.addEndText("+");
                            }
                            int offset = sp == null ? 17 : 15;
                            int w = spss.getWidth();
                            xPos += w + offset;
                            spssList.add(spss);
                        }
                    }
                } else {
                    spssList.clear();
                }
            }
            setText("");
            return this;
        }

        @Override
        public void paintComponent(Graphics g) {
            super.paintComponent(g);
            for (SpeciesPatternSmallShape spss : spssList) {
                if (spss == null) {
                    continue;
                }
                spss.paintSelf(g);
            }
        }
    };
    // -------------------------------------------------------------------------------------------------------------------------------
    DefaultScrollTableCellRenderer rbmObservableShapeDepictionCellRenderer = new DefaultScrollTableCellRenderer() {

        List<SpeciesPatternSmallShape> spssList = new ArrayList<SpeciesPatternSmallShape>();

        SpeciesPatternSmallShape spss = null;

        @Override
        public Component getTableCellRendererComponent(JTable table, Object value, boolean isSelected, boolean hasFocus, int row, int column) {
            super.getTableCellRendererComponent(table, value, isSelected, hasFocus, row, column);
            if (table.getModel() instanceof VCellSortTableModel<?>) {
                Object selectedObject = null;
                if (table.getModel() == observableTableModel) {
                    selectedObject = observableTableModel.getValueAt(row);
                }
                if (selectedObject != null) {
                    if (selectedObject instanceof RbmObservable) {
                        RbmObservable observable = (RbmObservable) selectedObject;
                        Graphics panelContext = table.getGraphics();
                        int xPos = 4;
                        spssList.clear();
                        for (int i = 0; i < observable.getSpeciesPatternList().size(); i++) {
                            SpeciesPattern sp = observable.getSpeciesPatternList().get(i);
                            spss = new SpeciesPatternSmallShape(xPos, 2, sp, panelContext, observable, isSelected, issueManager);
                            xPos += spss.getWidth() + 6;
                            spssList.add(spss);
                        }
                    }
                } else {
                    spssList.clear();
                }
            }
            setText("");
            return this;
        }

