Example 1 with SpatialParameterPlugin
use of org.sbml.jsbml.ext.spatial.SpatialParameterPlugin in project vcell by virtualcell.
the class SBMLImporter method addParameters.
/**
* addParameters : Adds global parameters from SBML model to VCell model. If
* expression for global parameter contains species, creates a conc_factor
* parameter (conversion from SBML - VCell conc units) and adds this factor
* to VC global params list, and replaces occurances of 'sp' with
* 'sp*concFactor' in original param expression.
*
* @throws PropertyVetoException
*/
protected void addParameters() throws Exception {
ListOf listofGlobalParams = sbmlModel.getListOfParameters();
if (listofGlobalParams == null) {
System.out.println("No Global Parameters");
return;
}
Model vcModel = vcBioModel.getSimulationContext(0).getModel();
ArrayList<ModelParameter> vcModelParamsList = new ArrayList<Model.ModelParameter>();
// create a hash of reserved symbols so that if there is any reserved
// symbol occurring as a global parameter in the SBML model,
// the hash can be used to check for reserved symbols, so that it will
// not be added as a global parameter in VCell,
// since reserved symbols cannot be used as other variables (species,
// structureSize, parameters, reactions, etc.).
HashSet<String> reservedSymbolHash = new HashSet<String>();
for (ReservedSymbol rs : vcModel.getReservedSymbols()) {
reservedSymbolHash.add(rs.getName());
}
ModelUnitSystem modelUnitSystem = vcModel.getUnitSystem();
for (int i = 0; i < sbmlModel.getNumParameters(); i++) {
Parameter sbmlGlobalParam = (Parameter) listofGlobalParams.get(i);
String paramName = sbmlGlobalParam.getId();
SpatialParameterPlugin spplugin = null;
if (bSpatial) {
// check if parameter id is x/y/z : if so, check if its
// 'spatialSymbolRef' child's spatial id and type are non-empty.
// If so, the parameter represents a spatial element.
// If not, throw an exception, since a parameter that does not
// represent a spatial element cannot have an id of x/y/z
spplugin = (SpatialParameterPlugin) sbmlGlobalParam.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
if (paramName.equals("x") || paramName.equals("y") || paramName.equals("z")) {
boolean bSpatialParam = (spplugin != null && spplugin.getParamType() instanceof SpatialSymbolReference);
// if (a) and (b) are true, continue with the next parameter
if (!bSpatialParam) {
throw new RuntimeException("Parameter '" + paramName + "' is not a spatial parameter : Cannot have a variable in VCell named '" + paramName + "' unless it is a spatial variable.");
} else {
// parameter to the list of vcell parameters.
continue;
}
}
}
//
// Get param value if set or get its expression from rule
//
// Check if param is defined by an assignment rule or initial
// assignment. If so, that value overrides the value existing in the
// param element.
// assignment rule, first
Expression valueExpr = getValueFromAssignmentRule(paramName);
if (valueExpr == null) {
if (sbmlGlobalParam.isSetValue()) {
double value = sbmlGlobalParam.getValue();
valueExpr = new Expression(value);
} else {
// if value for global param is not set and param has a rate
// rule, need to set an init value for param (else, there
// will be a problem in reaction which uses this parameter).
// use a 'default' initial value of '0'
valueExpr = new Expression(0.0);
// logger.sendMessage(VCLogger.Priority.MediumPriority,
// VCLogger.Priority.LowPriority,
// "Parameter did not have an initial value, but has a rate rule specified. Using a default value of 0.0.");
}
}
if (valueExpr != null) {
// valueExpr will be changed
valueExpr = adjustExpression(valueExpr, vcModel);
}
// extension
if (bSpatial) {
VCAssert.assertTrue(spplugin != null, "invalid initialization logic");
ParameterType sbmlParamType = spplugin.getParamType();
SpeciesContext paramSpContext = null;
SpeciesContextSpec vcSpContextsSpec = null;
// Check for diffusion coefficient(s)
if (sbmlParamType instanceof DiffusionCoefficient) {
DiffusionCoefficient diffCoeff = (DiffusionCoefficient) sbmlParamType;
if (diffCoeff != null && diffCoeff.isSetVariable()) {
// get the var of diffCoeff; find appropriate spContext
// in vcell; set its diff param to param value.
