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

Example 56 with Simulation

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

the class XmlHelper method exportSBML.

/**
 * Exports VCML format to another supported format (currently: SBML or CellML). It allows
 *   choosing a specific Simulation Spec to export.
 * Creation date: (4/8/2003 12:30:27 PM)
 * @return java.lang.String
 */
public static String exportSBML(VCDocument vcDoc, int level, int version, int pkgVersion, boolean isSpatial, SimulationContext simContext, SimulationJob simJob) throws XmlParseException {
    if (vcDoc == null) {
        throw new XmlParseException("Invalid arguments for exporting SBML.");
    }
    if (vcDoc instanceof BioModel) {
        try {
            // check if model to be exported to SBML has units compatible with SBML default units (default units in SBML can be assumed only until SBML Level2)
            ModelUnitSystem forcedModelUnitSystem = simContext.getModel().getUnitSystem();
            if (level < 3 && !ModelUnitSystem.isCompatibleWithDefaultSBMLLevel2Units(forcedModelUnitSystem)) {
                forcedModelUnitSystem = ModelUnitSystem.createDefaultSBMLLevel2Units();
            }
            // create new Biomodel with new (SBML compatible)  unit system
            BioModel modifiedBiomodel = ModelUnitConverter.createBioModelWithNewUnitSystem(simContext.getBioModel(), forcedModelUnitSystem);
            // extract the simContext from new Biomodel. Apply overrides to *this* modified simContext
            SimulationContext simContextFromModifiedBioModel = modifiedBiomodel.getSimulationContext(simContext.getName());
            SimulationContext clonedSimContext = applyOverridesForSBML(modifiedBiomodel, simContextFromModifiedBioModel, simJob);
            // extract sim (in simJob) from modified Biomodel, if not null
            SimulationJob modifiedSimJob = null;
            if (simJob != null) {
                Simulation simFromModifiedBiomodel = clonedSimContext.getSimulation(simJob.getSimulation().getName());
                modifiedSimJob = new SimulationJob(simFromModifiedBiomodel, simJob.getJobIndex(), null);
            }
            SBMLExporter sbmlExporter = new SBMLExporter(modifiedBiomodel, level, version, isSpatial);
            sbmlExporter.setSelectedSimContext(simContextFromModifiedBioModel);
            sbmlExporter.setSelectedSimulationJob(modifiedSimJob);
            return sbmlExporter.getSBMLFile();
        } catch (ExpressionException | SbmlException | SBMLException | XMLStreamException e) {
            e.printStackTrace(System.out);
            throw new XmlParseException(e);
        }
    } else if (vcDoc instanceof MathModel) {
        try {
            return MathModel_SBMLExporter.getSBMLString((MathModel) vcDoc, level, version);
        } catch (ExpressionException | IOException | SBMLException | XMLStreamException e) {
            e.printStackTrace(System.out);
            throw new XmlParseException(e);
        }
    } else {
        throw new RuntimeException("unsupported Document Type " + vcDoc.getClass().getName() + " for SBML export");
    }
}

Example 57 with Simulation

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

the class NetCDFWriter method initialize.

/**
 * Extract infomation from simulation to write hybrid input file.
 * Validate the information. If it is valid, a true value will be return.
 * The function will be called by writeHybridInputFile().
 * Creation date: (5/22/2007 3:59:34 PM)
 * @return boolean
 */
public boolean initialize() throws Exception {
    Simulation simulation = simTask.getSimulation();
    // check variables
    if (!simulation.getMathDescription().getVariables().hasMoreElements()) {
        throw new MathException("Stochastic model has no variable.");
    }
    // check subDomain
    SubDomain subDomain = null;
    Enumeration<SubDomain> e = simulation.getMathDescription().getSubDomains();
    if (e.hasMoreElements()) {
        subDomain = e.nextElement();
    } else
        throw new MathException("There is no sub domain.");
    // check jump processes
    if (subDomain.getJumpProcesses().size() < 1) {
        throw new MathException("Stochastic model has no jump process.");
    }
    return true;
}

Example 58 with Simulation

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

the class NetCDFWriter method getVariableSymbols.

private String[] getVariableSymbols(String[] symbols) {
    Simulation simulation = simTask.getSimulation();
    Vector<String> vars = new Vector<String>();
    if (symbols != null) {
        for (int i = 0; i < symbols.length; i++) {
            Variable v = simulation.getMathDescription().getVariable(symbols[i]);
            if ((v != null) && (v instanceof StochVolVariable)) {
                vars.add(symbols[i]);
            }
        }
        return vars.toArray(new String[vars.size()]);
    } else
        return vars.toArray(new String[0]);
}

Example 59 with Simulation

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

the class StochFileWriter method initialize.