        @Override
        public void paintComponent(Graphics g) {
            super.paintComponent(g);
            for (SpeciesPatternSmallShape spss : spssList) {
                if (spss == null) {
                    continue;
                }
                spss.paintSelf(g);
            }
        }
    };
    // TODO: here are the renderers associated with the columns
    reactionsTable.getColumnModel().getColumn(BioModelEditorReactionTableModel.COLUMN_LINK).setCellRenderer(tableCellRenderer);
    reactionsTable.getColumnModel().getColumn(BioModelEditorReactionTableModel.COLUMN_EQUATION).setCellRenderer(rbmReactionExpressionCellRenderer);
    reactionsTable.getColumnModel().getColumn(BioModelEditorReactionTableModel.COLUMN_DEFINITION).setCellRenderer(rbmReactionDefinitionCellRenderer);
    speciesTable.getColumnModel().getColumn(BioModelEditorSpeciesTableModel.COLUMN_NAME).setCellRenderer(rbmSpeciesNameCellRenderer);
    speciesTable.getColumnModel().getColumn(BioModelEditorSpeciesTableModel.COLUMN_LINK).setCellRenderer(tableCellRenderer);
    molecularTypeTable.getColumnModel().getColumn(MolecularTypeTableModel.Column.link.ordinal()).setCellRenderer(tableCellRenderer);
    observablesTable.getColumnModel().getColumn(ObservableTableModel.Column.species_pattern.ordinal()).setCellRenderer(rbmObservablePatternCellRenderer);
    observablesTable.getColumnModel().getColumn(ObservableTableModel.Column.structure.ordinal()).setCellRenderer(tableRenderer);
    // all "depictions" have their own renderer
    molecularTypeTable.getColumnModel().getColumn(MolecularTypeTableModel.Column.depiction.ordinal()).setCellRenderer(rbmMolecularTypeShapeDepictionCellRenderer);
    molecularTypeTable.getColumnModel().getColumn(MolecularTypeTableModel.Column.depiction.ordinal()).setMaxWidth(180);
    speciesTable.getColumnModel().getColumn(BioModelEditorSpeciesTableModel.COLUMN_DEPICTION).setCellRenderer(rbmSpeciesShapeDepictionCellRenderer);
    speciesTable.getColumnModel().getColumn(BioModelEditorSpeciesTableModel.COLUMN_DEFINITION).setCellRenderer(rbmTableRenderer);
    observablesTable.getColumnModel().getColumn(ObservableTableModel.Column.depiction.ordinal()).setCellRenderer(rbmObservableShapeDepictionCellRenderer);
    reactionsTable.getColumnModel().getColumn(BioModelEditorReactionTableModel.COLUMN_DEPICTION).setCellRenderer(rbmReactionShapeDepictionCellRenderer);
    reactionsTable.getColumnModel().getColumn(BioModelEditorReactionTableModel.COLUMN_DEPICTION).setPreferredWidth(180);
    observablesTable.getColumnModel().getColumn(ObservableTableModel.Column.type.ordinal()).setCellEditor(observableTableModel.getObservableTypeComboBoxEditor());
    observableTableModel.updateObservableTypeComboBox();
    reactionsTable.addMouseListener(eventHandler);
    reactionsTable.addKeyListener(eventHandler);
    speciesTable.addMouseListener(eventHandler);
    speciesTable.addKeyListener(eventHandler);
    molecularTypeTable.addMouseListener(eventHandler);
    molecularTypeTable.addKeyListener(eventHandler);
    observablesTable.addMouseListener(eventHandler);
    observablesTable.addKeyListener(eventHandler);
    structuresTable.addKeyListener(eventHandler);
}
Also used : JPanel(javax.swing.JPanel) GridBagConstraints(java.awt.GridBagConstraints) Product(cbit.vcell.model.Product) SpeciesContext(cbit.vcell.model.SpeciesContext) RelationshipObject(org.vcell.relationship.RelationshipObject) Reactant(cbit.vcell.model.Reactant) JTabbedPaneEnhanced(org.vcell.util.gui.JTabbedPaneEnhanced) BorderLayout(java.awt.BorderLayout) ArrayList(java.util.ArrayList) List(java.util.List) JList(javax.swing.JList) EntityImpl(org.vcell.pathway.EntityImpl) RbmObservable(cbit.vcell.model.RbmObservable) BioModelEntityObject(cbit.vcell.model.BioModelEntityObject) Conversion(org.vcell.pathway.Conversion) ReactionCartoonEditorPanel(cbit.vcell.graph.gui.ReactionCartoonEditorPanel) MolecularType(org.vcell.model.rbm.MolecularType) JTable(javax.swing.JTable) ReactionStep(cbit.vcell.model.ReactionStep) RelationshipObject(org.vcell.relationship.RelationshipObject) BioModelEntityObject(cbit.vcell.model.BioModelEntityObject) BioPaxObject(org.vcell.pathway.BioPaxObject) EditorScrollTable(org.vcell.util.gui.EditorScrollTable) Kinetics(cbit.vcell.model.Kinetics) Insets(java.awt.Insets) GridBagLayout(java.awt.GridBagLayout) SpeciesPatternSmallShape(cbit.vcell.graph.SpeciesPatternSmallShape) BioPaxObject(org.vcell.pathway.BioPaxObject) JButton(javax.swing.JButton) JTextField(javax.swing.JTextField) SpeciesPattern(org.vcell.model.rbm.SpeciesPattern) Structure(cbit.vcell.model.Structure) ReactantPattern(cbit.vcell.model.ReactantPattern) ReactionRule(cbit.vcell.model.ReactionRule) ProductPattern(cbit.vcell.model.ProductPattern) JLabel(javax.swing.JLabel) Dimension(java.awt.Dimension) RbmKineticLaw(cbit.vcell.model.RbmKineticLaw) Graphics(java.awt.Graphics) MolecularTypeSmallShape(cbit.vcell.graph.MolecularTypeSmallShape) DownArrowIcon(org.vcell.util.gui.DownArrowIcon) ModelProcessEquation(cbit.gui.ModelProcessEquation) DefaultScrollTableCellRenderer(org.vcell.util.gui.DefaultScrollTableCellRenderer)

Example 29 with Kinetics

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

the class XmlReader method getKinetics.