paramSpContext = vcModel.getSpeciesContext(diffCoeff.getVariable());
if (paramSpContext != null) {
vcSpContextsSpec = vcBioModel.getSimulationContext(0).getReactionContext().getSpeciesContextSpec(paramSpContext);
vcSpContextsSpec.getDiffusionParameter().setExpression(valueExpr);
}
// coeff parameter to the list of vcell parameters.
continue;
}
}
// Check for advection coefficient(s)
if (sbmlParamType instanceof AdvectionCoefficient) {
AdvectionCoefficient advCoeff = (AdvectionCoefficient) sbmlParamType;
if (advCoeff != null && advCoeff.isSetVariable()) {
// get the var of advCoeff; find appropriate spContext
// in vcell; set its adv param to param value.
paramSpContext = vcModel.getSpeciesContext(advCoeff.getVariable());
if (paramSpContext != null) {
vcSpContextsSpec = vcBioModel.getSimulationContext(0).getReactionContext().getSpeciesContextSpec(paramSpContext);
CoordinateKind coordKind = advCoeff.getCoordinate();
SpeciesContextSpecParameter param = null;
switch(coordKind) {
case cartesianX:
{
param = vcSpContextsSpec.getParameterFromRole(SpeciesContextSpec.ROLE_VelocityX);
break;
}
case cartesianY:
{
param = vcSpContextsSpec.getParameterFromRole(SpeciesContextSpec.ROLE_VelocityY);
break;
}
case cartesianZ:
{
param = vcSpContextsSpec.getParameterFromRole(SpeciesContextSpec.ROLE_VelocityZ);
break;
}
}
param.setExpression(valueExpr);
}
// coeff parameter to the list of vcell parameters.
continue;
}
}
// Check for Boundary condition(s)
if (sbmlParamType instanceof BoundaryCondition) {
BoundaryCondition bCondn = (BoundaryCondition) sbmlParamType;
if (bCondn != null && bCondn.isSetVariable()) {
// get the var of boundaryCondn; find appropriate
// spContext in vcell;
// set the BC param of its speciesContextSpec to param
// value.
paramSpContext = vcModel.getSpeciesContext(bCondn.getVariable());
if (paramSpContext == null) {
throw new RuntimeException("unable to process boundary condition for variable " + bCondn.getVariable());
}
StructureMapping sm = vcBioModel.getSimulationContext(0).getGeometryContext().getStructureMapping(paramSpContext.getStructure());
vcSpContextsSpec = vcBioModel.getSimulationContext(0).getReactionContext().getSpeciesContextSpec(paramSpContext);
for (CoordinateComponent coordComp : getSbmlGeometry().getListOfCoordinateComponents()) {
if (bCondn.getSpatialRef().equals(coordComp.getBoundaryMinimum().getSpatialId())) {
switch(coordComp.getType()) {
case cartesianX:
{
vcSpContextsSpec.getBoundaryXmParameter().setExpression(valueExpr);
}
case cartesianY:
{
vcSpContextsSpec.getBoundaryYmParameter().setExpression(valueExpr);
}
case cartesianZ:
{
vcSpContextsSpec.getBoundaryZmParameter().setExpression(valueExpr);
}
}
}
if (bCondn.getSpatialRef().equals(coordComp.getBoundaryMaximum().getSpatialId())) {
switch(coordComp.getType()) {
case cartesianX:
{
vcSpContextsSpec.getBoundaryXpParameter().setExpression(valueExpr);
}
case cartesianY:
{
vcSpContextsSpec.getBoundaryYpParameter().setExpression(valueExpr);
}
case cartesianZ:
{
vcSpContextsSpec.getBoundaryZpParameter().setExpression(valueExpr);
}
}
}
}
continue;
}
}
// Check for Boundary condition(s)
if (sbmlParamType instanceof SpatialSymbolReference) {
SpatialSymbolReference spatialSymbolRef = (SpatialSymbolReference) sbmlParamType;
throw new RuntimeException("generic Spatial Symbol References not yet supported, unresolved spatial reference '" + spatialSymbolRef.getSpatialRef() + "'");
}
}
// doesn't exist.
