use of cbit.vcell.math.MathDescription in project vcell by virtualcell.
the class OptimizationService method updateMath.
private static void updateMath(SimulationContext simulationContext, final NetworkGenerationRequirements networkGenerationRequirements) throws Exception {
Geometry geometry = simulationContext.getGeometry();
if (geometry.getDimension() > 0 && geometry.getGeometrySurfaceDescription().getGeometricRegions() == null) {
geometry.getGeometrySurfaceDescription().updateAll();
}
simulationContext.checkValidity();
MathMapping mathMapping = simulationContext.createNewMathMapping(callback, networkGenerationRequirements);
MathDescription mathDesc = mathMapping.getMathDescription(callback);
callback.setProgressFraction(1.0f / 3.0f * 2.0f);
if (mathDesc != null) {
simulationContext.setMathDescription(mathDesc);
}
}
use of cbit.vcell.math.MathDescription in project vcell by virtualcell.
the class DocumentValidTask 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 {
DocumentWindowManager documentWindowManager = (DocumentWindowManager) hashTable.get(CommonTask.DOCUMENT_WINDOW_MANAGER.name);
if (documentWindowManager.getVCDocument() instanceof BioModel) {
// try to successfully generate math and geometry region info
BioModel bioModel = (BioModel) documentWindowManager.getVCDocument();
SimulationContext[] scArray = bioModel.getSimulationContexts();
if (scArray != null) {
MathDescription[] mathDescArray = new MathDescription[scArray.length];
for (int i = 0; i < scArray.length; i++) {
// check if all structure sizes are specified
scArray[i].checkValidity();
//
// compute Geometric Regions if necessary
//
cbit.vcell.geometry.surface.GeometrySurfaceDescription geoSurfaceDescription = scArray[i].getGeometry().getGeometrySurfaceDescription();
if (geoSurfaceDescription != null && geoSurfaceDescription.getGeometricRegions() == null) {
cbit.vcell.geometry.surface.GeometrySurfaceUtils.updateGeometricRegions(geoSurfaceDescription);
}
if (scArray[i].getModel() != bioModel.getModel()) {
throw new Exception("The BioModel's physiology doesn't match that for Application '" + scArray[i].getName() + "'");
}
//
// create new MathDescription
//
MathDescription math = scArray[i].createNewMathMapping().getMathDescription();
//
// load MathDescription into SimulationContext
// (BioModel is responsible for propagating this to all applicable Simulations).
//
mathDescArray[i] = math;
}
hashTable.put("mathDescArray", mathDescArray);
}
// check issues for errors
DocumentValidUtil.checkIssuesForErrors(bioModel);
// Vector<Issue> issueList = new Vector<Issue>();
// IssueContext issueContext = new IssueContext();
// bioModel.gatherIssues(issueContext,issueList);
// for (int i = 0; i < issueList.size(); i++){
// Issue issue = issueList.elementAt(i);
// if (issue.getSeverity() == Issue.SEVERITY_ERROR){
// String errMsg = "Error: ";
// Object issueSource = issue.getSource();
// if (issueSource instanceof OutputFunctionIssueSource) {
// SimulationOwner simulationOwner = ((OutputFunctionIssueSource)issueSource).getOutputFunctionContext().getSimulationOwner();
// String funcName = ((OutputFunctionIssueSource)issueSource).getAnnotatedFunction().getDisplayName();
// if (simulationOwner instanceof SimulationContext) {
// String opErrMsg = "Output Function '" + funcName + "' in application '" + simulationOwner.getName() + "' ";
// if (issue.getCategory().equals(IssueCategory.OUTPUTFUNCTIONCONTEXT_FUNCTION_EXPBINDING)) {
// opErrMsg += "refers to an unknown variable. Either the model changed or this version of VCell generates variable names differently.\n\n";
// }
// errMsg += opErrMsg;
// }
// }
// throw new Exception(errMsg + issue.getMessage());
// }
// }
}
if (documentWindowManager.getVCDocument() instanceof cbit.vcell.geometry.Geometry) {
// try to successfully generate GeometricRegions if spatial and not present.
cbit.vcell.geometry.Geometry geometry = (cbit.vcell.geometry.Geometry) documentWindowManager.getVCDocument();
if (geometry.getGeometrySurfaceDescription() != null && geometry.getGeometrySurfaceDescription().getGeometricRegions() == null) {
try {
cbit.vcell.geometry.surface.GeometrySurfaceUtils.updateGeometricRegions(geometry.getGeometrySurfaceDescription());
} catch (Exception e) {
throw new Exception("Error determining regions in spatial geometry '" + geometry.getName() + "': \n" + e.getMessage());
}
}
}
if (documentWindowManager.getVCDocument() instanceof cbit.vcell.mathmodel.MathModel) {
// try to successfully generate GeometricRegions if spatial and not present.
