Examples with MathOverrides cbit.vcell.solver.MathOverrides used on opensource projects

Example 6 with MathOverrides

use of cbit.vcell.solver.MathOverrides in project vcell by virtualcell.

the class ITextWriter method writeSimulation.

// container can be a chapter or a section of a chapter.
protected void writeSimulation(Section container, Simulation sim) throws DocumentException {
    if (sim == null) {
        return;
    }
    Section simSection = container.addSection(sim.getName(), container.numberDepth() + 1);
    writeMetadata(simSection, sim.getName(), sim.getDescription(), null, "Simulation ");
    // add overriden params
    Table overParamTable = null;
    MathOverrides mo = sim.getMathOverrides();
    if (mo != null) {
        String[] constants = mo.getOverridenConstantNames();
        for (int i = 0; i < constants.length; i++) {
            String actualStr = "", defStr = "";
            Expression tempExp = mo.getDefaultExpression(constants[i]);
            if (tempExp != null) {
                defStr = tempExp.infix();
            }
            if (mo.isScan(constants[i])) {
                actualStr = mo.getConstantArraySpec(constants[i]).toString();
            } else {
                tempExp = mo.getActualExpression(constants[i], 0);
                if (tempExp != null) {
                    actualStr = tempExp.infix();
                }
            }
            if (overParamTable == null) {
                overParamTable = getTable(3, 75, 1, 3, 3);
                overParamTable.setAlignment(Table.ALIGN_LEFT);
                overParamTable.addCell(createCell("Overriden Parameters", getBold(DEF_HEADER_FONT_SIZE), 3, 1, Element.ALIGN_CENTER, true));
                overParamTable.addCell(createHeaderCell("Name", getBold(), 1));
                overParamTable.addCell(createHeaderCell("Actual Value", getBold(), 1));
                overParamTable.addCell(createHeaderCell("Default Value", getBold(), 1));
            }
            overParamTable.addCell(createCell(constants[i], getFont()));
            overParamTable.addCell(createCell(actualStr, getFont()));
            overParamTable.addCell(createCell(defStr, getFont()));
        }
    }
    if (overParamTable != null) {
        simSection.add(overParamTable);
    }
    // add spatial details
    // sim.isSpatial();
    Table meshTable = null;
    MeshSpecification mesh = sim.getMeshSpecification();
    if (mesh != null) {
        Geometry geom = mesh.getGeometry();
        Extent extent = geom.getExtent();
        String extentStr = "(" + extent.getX() + ", " + extent.getY() + ", " + extent.getZ() + ")";
        ISize meshSize = mesh.getSamplingSize();
        String meshSizeStr = "(" + meshSize.getX() + ", " + meshSize.getY() + ", " + meshSize.getZ() + ")";
        meshTable = getTable(2, 75, 1, 3, 3);
        meshTable.setAlignment(Table.ALIGN_LEFT);
        meshTable.addCell(createCell("Geometry Setting", getBold(DEF_HEADER_FONT_SIZE), 2, 1, Element.ALIGN_CENTER, true));
        meshTable.addCell(createCell("Geometry Size (um)", getFont()));
        meshTable.addCell(createCell(extentStr, getFont()));
        meshTable.addCell(createCell("Mesh Size (elements)", getFont()));
        meshTable.addCell(createCell(meshSizeStr, getFont()));
    }
    if (meshTable != null) {
        simSection.add(meshTable);
    }
    // write advanced sim settings