/**
 * This method returns a Kinetics object from a XML Element based on the value of the kinetics type attribute.
 * Creation date: (3/19/2001 4:42:04 PM)
 * @return cbit.vcell.model.Kinetics
 * @param param org.jdom.Element
 */
private Kinetics getKinetics(Element param, ReactionStep reaction, Model model) throws XmlParseException {
    VariableHash varHash = new VariableHash();
    addResevedSymbols(varHash, model);
    String type = param.getAttributeValue(XMLTags.KineticsTypeAttrTag);
    Kinetics newKinetics = null;
    try {
        if (type.equalsIgnoreCase(XMLTags.KineticsTypeGeneralKinetics)) {
            // create a general kinetics
            newKinetics = new GeneralKinetics(reaction);
        } else if (type.equalsIgnoreCase(XMLTags.KineticsTypeGeneralCurrentKinetics)) {
            // Create GeneralCurrentKinetics
            newKinetics = new GeneralCurrentKinetics(reaction);
        } else if (type.equalsIgnoreCase(XMLTags.KineticsTypeMassAction) && reaction instanceof SimpleReaction) {
            // create a Mass Action kinetics
            newKinetics = new MassActionKinetics((SimpleReaction) reaction);
        } else if (type.equalsIgnoreCase(XMLTags.KineticsTypeNernst) && reaction instanceof FluxReaction) {
            // create NernstKinetics
            newKinetics = new NernstKinetics((FluxReaction) reaction);
        } else if (type.equalsIgnoreCase(XMLTags.KineticsTypeGHK) && reaction instanceof FluxReaction) {
            // create GHKKinetics
            newKinetics = new GHKKinetics((FluxReaction) reaction);
        } else if (type.equalsIgnoreCase(XMLTags.KineticsTypeHMM_Irr) && reaction instanceof SimpleReaction) {
            // create HMM_IrrKinetics
            newKinetics = new HMM_IRRKinetics((SimpleReaction) reaction);
        } else if (type.equalsIgnoreCase(XMLTags.KineticsTypeHMM_Rev) && reaction instanceof SimpleReaction) {
            // create HMM_RevKinetics
            newKinetics = new HMM_REVKinetics((SimpleReaction) reaction);
        } else if (type.equalsIgnoreCase(XMLTags.KineticsTypeGeneralTotal_oldname)) {
            // create GeneralTotalKinetics
            newKinetics = new GeneralLumpedKinetics(reaction);
        } else if (type.equalsIgnoreCase(XMLTags.KineticsTypeGeneralLumped)) {
            // create GeneralLumpedKinetics
            newKinetics = new GeneralLumpedKinetics(reaction);
        } else if (type.equalsIgnoreCase(XMLTags.KineticsTypeGeneralCurrentLumped)) {
            // create GeneralCurrentLumpedKinetics
            newKinetics = new GeneralCurrentLumpedKinetics(reaction);
        } else if (type.equalsIgnoreCase(XMLTags.KineticsTypeGeneralPermeability) && reaction instanceof FluxReaction) {
            // create GeneralPermeabilityKinetics
            newKinetics = new GeneralPermeabilityKinetics((FluxReaction) reaction);
        } else if (type.equalsIgnoreCase(XMLTags.KineticsTypeMacroscopic_Irr) && reaction instanceof SimpleReaction) {
            // create Macroscopic_IRRKinetics
            newKinetics = new Macroscopic_IRRKinetics((SimpleReaction) reaction);
        } else if (type.equalsIgnoreCase(XMLTags.KineticsTypeMicroscopic_Irr) && reaction instanceof SimpleReaction) {
            // create Microscopic_IRRKinetics
            newKinetics = new Microscopic_IRRKinetics((SimpleReaction) reaction);
        } else {
            throw new XmlParseException("Unknown kinetics type: " + type);
        }
    } catch (ExpressionException e) {
        e.printStackTrace();
        throw new XmlParseException("Error creating the kinetics for reaction: " + reaction.getName(), e);
    }
    try {
        // transaction begin flag ... yeah, this is a hack
        newKinetics.reading(true);
        // Read all of the parameters
        List<Element> list = param.getChildren(XMLTags.ParameterTag, vcNamespace);
        // add constants that may be used in kinetics.
        // VariableHash varHash = getVariablesHash();
        ArrayList<String> reserved = new ArrayList<String>();
        ReservedSymbol[] reservedSymbols = reaction.getModel().getReservedSymbols();
        for (ReservedSymbol rs : reservedSymbols) {
            reserved.add(rs.getName());
        }
        try {
            if (reaction.getStructure() instanceof Membrane) {
                Membrane membrane = (Membrane) reaction.getStructure();
                varHash.addVariable(new Constant(membrane.getMembraneVoltage().getName(), new Expression(0.0)));
                reserved.add(membrane.getMembraneVoltage().getName());
            }
            // 
            // add Reactants, Products, and Catalysts (ReactionParticipants)
            // 
