Examples with SmoldynFileWriter org.vcell.solver.smoldyn.SmoldynFileWriter used on opensource projects

Example 1 with SmoldynFileWriter

use of org.vcell.solver.smoldyn.SmoldynFileWriter in project vcell by virtualcell.

the class ClientSimManager method runSmoldynParticleView.

public void runSmoldynParticleView(final Simulation originalSimulation) {
    SimulationOwner simulationOwner = simWorkspace.getSimulationOwner();
    Collection<AsynchClientTask> tasks;
    if (simulationOwner instanceof SimulationContext) {
        tasks = ClientRequestManager.updateMath(documentWindowManager.getComponent(), (SimulationContext) simulationOwner, false, NetworkGenerationRequirements.ComputeFullStandardTimeout);
    } else {
        tasks = new ArrayList<>();
    }
    AsynchClientTask pv = new AsynchClientTask("starting particle view", AsynchClientTask.TASKTYPE_NONSWING_BLOCKING) {

        @Override
        public void run(Hashtable<String, Object> hashTable) throws Exception {
            File[] exes = SolverUtilities.getExes(SolverDescription.Smoldyn);
            assert exes.length == 1 : "one and only one smoldyn solver expected";
            File smoldynExe = exes[0];
            Simulation simulation = new TempSimulation(originalSimulation, false);
            SimulationTask simTask = new SimulationTask(new SimulationJob(simulation, 0, null), 0);
            File inputFile = new File(ResourceUtil.getLocalSimDir(User.tempUser.getName()), simTask.getSimulationJobID() + SimDataConstants.SMOLDYN_INPUT_FILE_EXTENSION);
            inputFile.deleteOnExit();
            PrintWriter pw = new PrintWriter(inputFile);
            SmoldynFileWriter smf = new SmoldynFileWriter(pw, true, null, simTask, false);
            smf.write();
            pw.close();
            String[] cmd = new String[] { smoldynExe.getAbsolutePath(), inputFile.getAbsolutePath() };
            StringBuilder commandLine = new StringBuilder();
            for (int i = 0; i < cmd.length; i++) {
                if (i > 0) {
                    commandLine.append(" ");
                }
                commandLine.append(TokenMangler.getEscapedPathName(cmd[i]));
            }
            System.out.println(commandLine);
            char[] charArrayOut = new char[10000];
            char[] charArrayErr = new char[10000];
            ProcessBuilder processBuilder = new ProcessBuilder(cmd);
            final Process process = processBuilder.start();
            getClientTaskStatusSupport().addProgressDialogListener(new ProgressDialogListener() {

                public void cancelButton_actionPerformed(EventObject newEvent) {
                    process.destroy();
                }
            });
            InputStream errorStream = process.getErrorStream();
            InputStreamReader errisr = new InputStreamReader(errorStream);
            InputStream outputStream = process.getInputStream();
            InputStreamReader outisr = new InputStreamReader(outputStream);
            StringBuilder sb = new StringBuilder();
            boolean running = true;
            while (running) {
                try {
                    process.exitValue();
                    running = false;
                } catch (IllegalThreadStateException e) {
                // process didn't exit yet, do nothing
                }
                if (outputStream.available() > 0) {
                    outisr.read(charArrayOut, 0, charArrayOut.length);
                }
                if (errorStream.available() > 0) {
                    errisr.read(charArrayErr, 0, charArrayErr.length);
                    sb.append(new String(charArrayErr));
                }
            }
            if (sb.length() > 0) {
                throw new RuntimeException(sb.toString());
            }
        }
    };
    tasks.add(pv);
    ClientTaskDispatcher.dispatchColl(documentWindowManager.getComponent(), new Hashtable<String, Object>(), tasks, false, true, null);
}

Example 2 with SmoldynFileWriter

use of org.vcell.solver.smoldyn.SmoldynFileWriter in project vcell by virtualcell.

the class SmoldynExtensionFilter method writeBioModel.