    Table simAdvTable = null;
    SolverTaskDescription solverDesc = sim.getSolverTaskDescription();
    if (solverDesc != null) {
        String solverName = solverDesc.getSolverDescription().getDisplayLabel();
        simAdvTable = getTable(2, 75, 1, 3, 3);
        simAdvTable.setAlignment(Table.ALIGN_LEFT);
        simAdvTable.addCell(createCell("Advanced Settings", getBold(DEF_HEADER_FONT_SIZE), 2, 1, Element.ALIGN_CENTER, true));
        simAdvTable.addCell(createCell("Solver Name", getFont()));
        simAdvTable.addCell(createCell(solverName, getFont()));
        simAdvTable.addCell(createCell("Time Bounds - Starting", getFont()));
        simAdvTable.addCell(createCell("" + solverDesc.getTimeBounds().getStartingTime(), getFont()));
        simAdvTable.addCell(createCell("Time Bounds - Ending", getFont()));
        simAdvTable.addCell(createCell("" + solverDesc.getTimeBounds().getEndingTime(), getFont()));
        simAdvTable.addCell(createCell("Time Step - Min", getFont()));
        simAdvTable.addCell(createCell("" + solverDesc.getTimeStep().getMinimumTimeStep(), getFont()));
        simAdvTable.addCell(createCell("Time Step - Default", getFont()));
        simAdvTable.addCell(createCell("" + solverDesc.getTimeStep().getDefaultTimeStep(), getFont()));
        simAdvTable.addCell(createCell("Time Step - Max", getFont()));
        simAdvTable.addCell(createCell("" + solverDesc.getTimeStep().getMaximumTimeStep(), getFont()));
        ErrorTolerance et = solverDesc.getErrorTolerance();
        if (et != null) {
            simAdvTable.addCell(createCell("Error Tolerance - Absolute", getFont()));
            simAdvTable.addCell(createCell("" + et.getAbsoluteErrorTolerance(), getFont()));
            simAdvTable.addCell(createCell("Error Tolerance - Relative", getFont()));
            simAdvTable.addCell(createCell("" + et.getRelativeErrorTolerance(), getFont()));
        }
        OutputTimeSpec ots = solverDesc.getOutputTimeSpec();
        if (ots.isDefault()) {
            simAdvTable.addCell(createCell("Keep Every", getFont()));
            simAdvTable.addCell(createCell("" + ((DefaultOutputTimeSpec) ots).getKeepEvery(), getFont()));
            simAdvTable.addCell(createCell("Keep At Most", getFont()));
            simAdvTable.addCell(createCell("" + ((DefaultOutputTimeSpec) ots).getKeepAtMost(), getFont()));
        } else if (ots.isUniform()) {
            simAdvTable.addCell(createCell("Output Time Step", getFont()));
            simAdvTable.addCell(createCell("" + ((UniformOutputTimeSpec) ots).getOutputTimeStep(), getFont()));
        } else if (ots.isExplicit()) {
            simAdvTable.addCell(createCell("Output Time Points", getFont()));
            simAdvTable.addCell(createCell("" + ((ExplicitOutputTimeSpec) ots).toCommaSeperatedOneLineOfString(), getFont()));
        }
        simAdvTable.addCell(createCell("Use Symbolic Jacobian (T/F)", getFont()));
        simAdvTable.addCell(createCell((solverDesc.getUseSymbolicJacobian() ? " T " : " F "), getFont()));
        Constant sp = solverDesc.getSensitivityParameter();
        if (sp != null) {
            simAdvTable.addCell(createCell("Sensitivity Analysis Param", getFont()));
            simAdvTable.addCell(createCell(sp.getName(), getFont()));
        }
    }
    if (simAdvTable != null) {
        simSection.add(simAdvTable);
    }
}