            ReactionParticipant[] rp = reaction.getReactionParticipants();
            for (int i = 0; i < rp.length; i++) {
                varHash.addVariable(new Constant(rp[i].getName(), new Expression(0.0)));
            }
        } catch (MathException e) {
            e.printStackTrace(System.out);
            throw new XmlParseException("error reordering parameters according to dependencies: ", e);
        }
        // 
        for (Element xmlParam : list) {
            String paramName = unMangle(xmlParam.getAttributeValue(XMLTags.NameAttrTag));
            String role = xmlParam.getAttributeValue(XMLTags.ParamRoleAttrTag);
            String paramExpStr = xmlParam.getText();
            Expression paramExp = unMangleExpression(paramExpStr);
            try {
                if (varHash.getVariable(paramName) == null) {
                    varHash.addVariable(new Function(paramName, paramExp, null));
                } else {
                    if (reserved.contains(paramName)) {
                        varHash.removeVariable(paramName);
                        varHash.addVariable(new Function(paramName, paramExp, null));
                    }
                }
            } catch (MathException e) {
                e.printStackTrace(System.out);
                throw new XmlParseException("error reordering parameters according to dependencies: ", e);
            }
            Kinetics.KineticsParameter tempParam = null;
            if (!role.equals(XMLTags.ParamRoleUserDefinedTag)) {
                tempParam = newKinetics.getKineticsParameterFromRole(Kinetics.getParamRoleFromDefaultDesc(role));
            } else {
                continue;
            }
            // hack for bringing in General Total kinetics without breaking.
            if (tempParam == null && newKinetics instanceof GeneralLumpedKinetics) {
                if (role.equals(Kinetics.GTK_AssumedCompartmentSize_oldname) || role.equals(Kinetics.GTK_ReactionRate_oldname) || role.equals(Kinetics.GTK_CurrentDensity_oldname)) {
                    continue;
                } else if (role.equals(VCMODL.TotalRate_oldname)) {
                    tempParam = newKinetics.getKineticsParameterFromRole(Kinetics.ROLE_LumpedReactionRate);
                }
            }
            // hack from bringing in chargeValence parameters without breaking
            if (tempParam == null && Kinetics.getParamRoleFromDefaultDesc(role) == Kinetics.ROLE_ChargeValence) {
                tempParam = newKinetics.getChargeValenceParameter();
            }
            if (tempParam == null) {
                throw new XmlParseException("parameter with role '" + role + "' not found in kinetics type '" + type + "'");
            }
            // 
            if (!tempParam.getName().equals(paramName)) {
                Kinetics.KineticsParameter multNameParam = newKinetics.getKineticsParameter(paramName);
                int n = 0;
                while (multNameParam != null) {
                    String tempName = paramName + "_" + n++;
                    newKinetics.renameParameter(paramName, tempName);
                    multNameParam = newKinetics.getKineticsParameter(tempName);
                }
                newKinetics.renameParameter(tempParam.getName(), paramName);
            }
        }
        // 
        // create unresolved parameters for all unresolved symbols
        // 
        String unresolvedSymbol = varHash.getFirstUnresolvedSymbol();
        while (unresolvedSymbol != null) {
            try {
                // will turn into an UnresolvedParameter.
                varHash.addVariable(new Function(unresolvedSymbol, new Expression(0.0), null));
            } catch (MathException e) {
                e.printStackTrace(System.out);
                throw new XmlParseException(e);
            }
            newKinetics.addUnresolvedParameter(unresolvedSymbol);
            unresolvedSymbol = varHash.getFirstUnresolvedSymbol();
        }
        Variable[] sortedVariables = varHash.getTopologicallyReorderedVariables();
        ModelUnitSystem modelUnitSystem = reaction.getModel().getUnitSystem();
        for (int i = sortedVariables.length - 1; i >= 0; i--) {
            if (sortedVariables[i] instanceof Function) {
                Function paramFunction = (Function) sortedVariables[i];
                Element xmlParam = null;
                for (int j = 0; j < list.size(); j++) {
                    Element tempParam = (Element) list.get(j);
                    if (paramFunction.getName().equals(unMangle(tempParam.getAttributeValue(XMLTags.NameAttrTag)))) {
                        xmlParam = tempParam;
                        break;