@Override
public void writeBioModel(DocumentManager documentManager, BioModel bioModel, File exportFile, SimulationContext ignored) throws Exception {
    Objects.requireNonNull(selectedSim);
    int scanCount = selectedSim.getScanCount();
    if (// has parameter scan
    scanCount > 1) {
        String baseExportFileName = exportFile.getPath().substring(0, exportFile.getPath().indexOf("."));
        for (int i = 0; i < scanCount; i++) {
            SimulationTask simTask = new SimulationTask(new SimulationJob(selectedSim, i, null), 0);
            // Need to export each parameter scan into a separate file
            String newExportFileName = baseExportFileName + "_" + i + SMOLDYN_INPUT_FILE_EXTENSION;
            exportFile = new File(newExportFileName);
            PrintWriter pw = new PrintWriter(exportFile);
            SmoldynFileWriter smf = new SmoldynFileWriter(pw, true, null, simTask, false);
            smf.write();
            pw.close();
        }
    } else if (// regular simulation, no parameter scan
    scanCount == 1) {
        SimulationTask simTask = new SimulationTask(new SimulationJob(selectedSim, 0, null), 0);
        // export the simulation to the selected file
        PrintWriter pw = new PrintWriter(exportFile);
        SmoldynFileWriter smf = new SmoldynFileWriter(pw, true, null, simTask, false);
        smf.write();
        pw.close();
    } else {
        throw new Exception("Simulation scan count is smaller than 1.");
    }
}

Example 3 with SmoldynFileWriter

use of org.vcell.solver.smoldyn.SmoldynFileWriter in project vcell by virtualcell.

the class FiniteVolumeFileWriter method writeSmoldyn.

private void writeSmoldyn() throws Exception {
    String baseName = new File(workingDirectory, simTask.getSimulationJob().getSimulationJobID()).getPath();
    String inputFilename = baseName + SimDataConstants.SMOLDYN_INPUT_FILE_EXTENSION;
    try (PrintWriter pw = new PrintWriter(inputFilename)) {
        SmoldynFileWriter stFileWriter = new SmoldynFileWriter(pw, false, baseName, simTask, bUseMessaging);
        stFileWriter.write();
    }
    printWriter.println("# Smoldyn Input");
    printWriter.println(FVInputFileKeyword.SMOLDYN_BEGIN);
    printWriter.println(FVInputFileKeyword.SMOLDYN_INPUT_FILE + " " + inputFilename);
    printWriter.println(FVInputFileKeyword.SMOLDYN_END);
    printWriter.println();
}

Example 4 with SmoldynFileWriter

use of org.vcell.solver.smoldyn.SmoldynFileWriter in project vcell by virtualcell.

the class ExportDocument method run.

/**
 * Insert the method's description here.
 * Creation date: (5/31/2004 6:04:14 PM)
 * @param hashTable java.util.Hashtable
 * @param clientWorker cbit.vcell.desktop.controls.ClientWorker
 */
public void run(Hashtable<String, Object> hashTable) throws java.lang.Exception {
    VCDocument documentToExport = (VCDocument) hashTable.get("documentToExport");
    File exportFile = fetch(hashTable, EXPORT_FILE, File.class, true);
    ExtensionFilter fileFilter = fetch(hashTable, FILE_FILTER, ExtensionFilter.class, true);
    DocumentManager documentManager = fetch(hashTable, DocumentManager.IDENT, DocumentManager.class, true);
    String resultString = null;
    FileCloseHelper closeThis = null;
    try {
        if (documentToExport instanceof BioModel) {
            if (!(fileFilter instanceof SelectorExtensionFilter)) {
                throw new Exception("Expecting fileFilter type " + SelectorExtensionFilter.class.getName() + " but got " + fileFilter.getClass().getName());
            }
            BioModel bioModel = (BioModel) documentToExport;
            SimulationContext chosenSimContext = fetch(hashTable, SIM_CONTEXT, SimulationContext.class, false);
            ((SelectorExtensionFilter) fileFilter).writeBioModel(documentManager, bioModel, exportFile, chosenSimContext);
        /*		DELETE this after finishing validation testing
			
			// check format requested
			if (fileFilter.getDescription().equals(FileFilters.FILE_FILTER_MATLABV6.getDescription())){
				// matlab from application; get application
		
				SimulationContext chosenSimContext = fetch(hashTable,SIM_CONTEXT,SimulationContext.class, true);
				// regenerate a fresh MathDescription
				MathMapping mathMapping = chosenSimContext.createNewMathMapping();
				MathDescription mathDesc = mathMapping.getMathDescription();
				if(mathDesc != null && !mathDesc.isSpatial() && !mathDesc.isNonSpatialStoch()){
					// do export
					resultString = exportMatlab(exportFile, fileFilter, mathDesc);
				}else{
					throw new Exception("Matlab export failed: NOT an non-spatial deterministic application!");
				}
			} else if (fileFilter.equals(FileFilters.FILE_FILTER_PDF)) {   
				FileOutputStream fos = null;
				try {
					fos = new FileOutputStream(exportFile);
					documentManager.generatePDF(bioModel, fos);				
				} finally {
					if(fos != null) {
						fos.close();					
					}
				}
				return; 									//will take care of writing to the file as well.
			}
			//Export a simulation to Smoldyn input file, if there are parameter scans
			//in simulation, we'll export multiple Smoldyn input files.
			else if (fileFilter.equals(FileFilters.FILE_FILTER_SMOLDYN_INPUT)) 
			{ 
				Simulation selectedSim = (Simulation)hashTable.get("selectedSimulation");
				if (selectedSim != null) {
					int scanCount = selectedSim.getScanCount();
					if(scanCount > 1) // has parameter scan
					{
						String baseExportFileName = exportFile.getPath().substring(0, exportFile.getPath().indexOf("."));
						for(int i=0; i<scanCount; i++)
						{
							SimulationTask simTask = new SimulationTask(new SimulationJob(selectedSim, i, null),0);
							// Need to export each parameter scan into a separate file
							String newExportFileName = baseExportFileName + "_" + i + SMOLDYN_INPUT_FILE_EXTENSION;
							exportFile = new File(newExportFileName);
							