/**
 * Get infomation for stochasic input file.
 * Validate the information. If it is valid, a true value will be return.
 * The function will be called by writeStochInputFile().
 * Creation date: (6/23/2006 3:59:34 PM)
 * @return boolean
 */
public void initialize() throws Exception {
    Simulation simulation = simTask.getSimulation();
    // check variables
    if (!simulation.getMathDescription().getVariables().hasMoreElements()) {
        throw new MathException("Stochastic model has no variable.");
    }
    // check subDomain
    SubDomain subDomain = null;
    Enumeration<SubDomain> e = simulation.getMathDescription().getSubDomains();
    if (e.hasMoreElements()) {
        subDomain = e.nextElement();
    } else
        throw new MathException("There is no sub domain.");
    // check jump processes
    if (subDomain.getJumpProcesses().size() < 1) {
        throw new MathException("Stochastic model has no jump process.");
    }
}

Example 60 with Simulation

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

the class StochFileWriter method write.

/**
 * Write the model to a text file which serves as an input for Stochastic simulation engine.
 * Creation date: (6/22/2006 5:37:26 PM)
 */
public void write(String[] parameterNames) throws Exception, ExpressionException {
    Simulation simulation = simTask.getSimulation();
    SimulationSymbolTable simSymbolTable = simTask.getSimulationJob().getSimulationSymbolTable();
    initialize();
    if (bUseMessaging) {
        writeJMSParamters();
    }
    // Write control information
    printWriter.println("<control>");
    cbit.vcell.solver.SolverTaskDescription solverTaskDescription = simulation.getSolverTaskDescription();
    cbit.vcell.solver.TimeBounds timeBounds = solverTaskDescription.getTimeBounds();
    cbit.vcell.solver.OutputTimeSpec outputTimeSpec = solverTaskDescription.getOutputTimeSpec();
    ErrorTolerance errorTolerance = solverTaskDescription.getErrorTolerance();
    NonspatialStochSimOptions stochOpt = solverTaskDescription.getStochOpt();
    printWriter.println("STARTING_TIME" + "\t" + timeBounds.getStartingTime());
    printWriter.println("ENDING_TIME " + "\t" + timeBounds.getEndingTime());
    // pw.println("MAX_ITERATION"+"\t"+outputTimeSpec.getKeepAtMost());
    printWriter.println("TOLERANCE " + "\t" + errorTolerance.getAbsoluteErrorTolerance());
    if (outputTimeSpec.isDefault()) {
        printWriter.println("SAMPLE_INTERVAL" + "\t" + ((DefaultOutputTimeSpec) outputTimeSpec).getKeepEvery());
        printWriter.println("MAX_SAVE_POINTS" + "\t" + ((DefaultOutputTimeSpec) outputTimeSpec).getKeepAtMost());
    } else if (outputTimeSpec.isUniform()) {
        printWriter.println("SAVE_PERIOD" + "\t" + ((UniformOutputTimeSpec) outputTimeSpec).getOutputTimeStep());
    }
    printWriter.println("NUM_TRIAL" + "\t" + solverTaskDescription.getStochOpt().getNumOfTrials());
    if (stochOpt.isUseCustomSeed()) {
        printWriter.println("SEED" + "\t" + stochOpt.getCustomSeed());
    } else {
        // we generate our own random seed
        RandomDataGenerator rdg = new RandomDataGenerator();
        int randomSeed = rdg.nextInt(1, Integer.MAX_VALUE);
        printWriter.println("SEED" + "\t" + randomSeed);
    }
    printWriter.println("</control>");
    printWriter.println();
    // write model information
    // Model info. will be extracted from subDomain of mathDescription
    Enumeration<SubDomain> e = simulation.getMathDescription().getSubDomains();
    SubDomain subDomain = null;
    if (e.hasMoreElements()) {
        subDomain = e.nextElement();
    }
    if (subDomain != null) {
        printWriter.println("<model>");
        // variables
        printWriter.println("<discreteVariables>");
        // Species iniCondition (if in concentration) is sampled from a poisson distribution(which has a mean of the current iniExp value)
        // There is only one subDomain for compartmental model
        List<VarIniCondition> varInis = subDomain.getVarIniConditions();
        if ((varInis != null) && (varInis.size() > 0)) {
            RandomDataGenerator dist = new RandomDataGenerator();
            if (simulation.getSolverTaskDescription().getStochOpt().isUseCustomSeed()) {
                Integer randomSeed = simulation.getSolverTaskDescription().getStochOpt().getCustomSeed();
                if (randomSeed != null) {
                    dist.reSeed(randomSeed);
                }
            }
            printWriter.println("TotalVars" + "\t" + varInis.size());
            for (VarIniCondition varIniCondition : varInis) {
                try {
                    Expression iniExp = varIniCondition.getIniVal();
                    iniExp.bindExpression(simSymbolTable);
                    iniExp = simSymbolTable.substituteFunctions(iniExp).flatten();
                    double expectedCount = iniExp.evaluateConstant();
                    // 1000 mill
                    final Integer limit = 1000000000;