Example 7 with MathOverrides

use of cbit.vcell.solver.MathOverrides in project vcell by virtualcell.

the class XmlHelper method applyOverridesForSBML.

/**
 * applyOverrides: private method to apply overrides from the simulation in 'simJob' to simContext, if any.
 * 				Start off by cloning biomodel, since all the references are required in cloned simContext and is
 * 				best retained by cloning biomodel.
 * @param bm - biomodel to be cloned
 * @param sc - simulationContext to be cloned and overridden using math overrides in simulation
 * @param simJob - simulationJob from where simulation with overrides is obtained.
 * @return
 */
public static SimulationContext applyOverridesForSBML(BioModel bm, SimulationContext sc, SimulationJob simJob) {
    SimulationContext overriddenSimContext = sc;
    if (simJob != null) {
        Simulation sim = simJob.getSimulation();
        // need to clone Biomodel, simContext, etc. only if simulation has override(s)
        try {
            if (sim != null && sim.getMathOverrides().hasOverrides()) {
                // BioModel clonedBM = (BioModel)BeanUtils.cloneSerializable(bm);
                BioModel clonedBM = XMLToBioModel(new XMLSource(bioModelToXML(bm)));
                clonedBM.refreshDependencies();
                // get the simContext in cloned Biomodel that corresponds to 'sc'
                SimulationContext[] simContexts = clonedBM.getSimulationContexts();
                for (int i = 0; i < simContexts.length; i++) {
                    if (simContexts[i].getName().equals(sc.getName())) {
                        overriddenSimContext = simContexts[i];
                        break;
                    }
                }
                // 
                overriddenSimContext.getModel().refreshDependencies();
                overriddenSimContext.refreshDependencies();
                MathMapping mathMapping = overriddenSimContext.createNewMathMapping();
                MathSymbolMapping msm = mathMapping.getMathSymbolMapping();
                MathOverrides mathOverrides = sim.getMathOverrides();
                String[] moConstNames = mathOverrides.getOverridenConstantNames();
                for (int i = 0; i < moConstNames.length; i++) {
                    cbit.vcell.math.Constant overriddenConstant = mathOverrides.getConstant(moConstNames[i]);
                    // Expression overriddenExpr = mathOverrides.getActualExpression(moConstNames[i], 0);
                    Expression overriddenExpr = mathOverrides.getActualExpression(moConstNames[i], simJob.getJobIndex());
                    // The above constant (from mathoverride) is not the same instance as the one in the MathSymbolMapping hash.
                    // Hence retreive the correct instance from mathSymbolMapping (mathMapping -> mathDescription) and use it to
                    // retrieve its value (symbolTableEntry) from hash.
                    cbit.vcell.math.Variable overriddenVar = msm.findVariableByName(overriddenConstant.getName());
                    cbit.vcell.parser.SymbolTableEntry[] stes = msm.getBiologicalSymbol(overriddenVar);
                    if (stes == null) {
                        throw new NullPointerException("No matching biological symbol for : " + overriddenConstant.getName());
                    }
                    if (stes.length > 1) {
                        throw new RuntimeException("Cannot have more than one mapping entry for constant : " + overriddenConstant.getName());
                    }
                    if (stes[0] instanceof Parameter) {
                        Parameter param = (Parameter) stes[0];
                        if (param.isExpressionEditable()) {
                            if (param instanceof Kinetics.KineticsParameter) {
                                // Kinetics param has to be set separately for the integrity of the kinetics object
                                Kinetics.KineticsParameter kinParam = (Kinetics.KineticsParameter) param;
                                ReactionStep[] rs = overriddenSimContext.getModel().getReactionSteps();
                                for (int j = 0; j < rs.length; j++) {
                                    if (rs[j].getNameScope().getName().equals(kinParam.getNameScope().getName())) {
                                        rs[j].getKinetics().setParameterValue(kinParam, overriddenExpr);
                                    }
                                }
                            } else if (param instanceof cbit.vcell.model.ExpressionContainer) {
                                // If it is any other editable param, set its expression with the
                                ((cbit.vcell.model.ExpressionContainer) param).setExpression(overriddenExpr);
                            }
                        }
                    }
                // end - if (stes[0] is Parameter)
                }
            // end  - for moConstNames
            }
        // end if (sim has MathOverrides)
        } catch (Exception e) {
            e.printStackTrace(System.out);
            throw new RuntimeException("Could not apply overrides from simulation to application parameters : " + e.getMessage());
        }
    }
    // end if (simJob != null)
    return overriddenSimContext;
}

Example 8 with MathOverrides

use of cbit.vcell.solver.MathOverrides in project vcell by virtualcell.

the class SimulationWorkspace method applyChanges.

/**
 * Insert the method's description here.
 * Creation date: (5/11/2004 3:52:25 PM)
 */
private static String applyChanges(Simulation clonedSimulation, Simulation simulation) {
    // we cannot simply replace the simulation with the clone because of two reasons:
    // major - vetoable listeners are transient, thus not preserved during serialization/deserialization
    // minor - proper refreshing the simulation list would require delete/reinsert which would make it non-trivial to avoid reordering
    String errors = "";
    try {
        simulation.setName(clonedSimulation.getName());
    } catch (java.beans.PropertyVetoException exc) {
        errors += "\n" + exc.getMessage();
    }
    try {
        simulation.setDescription(clonedSimulation.getDescription());
    } catch (java.beans.PropertyVetoException exc) {
        errors += "\n" + exc.getMessage();
    }
    simulation.setMathOverrides(new MathOverrides(simulation, clonedSimulation.getMathOverrides()));
    try {
        simulation.setMeshSpecification(clonedSimulation.getMeshSpecification());
    } catch (java.beans.PropertyVetoException exc) {
        errors += "\n" + exc.getMessage();
    }
    try {
        simulation.setSolverTaskDescription(new SolverTaskDescription(simulation, clonedSimulation.getSolverTaskDescription()));
    } catch (java.beans.PropertyVetoException exc) {
        errors += "\n" + exc.getMessage();
    }
    simulation.setDataProcessingInstructions(clonedSimulation.getDataProcessingInstructions());
    simulation.setIsDirty(true);
    return errors;
}

Example 9 with MathOverrides

use of cbit.vcell.solver.MathOverrides in project vcell by virtualcell.

the class RestDatabaseService method saveSimulation.