							PrintWriter pw = new PrintWriter(exportFile);
							SmoldynFileWriter smf = new SmoldynFileWriter(pw, true, null, simTask, false);
							smf.write();
							pw.close();	
						}
					}
					else if(scanCount == 1)// regular simulation, no parameter scan
					{
						SimulationTask simTask = new SimulationTask(new SimulationJob(selectedSim, 0, null),0);
						// export the simulation to the selected file
						PrintWriter pw = new PrintWriter(exportFile);
						SmoldynFileWriter smf = new SmoldynFileWriter(pw, true, null, simTask, false);
						smf.write();
						pw.close();
					}
					else
					{
						throw new Exception("Simulation scan count is smaller than 1.");
					}
				}
				return;
													
			} else {
				// convert it if other format
				if (!fileFilter.equals(FileFilters.FILE_FILTER_VCML)) {
					// SBML or CellML; get application name
					if ((fileFilter.equals(FileFilters.FILE_FILTER_SBML_12)) || (fileFilter.equals(FileFilters.FILE_FILTER_SBML_21)) || 
						(fileFilter.equals(FileFilters.FILE_FILTER_SBML_22)) || (fileFilter.equals(FileFilters.FILE_FILTER_SBML_23)) || 
						(fileFilter.equals(FileFilters.FILE_FILTER_SBML_24)) || (fileFilter.equals(FileFilters.FILE_FILTER_SBML_31_CORE)) || 
						(fileFilter.equals(FileFilters.FILE_FILTER_SBML_31_SPATIAL)) ) {
						SimulationContext selectedSimContext = (SimulationContext)hashTable.get("selectedSimContext");
						Simulation selectedSim = (Simulation)hashTable.get("selectedSimulation");
						int sbmlLevel = 0;
						int sbmlVersion = 0;
						int sbmlPkgVersion = 0;
						boolean bIsSpatial = false;
						if ((fileFilter.equals(FileFilters.FILE_FILTER_SBML_12))) {
							sbmlLevel = 1;
							sbmlVersion = 2;
						} else if (fileFilter.equals(FileFilters.FILE_FILTER_SBML_21)) {
							sbmlLevel = 2;
							sbmlVersion = 1;
						} else if (fileFilter.equals(FileFilters.FILE_FILTER_SBML_22)) {
							sbmlLevel = 2;
							sbmlVersion = 2;
						} else if (fileFilter.equals(FileFilters.FILE_FILTER_SBML_23)) {
							sbmlLevel = 2;
							sbmlVersion = 3;
						} else if (fileFilter.equals(FileFilters.FILE_FILTER_SBML_24)) {
							sbmlLevel = 2;
							sbmlVersion = 4;
						} else if (fileFilter.equals(FileFilters.FILE_FILTER_SBML_31_CORE)) {
							sbmlLevel = 3;
							sbmlVersion = 1;
						} else if (fileFilter.equals(FileFilters.FILE_FILTER_SBML_31_SPATIAL)) {
							sbmlLevel = 3;
							sbmlVersion = 1;
							sbmlPkgVersion = 1;
							bIsSpatial = true;
						}
						if (selectedSim == null) {
							resultString = XmlHelper.exportSBML(bioModel, sbmlLevel, sbmlVersion, sbmlPkgVersion, bIsSpatial, selectedSimContext, null);
							XmlUtil.writeXMLStringToFile(resultString, exportFile.getAbsolutePath(), true);
							return;
						} else {
							for (int sc = 0; sc < selectedSim.getScanCount(); sc++) {
								SimulationJob simJob = new SimulationJob(selectedSim, sc, null);
								resultString = XmlHelper.exportSBML(bioModel, sbmlLevel, sbmlVersion, sbmlPkgVersion, bIsSpatial, selectedSimContext, simJob);
								// Need to export each parameter scan into a separate file 
								String newExportFileName = exportFile.getPath().substring(0, exportFile.getPath().indexOf(".xml")) + "_" + sc + ".xml";
								exportFile.renameTo(new File(newExportFileName));
								XmlUtil.writeXMLStringToFile(resultString, exportFile.getAbsolutePath(), true);
							}
							return;
						}
					} else if (fileFilter.equals(FileFilters.FILE_FILTER_BNGL)) {
						RbmModelContainer rbmModelContainer = bioModel.getModel().getRbmModelContainer();
						StringWriter bnglStringWriter = new StringWriter();
						PrintWriter pw = new PrintWriter(bnglStringWriter);
						RbmNetworkGenerator.writeBngl(bioModel, pw);
						resultString = bnglStringWriter.toString();
						pw.close();
						