                    }
                }
                if (xmlParam == null) {
                    // must have been an unresolved parameter
                    continue;
                }
                String symbol = xmlParam.getAttributeValue(XMLTags.VCUnitDefinitionAttrTag);
                VCUnitDefinition unit = null;
                if (symbol != null) {
                    unit = modelUnitSystem.getInstance(symbol);
                }
                Kinetics.KineticsParameter tempParam = newKinetics.getKineticsParameter(paramFunction.getName());
                if (tempParam == null) {
                    newKinetics.addUserDefinedKineticsParameter(paramFunction.getName(), paramFunction.getExpression(), unit);
                } else {
                    newKinetics.setParameterValue(tempParam, paramFunction.getExpression());
                    tempParam.setUnitDefinition(unit);
                }
            }
        }
    } catch (java.beans.PropertyVetoException e) {
        e.printStackTrace(System.out);
        throw new XmlParseException("Exception while setting parameters for Reaction : " + reaction.getName(), e);
    } catch (ExpressionException e) {
        e.printStackTrace(System.out);
        throw new XmlParseException("Exception while settings parameters for Reaction : " + reaction.getName(), e);
    } finally {
        newKinetics.reading(false);
    }
    return newKinetics;
}
Also used : FilamentVariable(cbit.vcell.math.FilamentVariable) OutsideVariable(cbit.vcell.math.OutsideVariable) StochVolVariable(cbit.vcell.math.StochVolVariable) RandomVariable(cbit.vcell.math.RandomVariable) VolumeRandomVariable(cbit.vcell.math.VolumeRandomVariable) VolumeParticleVariable(cbit.vcell.math.VolumeParticleVariable) VolumeRegionVariable(cbit.vcell.math.VolumeRegionVariable) InsideVariable(cbit.vcell.math.InsideVariable) VolVariable(cbit.vcell.math.VolVariable) MembraneRegionVariable(cbit.vcell.math.MembraneRegionVariable) PointVariable(cbit.vcell.math.PointVariable) MembraneRandomVariable(cbit.vcell.math.MembraneRandomVariable) MembraneParticleVariable(cbit.vcell.math.MembraneParticleVariable) ParticleVariable(cbit.vcell.math.ParticleVariable) MemVariable(cbit.vcell.math.MemVariable) FilamentRegionVariable(cbit.vcell.math.FilamentRegionVariable) Variable(cbit.vcell.math.Variable) KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter) VariableHash(cbit.vcell.math.VariableHash) HMM_IRRKinetics(cbit.vcell.model.HMM_IRRKinetics) MacroscopicRateConstant(cbit.vcell.math.MacroscopicRateConstant) Constant(cbit.vcell.math.Constant) Element(org.jdom.Element) ReservedSymbol(cbit.vcell.model.Model.ReservedSymbol) NernstKinetics(cbit.vcell.model.NernstKinetics) ArrayList(java.util.ArrayList) FluxReaction(cbit.vcell.model.FluxReaction) GeneralKinetics(cbit.vcell.model.GeneralKinetics) GeneralLumpedKinetics(cbit.vcell.model.GeneralLumpedKinetics) ExpressionException(cbit.vcell.parser.ExpressionException) PropertyVetoException(java.beans.PropertyVetoException) GeneralCurrentKinetics(cbit.vcell.model.GeneralCurrentKinetics) AnnotatedFunction(cbit.vcell.solver.AnnotatedFunction) Function(cbit.vcell.math.Function) GeneralCurrentLumpedKinetics(cbit.vcell.model.GeneralCurrentLumpedKinetics) Membrane(cbit.vcell.model.Membrane) Macroscopic_IRRKinetics(cbit.vcell.model.Macroscopic_IRRKinetics) GeneralPermeabilityKinetics(cbit.vcell.model.GeneralPermeabilityKinetics) ModelUnitSystem(cbit.vcell.model.ModelUnitSystem) SimpleReaction(cbit.vcell.model.SimpleReaction) GHKKinetics(cbit.vcell.model.GHKKinetics) HMM_REVKinetics(cbit.vcell.model.HMM_REVKinetics) VCUnitDefinition(cbit.vcell.units.VCUnitDefinition) Expression(cbit.vcell.parser.Expression) MathException(cbit.vcell.math.MathException) MassActionKinetics(cbit.vcell.model.MassActionKinetics) Macroscopic_IRRKinetics(cbit.vcell.model.Macroscopic_IRRKinetics) Kinetics(cbit.vcell.model.Kinetics) NernstKinetics(cbit.vcell.model.NernstKinetics) GeneralKinetics(cbit.vcell.model.GeneralKinetics) GeneralLumpedKinetics(cbit.vcell.model.GeneralLumpedKinetics) GeneralPermeabilityKinetics(cbit.vcell.model.GeneralPermeabilityKinetics) GHKKinetics(cbit.vcell.model.GHKKinetics) MassActionKinetics(cbit.vcell.model.MassActionKinetics) Microscopic_IRRKinetics(cbit.vcell.model.Microscopic_IRRKinetics) GeneralCurrentKinetics(cbit.vcell.model.GeneralCurrentKinetics) HMM_REVKinetics(cbit.vcell.model.HMM_REVKinetics) HMM_IRRKinetics(cbit.vcell.model.HMM_IRRKinetics) GeneralCurrentLumpedKinetics(cbit.vcell.model.GeneralCurrentLumpedKinetics) Microscopic_IRRKinetics(cbit.vcell.model.Microscopic_IRRKinetics) ReactionParticipant(cbit.vcell.model.ReactionParticipant)