cbit.vcell.mathmodel.MathModel mathModel = (cbit.vcell.mathmodel.MathModel) documentWindowManager.getVCDocument();
cbit.vcell.geometry.Geometry geometry = mathModel.getMathDescription().getGeometry();
if (geometry.getGeometrySurfaceDescription() != null && geometry.getGeometrySurfaceDescription().getGeometricRegions() == null) {
try {
cbit.vcell.geometry.surface.GeometrySurfaceUtils.updateGeometricRegions(geometry.getGeometrySurfaceDescription());
} catch (Exception e) {
throw new Exception("Error determining regions in spatial geometry '" + geometry.getName() + "': \n" + e.getMessage());
}
}
}
}
use of cbit.vcell.math.MathDescription 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();
}
}
}
use of cbit.vcell.math.MathDescription in project vcell by virtualcell.
the class BioModelTreePanel method actionsOnClick.
/**
* Comment
*/
private void actionsOnClick(MouseEvent mouseEvent) {
DefaultMutableTreeNode currentTreeSelection = (DefaultMutableTreeNode) getJTree2().getLastSelectedPathComponent();
Object selectedObject = null;
if (currentTreeSelection == null) {
return;
}
selectedObject = currentTreeSelection.getUserObject();
// double click
if (mouseEvent.getClickCount() == 2) {
if (selectedObject instanceof SimulationContext) {
fireActionPerformed(new ActionEvent(this, mouseEvent.getID(), GuiConstants.ACTIONCMD_OPEN_APPLICATION, mouseEvent.getModifiers()));
} else if (selectedObject instanceof Annotation) {
editAnnotation();
} else if (selectedObject instanceof MathDescription) {
fireActionPerformed(new ActionEvent(this, mouseEvent.getID(), GuiConstants.ACTIONCMD_OPEN_APPLICATION_MATH, mouseEvent.getModifiers()));
} else if (selectedObject instanceof Geometry) {
fireActionPerformed(new ActionEvent(this, mouseEvent.getID(), GuiConstants.ACTIONCMD_OPEN_APPLICATION_GEOMETRY, mouseEvent.getModifiers()));
} else if (selectedObject instanceof Simulation) {
fireActionPerformed(new ActionEvent(this, mouseEvent.getID(), GuiConstants.ACTIONCMD_OPEN_APPLICATION_SIMULATION, mouseEvent.getModifiers()));
} else if (selectedObject instanceof MathType) {
// deterministic or stochastic or rule-bsaed
fireActionPerformed(new ActionEvent(this, mouseEvent.getID(), GuiConstants.ACTIONCMD_OPEN_APPLICATION_DETSTOCH, mouseEvent.getModifiers()));
}
return;
}
// right click
if (mouseEvent.isPopupTrigger()) {
Point mousePoint = mouseEvent.getPoint();
if (selectedObject instanceof BioModel) {
getBioModelPopupMenu().show(getJTree2(), mousePoint.x, mousePoint.y);
} else if (selectedObject instanceof SimulationContext) {
getAppPopupMenu().show(getJTree2(), mousePoint.x, mousePoint.y);
} else if (selectedObject instanceof Simulation) {
getSimPopupMenu().show(getJTree2(), mousePoint.x, mousePoint.y);
}
if (selectedObject instanceof Annotation) {
getEditAnnotationPopupMenu().show(getJTree2(), mousePoint.x, mousePoint.y);
}
}
}
use of cbit.vcell.math.MathDescription in project vcell by virtualcell.
the class MembraneParticleDiffusionVisitor method visitBioModel.
public void visitBioModel(BioModel bioModel, PrintStream logFilePrintStream) {
try {
logFilePrintStream.println(bioModel.getVersion().getName() + " " + bioModel.getVersion().getDate() + " " + bioModel.getVersion().getVersionKey());
SimulationContext[] simContexts = bioModel.getSimulationContexts();
for (int i = 0; i < simContexts.length; i++) {
SimulationContext simContext = simContexts[i];
MathDescription mathDescription = simContext.getMathDescription();
if (simContext.isStoch() && simContext.getGeometry().getDimension() > 0) {
if (hasMembraneDiffusion(mathDescription)) {
logFilePrintStream.println("membraneDiffusion: " + mathDescription.getKey());
mathKeyStream.println(bioModel.getVersion().getOwner().getName() + ",\"" + bioModel.getName() + "\"," + bioModel.getVersion().getVersionKey() + ",BioModel," + mathDescription.getKey());
mathKeyStream.flush();
}
}
}
} catch (Exception e) {
e.printStackTrace();
logFilePrintStream.println(" failed " + e.getMessage());
}
}
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