if (vcModel.getModelParameter(paramName) == null) {
VCUnitDefinition glParamUnitDefn = sbmlUnitIdentifierHash.get(sbmlGlobalParam.getUnits());
// set it to TBD or check if it was dimensionless.
if (glParamUnitDefn == null) {
glParamUnitDefn = modelUnitSystem.getInstance_TBD();
}
// VCell : cannot add reserved symbol to model params.
if (!reservedSymbolHash.contains(paramName)) {
ModelParameter vcGlobalParam = vcModel.new ModelParameter(paramName, valueExpr, Model.ROLE_UserDefined, glParamUnitDefn);
if (paramName.length() > 64) {
// record global parameter name in annotation if it is
// longer than 64 characeters
vcGlobalParam.setDescription("Parameter Name : " + paramName);
}
vcModelParamsList.add(vcGlobalParam);
}
}
}
// end for - sbmlModel.parameters
vcModel.setModelParameters(vcModelParamsList.toArray(new ModelParameter[0]));
}
Also used :
ReservedSymbol(cbit.vcell.model.Model.ReservedSymbol)
ArrayList(java.util.ArrayList)
SpatialParameterPlugin(org.sbml.jsbml.ext.spatial.SpatialParameterPlugin)
SpeciesContext(cbit.vcell.model.SpeciesContext)
SpeciesContextSpec(cbit.vcell.mapping.SpeciesContextSpec)
StructureMapping(cbit.vcell.mapping.StructureMapping)
CoordinateKind(org.sbml.jsbml.ext.spatial.CoordinateKind)
ListOf(org.sbml.jsbml.ListOf)
HashSet(java.util.HashSet)
ModelUnitSystem(cbit.vcell.model.ModelUnitSystem)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
CoordinateComponent(org.sbml.jsbml.ext.spatial.CoordinateComponent)
AdvectionCoefficient(org.sbml.jsbml.ext.spatial.AdvectionCoefficient)
ParameterType(org.sbml.jsbml.ext.spatial.ParameterType)
BioEventParameterType(cbit.vcell.mapping.BioEvent.BioEventParameterType)
DiffusionCoefficient(org.sbml.jsbml.ext.spatial.DiffusionCoefficient)
InteriorPoint(org.sbml.jsbml.ext.spatial.InteriorPoint)
SpatialSymbolReference(org.sbml.jsbml.ext.spatial.SpatialSymbolReference)
ModelParameter(cbit.vcell.model.Model.ModelParameter)
VCUnitDefinition(cbit.vcell.units.VCUnitDefinition)
Expression(cbit.vcell.parser.Expression)
BoundaryCondition(org.sbml.jsbml.ext.spatial.BoundaryCondition)
Model(cbit.vcell.model.Model)
BioModel(cbit.vcell.biomodel.BioModel)
KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter)
Parameter(org.sbml.jsbml.Parameter)
ModelParameter(cbit.vcell.model.Model.ModelParameter)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
LocalParameter(org.sbml.jsbml.LocalParameter)
KineticsProxyParameter(cbit.vcell.model.Kinetics.KineticsProxyParameter)
UnresolvedParameter(cbit.vcell.model.Kinetics.UnresolvedParameter)
Example 2 with SpatialParameterPlugin
use of org.sbml.jsbml.ext.spatial.SpatialParameterPlugin in project vcell by virtualcell.
the class SBMLImporter method addGeometry.
protected void addGeometry() {
// get a Geometry object via SpatialModelPlugin object.
org.sbml.jsbml.ext.spatial.Geometry sbmlGeometry = getSbmlGeometry();
if (sbmlGeometry == null) {
return;
}
int dimension = 0;
Origin vcOrigin = null;
Extent vcExtent = null;
{
// local code block
// get a CoordComponent object via the Geometry object.