					} else if (fileFilter.equals(FileFilters.FILE_FILTER_NFSIM)) {
						// TODO: get the first thing we find for now, in the future we'll need to modify ChooseFile 
						//       to only offer the applications / simulations with bngl content
						SimulationContext simContexts[] = bioModel.getSimulationContexts();
						SimulationContext aSimulationContext = simContexts[0];
						Simulation selectedSim = aSimulationContext.getSimulations(0);
						//Simulation selectedSim = (Simulation)hashTable.get("selectedSimulation");
						SimulationTask simTask = new SimulationTask(new SimulationJob(selectedSim, 0, null),0);
						long randomSeed = 0;	// a fixed seed will allow us to run reproducible simulations
						//long randomSeed = System.currentTimeMillis();
						NFsimSimulationOptions nfsimSimulationOptions = new NFsimSimulationOptions();
						// we get the data we need from the math description
						Element root = NFsimXMLWriter.writeNFsimXML(simTask, randomSeed, nfsimSimulationOptions);
						Document doc = new Document();
						doc.setRootElement(root);
						XMLOutputter xmlOut = new XMLOutputter();
						resultString = xmlOut.outputString(doc);
	
					} else if (fileFilter.equals(FileFilters.FILE_FILTER_CELLML)) {
						Integer chosenSimContextIndex = (Integer)hashTable.get("chosenSimContextIndex");
						String applicationName = bioModel.getSimulationContext(chosenSimContextIndex.intValue()).getName();
						resultString = XmlHelper.exportCellML(bioModel, applicationName);
						// cellml still uses default character encoding for now ... maybe UTF-8 in the future
					} else if (fileFilter.equals(FileFilters.FILE_FILTER_SEDML)) {
						// export the entire biomodel to a SEDML file (for now, only non-spatial,non-stochastic applns)
						int sedmlLevel = 1;
						int sedmlVersion = 1;
						String sPath = FileUtils.getFullPathNoEndSeparator(exportFile.getAbsolutePath());
						String sFile = FileUtils.getBaseName(exportFile.getAbsolutePath());
						String sExt = FileUtils.getExtension(exportFile.getAbsolutePath());
						