                    if (limit < expectedCount) {
                        String eMessage = "The Initial count for Species '" + varIniCondition.getVar().getName() + "' is " + BigDecimal.valueOf(expectedCount).toBigInteger() + "\n";
                        eMessage += "which is higher than the internal vCell limit of " + limit + ".\n";
                        eMessage += "Please reduce the Initial Condition value for this Species or reduce the compartment size.";
                        throw new MathFormatException(eMessage);
                    }
                    long varCount = 0;
                    if (varIniCondition instanceof VarIniCount) {
                        varCount = (long) expectedCount;
                    } else {
                        if (expectedCount > 0) {
                            varCount = dist.nextPoisson(expectedCount);
                        }
                    }
                    // System.out.println("expectedCount: " + expectedCount + ", varCount: " + varCount);
                    printWriter.println(varIniCondition.getVar().getName() + "\t" + varCount);
                } catch (ExpressionException ex) {
                    ex.printStackTrace();
                    throw new MathFormatException("variable " + varIniCondition.getVar().getName() + "'s initial condition is required to be a constant.");
                }
            }
        } else
            printWriter.println("TotalVars" + "\t" + "0");
        printWriter.println("</discreteVariables>");
        printWriter.println();
        // jump processes
        printWriter.println("<jumpProcesses>");
        List<JumpProcess> jumpProcesses = subDomain.getJumpProcesses();
        if ((jumpProcesses != null) && (jumpProcesses.size() > 0)) {
            printWriter.println("TotalProcesses" + "\t" + jumpProcesses.size());
            for (int i = 0; i < jumpProcesses.size(); i++) {
                printWriter.println(jumpProcesses.get(i).getName());
            }
        } else
            printWriter.println("TotalProcesses" + "\t" + "0");
        printWriter.println("</jumpProcesses>");
        printWriter.println();
        // process description
        printWriter.println("<processDesc>");
        if ((jumpProcesses != null) && (jumpProcesses.size() > 0)) {
            printWriter.println("TotalDescriptions" + "\t" + jumpProcesses.size());
            for (int i = 0; i < jumpProcesses.size(); i++) {
                JumpProcess temProc = (JumpProcess) jumpProcesses.get(i);
                // jump process name
                printWriter.println("JumpProcess" + "\t" + temProc.getName());
                Expression probExp = temProc.getProbabilityRate();
                try {
                    probExp.bindExpression(simSymbolTable);
                    probExp = simSymbolTable.substituteFunctions(probExp).flatten();
                    if (!isValidProbabilityExpression(probExp)) {
                        throw new MathFormatException("probability rate in jump process " + temProc.getName() + " has illegal symbols(should only contain variable names).");
                    }
                } catch (cbit.vcell.parser.ExpressionException ex) {
                    ex.printStackTrace();
                    throw new cbit.vcell.parser.ExpressionException("Binding math description error in probability rate in jump process " + temProc.getName() + ". Some symbols can not be resolved.");
                }
                // Expression temp = replaceVarIniInProbability(probExp);
                // Propensity
                printWriter.println("\t" + "Propensity" + "\t" + probExp.infix());
                // effects
                printWriter.println("\t" + "Effect" + "\t" + temProc.getActions().size());
                for (int j = 0; j < temProc.getActions().size(); j++) {
                    printWriter.print("\t\t" + ((Action) temProc.getActions().get(j)).getVar().getName() + "\t" + ((Action) temProc.getActions().get(j)).getOperation());
                    printWriter.println("\t" + ((Action) temProc.getActions().get(j)).evaluateOperand());
                    printWriter.println();
                }
                // dependencies
                Vector<String> dependencies = getDependencies(temProc, jumpProcesses);
                if ((dependencies != null) && (dependencies.size() > 0)) {
                    printWriter.println("\t" + "DependentProcesses" + "\t" + dependencies.size());
                    for (int j = 0; j < dependencies.size(); j++) printWriter.println("\t\t" + dependencies.elementAt(j));
                } else
                    printWriter.println("\t" + "DependentProcesses" + "\t" + "0");
                printWriter.println();
            }
        } else
            printWriter.println("TotalDescriptions" + "\t" + "0");
        printWriter.println("</processDesc>");
        printWriter.println("</model>");
    }
// if (subDomain != null)
}