ListOf<CoordinateComponent> listOfCoordComps = sbmlGeometry.getListOfCoordinateComponents();
if (listOfCoordComps == null) {
throw new RuntimeException("Cannot have 0 coordinate compartments in geometry");
}
// coord component
double ox = 0.0;
double oy = 0.0;
double oz = 0.0;
double ex = 1.0;
double ey = 1.0;
double ez = 1.0;
for (CoordinateComponent coordComponent : listOfCoordComps) {
double minValue = coordComponent.getBoundaryMinimum().getValue();
double maxValue = coordComponent.getBoundaryMaximum().getValue();
switch(coordComponent.getType()) {
case cartesianX:
{
ox = minValue;
ex = maxValue - minValue;
break;
}
case cartesianY:
{
oy = minValue;
ey = maxValue - minValue;
break;
}
case cartesianZ:
{
oz = minValue;
ez = maxValue - minValue;
break;
}
}
dimension++;
}
vcOrigin = new Origin(ox, oy, oz);
vcExtent = new Extent(ex, ey, ez);
}
// from geometry definition, find out which type of geometry : image or
// analytic or CSG
AnalyticGeometry analyticGeometryDefinition = null;
CSGeometry csGeometry = null;
SampledFieldGeometry segmentedSampledFieldGeometry = null;
SampledFieldGeometry distanceMapSampledFieldGeometry = null;
ParametricGeometry parametricGeometry = null;
for (int i = 0; i < sbmlGeometry.getListOfGeometryDefinitions().size(); i++) {
GeometryDefinition gd_temp = sbmlGeometry.getListOfGeometryDefinitions().get(i);
if (!gd_temp.isSetIsActive()) {
continue;
}
if (gd_temp instanceof AnalyticGeometry) {
analyticGeometryDefinition = (AnalyticGeometry) gd_temp;
} else if (gd_temp instanceof SampledFieldGeometry) {
SampledFieldGeometry sfg = (SampledFieldGeometry) gd_temp;
String sfn = sfg.getSampledField();
ListOf<SampledField> sampledFields = sbmlGeometry.getListOfSampledFields();
if (sampledFields.size() > 1) {
throw new RuntimeException("only one sampled field supported");
}
InterpolationKind ik = sampledFields.get(0).getInterpolationType();
switch(ik) {
case linear:
distanceMapSampledFieldGeometry = sfg;
break;
case nearestNeighbor:
segmentedSampledFieldGeometry = sfg;
break;
default:
lg.warn("Unsupported " + sampledFields.get(0).getName() + " interpolation type " + ik);
}
} else if (gd_temp instanceof CSGeometry) {
csGeometry = (CSGeometry) gd_temp;
} else if (gd_temp instanceof ParametricGeometry) {
parametricGeometry = (ParametricGeometry) gd_temp;
} else {
throw new RuntimeException("unsupported geometry definition type " + gd_temp.getClass().getSimpleName());
}
}
if (analyticGeometryDefinition == null && segmentedSampledFieldGeometry == null && distanceMapSampledFieldGeometry == null && csGeometry == null) {
throw new SBMLImportException("VCell supports only Analytic, Image based (segmentd or distance map) or Constructed Solid Geometry at this time.");
}
GeometryDefinition selectedGeometryDefinition = null;
if (csGeometry != null) {
selectedGeometryDefinition = csGeometry;
} else if (analyticGeometryDefinition != null) {
selectedGeometryDefinition = analyticGeometryDefinition;
} else if (segmentedSampledFieldGeometry != null) {
selectedGeometryDefinition = segmentedSampledFieldGeometry;
} else if (distanceMapSampledFieldGeometry != null) {
selectedGeometryDefinition = distanceMapSampledFieldGeometry;
} else if (parametricGeometry != null) {
selectedGeometryDefinition = parametricGeometry;
} else {
throw new SBMLImportException("no geometry definition found");
}
Geometry vcGeometry = null;
if (selectedGeometryDefinition == analyticGeometryDefinition || selectedGeometryDefinition == csGeometry) {
vcGeometry = new Geometry("spatialGeom", dimension);
} else if (selectedGeometryDefinition == distanceMapSampledFieldGeometry || selectedGeometryDefinition == segmentedSampledFieldGeometry) {
SampledFieldGeometry sfg = (SampledFieldGeometry) selectedGeometryDefinition;
// get image from sampledFieldGeometry
// get a sampledVol object via the listOfSampledVol (from
// SampledGeometry) object.