						SEDMLExporter sedmlExporter = null;
						if (bioModel instanceof BioModel) {
							sedmlExporter = new SEDMLExporter(bioModel, sedmlLevel, sedmlVersion);
							resultString = sedmlExporter.getSEDMLFile(sPath);
						} else {
							throw new RuntimeException("unsupported Document Type " + bioModel.getClass().getName() + " for SedML export");
						}
						if(sExt.equals("sedx")) {
							sedmlExporter.createManifest(sPath, sFile);
							String sedmlFileName = sPath + FileUtils.WINDOWS_SEPARATOR + sFile + ".sedml";
							XmlUtil.writeXMLStringToFile(resultString, sedmlFileName, true);
							sedmlExporter.addSedmlFileToList(sFile + ".sedml");
							sedmlExporter.addSedmlFileToList("manifest.xml");
							sedmlExporter.createZipArchive(sPath, sFile);
							return;
						} else {
							XmlUtil.writeXMLStringToFile(resultString, exportFile.getAbsolutePath(), true);
						}
					}
				} else {
					// if format is VCML, get it from biomodel.
					bioModel.getVCMetaData().cleanupMetadata();
					resultString = XmlHelper.bioModelToXML(bioModel);
					XmlUtil.writeXMLStringToFile(resultString, exportFile.getAbsolutePath(), true);
					return;
				}
			}*/
        } else if (documentToExport instanceof MathModel) {
            MathModel mathModel = (MathModel) documentToExport;
            // check format requested
            if (fileFilter.equals(FileFilters.FILE_FILTER_MATLABV6)) {
                // check if it's ODE
                if (mathModel.getMathDescription() != null && (!mathModel.getMathDescription().isSpatial() && !mathModel.getMathDescription().isNonSpatialStoch())) {
                    MathDescription mathDesc = mathModel.getMathDescription();
                    resultString = exportMatlab(exportFile, fileFilter, mathDesc);
                } else {
                    throw new Exception("Matlab export failed: NOT an non-spatial deterministic model.");
                }
            } else if (fileFilter.equals(FileFilters.FILE_FILTER_PDF)) {
                FileOutputStream fos = new FileOutputStream(exportFile);
                documentManager.generatePDF(mathModel, fos);
                fos.close();
                // will take care of writing to the file as well.
                return;
            } else if (fileFilter.equals(FileFilters.FILE_FILTER_VCML)) {
                resultString = XmlHelper.mathModelToXML(mathModel);
            } else if (fileFilter.equals(FileFilters.FILE_FILTER_CELLML)) {
                resultString = XmlHelper.exportCellML(mathModel, null);
            } else if (fileFilter.equals(FileFilters.FILE_FILTER_SBML_23)) {
                resultString = XmlHelper.exportSBML(mathModel, 2, 3, 0, false, null, null);
            } else if (fileFilter.equals(FileFilters.FILE_FILTER_SBML_24)) {
                resultString = XmlHelper.exportSBML(mathModel, 2, 4, 0, false, null, null);
            } else // in simulation, we'll export multiple Smoldyn input files.
            if (fileFilter.equals(FileFilters.FILE_FILTER_SMOLDYN_INPUT)) {
                Simulation selectedSim = (Simulation) hashTable.get("selectedSimulation");
                if (selectedSim != null) {
                    int scanCount = selectedSim.getScanCount();
                    // -----
                    String baseExportFileName = (scanCount == 1 ? null : exportFile.getPath().substring(0, exportFile.getPath().indexOf(".")));
                    for (int i = 0; i < scanCount; i++) {
                        SimulationTask simTask = new SimulationTask(new SimulationJob(selectedSim, i, null), 0);
                        // Need to export each parameter scan into a separate file
                        File localExportFile = (scanCount == 1 ? exportFile : new File(baseExportFileName + "_" + i + SMOLDYN_INPUT_FILE_EXTENSION));
                        FileCloseHelper localCloseThis = new FileCloseHelper(localExportFile);
                        try {
                            SmoldynFileWriter smf = new SmoldynFileWriter(localCloseThis.getPrintWriter(), true, null, simTask, false);
                            smf.write();
                        } finally {
                            if (localCloseThis != null) {
                                localCloseThis.close();
                            }
                        }
                    }
                }
                return;
            }
        } else if (documentToExport instanceof Geometry) {
            Geometry geom = (Geometry) documentToExport;
            if (fileFilter.equals(FileFilters.FILE_FILTER_PDF)) {
                documentManager.generatePDF(geom, (closeThis = new FileCloseHelper(exportFile)).getFileOutputStream());
            } else if (fileFilter.equals(FileFilters.FILE_FILTER_VCML)) {
                resultString = XmlHelper.geometryToXML(geom);
            } else if (fileFilter.equals(FileFilters.FILE_FILTER_AVS)) {
                cbit.vcell.export.AVS_UCD_Exporter.writeUCDGeometryOnly(geom.getGeometrySurfaceDescription(), (closeThis = new FileCloseHelper(exportFile)).getFileWriter());
            } else if (fileFilter.equals(FileFilters.FILE_FILTER_STL)) {
                // make sure filename end with .stl
                File stlFile = exportFile;
                if (!exportFile.getName().toLowerCase().endsWith(".stl")) {
                    stlFile = new File(exportFile.getParentFile(), exportFile.getName() + ".stl");
                }
                cbit.vcell.geometry.surface.StlExporter.writeBinaryStl(geom.getGeometrySurfaceDescription(), (closeThis = new FileCloseHelper(stlFile)).getRandomAccessFile("rw"));
            } else if (fileFilter.equals(FileFilters.FILE_FILTER_PLY)) {
                writeStanfordPolygon(geom.getGeometrySurfaceDescription(), (closeThis = new FileCloseHelper(exportFile)).getFileWriter());
            }
        }
        if (resultString != null) {
            (closeThis = new FileCloseHelper(exportFile)).getFileWriter().write(resultString);
        }
    } finally {
        if (closeThis != null) {
            closeThis.close();
        }
    }
}