public SimulationSaveResponse saveSimulation(BiomodelSimulationSaveServerResource resource, User vcellUser, List<OverrideRepresentation> overrideRepresentations) throws PermissionException, ObjectNotFoundException, DataAccessException, SQLException, XmlParseException, PropertyVetoException, MappingException, ExpressionException {
    String simId = resource.getAttribute(VCellApiApplication.SIMULATIONID);
    KeyValue simKey = new KeyValue(simId);
    SimulationRep simRep = getSimulationRep(simKey);
    if (simRep == null) {
        throw new ObjectNotFoundException("Simulation with key " + simKey + " not found");
    }
    boolean myModel = simRep.getOwner().compareEqual(vcellUser);
    // get the bioModel
    String biomodelId = resource.getAttribute(VCellApiApplication.BIOMODELID);
    KeyValue biomodelKey = new KeyValue(biomodelId);
    BigString bioModelXML = this.databaseServerImpl.getBioModelXML(vcellUser, biomodelKey);
    BioModel bioModel = XmlHelper.XMLToBioModel(new XMLSource(bioModelXML.toString()));
    // copy the simulation as new
    Simulation origSimulation = null;
    for (Simulation sim : bioModel.getSimulations()) {
        if (sim.getKey().equals(simKey)) {
            origSimulation = sim;
        }
    }
    if (origSimulation == null) {
        throw new RuntimeException("cannot find original Simulation");
    }
    SimulationContext simContext = bioModel.getSimulationContext(origSimulation);
    Simulation newUnsavedSimulation = simContext.copySimulation(origSimulation);
    // make appropriate changes
    // MATH OVERRIDES
    MathOverrides mathOverrides = new MathOverrides(newUnsavedSimulation);
    for (OverrideRepresentation overrideRep : overrideRepresentations) {
        overrideRep.applyMathOverrides(mathOverrides);
    }
    newUnsavedSimulation.setMathOverrides(mathOverrides);
    // save bioModel
    String editedBioModelXML = XmlHelper.bioModelToXML(bioModel);
    ServerDocumentManager serverDocumentManager = new ServerDocumentManager(this.databaseServerImpl);
    String modelName = bioModel.getName();
    if (!myModel) {
        modelName = modelName + "_" + Math.abs(new Random().nextInt());
    }
    String newBioModelXML = serverDocumentManager.saveBioModel(new QueryHashtable(), vcellUser, editedBioModelXML, modelName, null);
    BioModel savedBioModel = XmlHelper.XMLToBioModel(new XMLSource(newBioModelXML));
    Simulation savedSimulation = null;
    for (Simulation sim : savedBioModel.getSimulations()) {
        if (sim.getName().equals(newUnsavedSimulation.getName())) {
            savedSimulation = sim;
        }
    }
    if (savedSimulation == null) {
        throw new RuntimeException("cannot find new Simulation");
    }
    return new SimulationSaveResponse(savedBioModel, savedSimulation);
}

Example 10 with MathOverrides

use of cbit.vcell.solver.MathOverrides in project vcell by virtualcell.

the class MathOverridesPanel method initialize.

/**
 * Initialize the class.
 */
/* WARNING: THIS METHOD WILL BE REGENERATED. */
private void initialize() {
    try {
        // user code begin {1}
        // user code end
        setName("MathOverridesPanel");
        setLayout(new GridBagLayout());
        setSize(404, 262);
        GridBagConstraints gridBagConstraints = new GridBagConstraints();
        gridBagConstraints.fill = GridBagConstraints.BOTH;
        gridBagConstraints.gridx = 0;
        gridBagConstraints.gridy = 0;
        gridBagConstraints.weightx = 1.0;
        add(getJLabelTitle(), gridBagConstraints);
        gridBagConstraints = new GridBagConstraints();
        gridBagConstraints.fill = GridBagConstraints.BOTH;
        gridBagConstraints.gridx = 0;
        gridBagConstraints.gridy = 1;
        gridBagConstraints.weightx = 1.0;
        gridBagConstraints.weighty = 1.0;
        add(getJTableFixed().getEnclosingScrollPane(), gridBagConstraints);
        gridBagConstraints = new GridBagConstraints();
        gridBagConstraints.fill = GridBagConstraints.NONE;
        gridBagConstraints.gridx = 0;
        gridBagConstraints.gridy = 2;
        removeUnusedButton = new JButton();
        removeUnusedButton.setForeground(Color.red);
        removeUnusedButton.setText("remove unused parameter overrides");
        removeUnusedButton.addActionListener(new ActionListener() {

            @Override
            public void actionPerformed(ActionEvent e) {
                MathOverrides mathOverrides = getMathOverrides();
                if (mathOverrides != null) {
                    mathOverrides.removeUnusedOverrides();
                    removeUnusedButton.setVisible(false);
                }
            }
        });
        add(removeUnusedButton, gridBagConstraints);
        initConnections();
        connEtoM1();
        connEtoC2();
    } catch (java.lang.Throwable ivjExc) {
        handleException(ivjExc);
    }
// user code begin {2}
// user code end
}