// gcw gcw gcw
String sfn = sfg.getSampledField();
SampledField sf = null;
for (SampledField sampledField : sbmlGeometry.getListOfSampledFields()) {
if (sampledField.getSpatialId().equals(sfn)) {
sf = sampledField;
}
}
int numX = sf.getNumSamples1();
int numY = sf.getNumSamples2();
int numZ = sf.getNumSamples3();
int[] samples = new int[sf.getSamplesLength()];
StringTokenizer tokens = new StringTokenizer(sf.getSamples(), " ");
int count = 0;
while (tokens.hasMoreTokens()) {
int sample = Integer.parseInt(tokens.nextToken());
samples[count++] = sample;
}
byte[] imageInBytes = new byte[samples.length];
if (selectedGeometryDefinition == distanceMapSampledFieldGeometry) {
//
for (int i = 0; i < imageInBytes.length; i++) {
// if (interpolation(samples[i])<0){
if (samples[i] < 0) {
imageInBytes[i] = -1;
} else {
imageInBytes[i] = 1;
}
}
} else {
for (int i = 0; i < imageInBytes.length; i++) {
imageInBytes[i] = (byte) samples[i];
}
}
try {
// System.out.println("ident " + sf.getId() + " " + sf.getName());
VCImage vcImage = null;
CompressionKind ck = sf.getCompression();
DataKind dk = sf.getDataType();
if (ck == CompressionKind.deflated) {
vcImage = new VCImageCompressed(null, imageInBytes, vcExtent, numX, numY, numZ);
} else {
switch(dk) {
case UINT8:
case UINT16:
case UINT32:
vcImage = new VCImageUncompressed(null, imageInBytes, vcExtent, numX, numY, numZ);
default:
}
}
if (vcImage == null) {
throw new SbmlException("Unsupported type combination " + ck + ", " + dk + " for sampled field " + sf.getName());
}
vcImage.setName(sf.getId());
ListOf<SampledVolume> sampledVolumes = sfg.getListOfSampledVolumes();
final int numSampledVols = sampledVolumes.size();
if (numSampledVols == 0) {
throw new RuntimeException("Cannot have 0 sampled volumes in sampledField (image_based) geometry");
}
// check to see if values are uniquely integer , add set up scaling if necessary
double scaleFactor = checkPixelScaling(sampledVolumes, 1);
if (scaleFactor != 1) {
double checkScaleFactor = checkPixelScaling(sampledVolumes, scaleFactor);
VCAssert.assertTrue(checkScaleFactor != scaleFactor, "Scale factor check failed");
}
VCPixelClass[] vcpixelClasses = new VCPixelClass[numSampledVols];
// get pixel classes for geometry
for (int i = 0; i < numSampledVols; i++) {
SampledVolume sVol = sampledVolumes.get(i);
// from subVolume, get pixelClass?