Example 30 with Kinetics

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

the class ParameterPropertiesPanel method changeExpression.

private void changeExpression() {
    try {
        if (parameter == null) {
            return;
        }
        String text = expressionTextField.getText();
        if (text == null || text.trim().length() == 0) {
            Expression exp = parameter.getDefaultExpression();
            if (exp != null) {
                parameter.setExpression(exp);
            }
            return;
        }
        if (expressionMatchesCurrentValue(text)) {
            return;
        }
        if (parameter instanceof SpeciesContextSpec.SpeciesContextSpecParameter) {
            SpeciesContextSpec.SpeciesContextSpecParameter scsParm = (SpeciesContextSpec.SpeciesContextSpecParameter) parameter;
            scsParm.setExpression(new Expression(text));
        } else if (parameter instanceof KineticsParameter) {
            Expression exp1 = new Expression(text);
            Kinetics kinetics = ((KineticsParameter) parameter).getKinetics();
            kinetics.setParameterValue((Kinetics.KineticsParameter) parameter, exp1);
        } else {
            Expression exp1 = new Expression(text);
            exp1.bindExpression(parameter.getNameScope().getScopedSymbolTable());
            parameter.setExpression(exp1);
        }
    } catch (Exception e) {
        e.printStackTrace(System.out);
        PopupGenerator.showErrorDialog(this, e.getMessage(), e);
    }
}
Also used : KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter) Expression(cbit.vcell.parser.Expression) Kinetics(cbit.vcell.model.Kinetics) SpeciesContextSpec(cbit.vcell.mapping.SpeciesContextSpec) PropertyVetoException(java.beans.PropertyVetoException) ExpressionException(cbit.vcell.parser.ExpressionException)

Aggregations

Kinetics (cbit.vcell.model.Kinetics)31 KineticsParameter (cbit.vcell.model.Kinetics.KineticsParameter)21 ReactionStep (cbit.vcell.model.ReactionStep)17 Expression (cbit.vcell.parser.Expression)16 ModelParameter (cbit.vcell.model.Model.ModelParameter)11 ExpressionException (cbit.vcell.parser.ExpressionException)11 ReactionParticipant (cbit.vcell.model.ReactionParticipant)10 SpeciesContext (cbit.vcell.model.SpeciesContext)10 MassActionKinetics (cbit.vcell.model.MassActionKinetics)9 ModelUnitSystem (cbit.vcell.model.ModelUnitSystem)9 SimpleReaction (cbit.vcell.model.SimpleReaction)9 PropertyVetoException (java.beans.PropertyVetoException)9 LumpedKinetics (cbit.vcell.model.LumpedKinetics)8 VCUnitDefinition (cbit.vcell.units.VCUnitDefinition)8 Model (cbit.vcell.model.Model)7 Parameter (cbit.vcell.model.Parameter)7 Product (cbit.vcell.model.Product)7 Reactant (cbit.vcell.model.Reactant)7 FluxReaction (cbit.vcell.model.FluxReaction)6 StructureMapping (cbit.vcell.mapping.StructureMapping)5