final int scaled = (int) (scaleFactor * sVol.getSampledValue());
vcpixelClasses[i] = new VCPixelClass(null, sVol.getDomainType(), scaled);
}
vcImage.setPixelClasses(vcpixelClasses);
// now create image geometry
vcGeometry = new Geometry("spatialGeom", vcImage);
} catch (Exception e) {
e.printStackTrace(System.out);
throw new RuntimeException("Unable to create image from SampledFieldGeometry : " + e.getMessage());
}
}
GeometrySpec vcGeometrySpec = vcGeometry.getGeometrySpec();
vcGeometrySpec.setOrigin(vcOrigin);
try {
vcGeometrySpec.setExtent(vcExtent);
} catch (PropertyVetoException e) {
e.printStackTrace(System.out);
throw new SBMLImportException("Unable to set extent on VC geometry : " + e.getMessage(), e);
}
// get listOfDomainTypes via the Geometry object.
ListOf<DomainType> listOfDomainTypes = sbmlGeometry.getListOfDomainTypes();
if (listOfDomainTypes == null || listOfDomainTypes.size() < 1) {
throw new SBMLImportException("Cannot have 0 domainTypes in geometry");
}
// get a listOfDomains via the Geometry object.
ListOf<Domain> listOfDomains = sbmlGeometry.getListOfDomains();
if (listOfDomains == null || listOfDomains.size() < 1) {
throw new SBMLImportException("Cannot have 0 domains in geometry");
}
// ListOfGeometryDefinitions listOfGeomDefns =
// sbmlGeometry.getListOfGeometryDefinitions();
// if ((listOfGeomDefns == null) ||
// (sbmlGeometry.getNumGeometryDefinitions() > 1)) {
// throw new
// RuntimeException("Can have only 1 geometry definition in geometry");
// }
// use the boolean bAnalytic to create the right kind of subvolume.
// First match the somVol=domainTypes for spDim=3. Deal witl spDim=2
// afterwards.
GeometrySurfaceDescription vcGsd = vcGeometry.getGeometrySurfaceDescription();
Vector<DomainType> surfaceClassDomainTypesVector = new Vector<DomainType>();
try {
for (DomainType dt : listOfDomainTypes) {
if (dt.getSpatialDimensions() == 3) {
// subvolume
if (selectedGeometryDefinition == analyticGeometryDefinition) {
// will set expression later - when reading in Analytic
// Volumes in GeometryDefinition
vcGeometrySpec.addSubVolume(new AnalyticSubVolume(dt.getId(), new Expression(1.0)));
} else {
// add SubVolumes later for CSG and Image-based
}
} else if (dt.getSpatialDimensions() == 2) {
surfaceClassDomainTypesVector.add(dt);
}
}
// analytic vol is needed to get the expression for subVols
if (selectedGeometryDefinition == analyticGeometryDefinition) {
// get an analyticVol object via the listOfAnalyticVol (from
// AnalyticGeometry) object.
ListOf<AnalyticVolume> aVolumes = analyticGeometryDefinition.getListOfAnalyticVolumes();
if (aVolumes.size() < 1) {
throw new SBMLImportException("Cannot have 0 Analytic volumes in analytic geometry");
}
for (AnalyticVolume analyticVol : aVolumes) {
// get subVol from VC geometry using analyticVol spatialId;
// set its expr using analyticVol's math.
SubVolume vcSubvolume = vcGeometrySpec.getSubVolume(analyticVol.getDomainType());
CastInfo<AnalyticSubVolume> ci = BeanUtils.attemptCast(AnalyticSubVolume.class, vcSubvolume);
if (!ci.isGood()) {
throw new RuntimeException("analytic volume '" + analyticVol.getId() + "' does not map to any VC subvolume.");
}
AnalyticSubVolume asv = ci.get();
try {
Expression subVolExpr = getExpressionFromFormula(analyticVol.getMath());
asv.setExpression(subVolExpr);
} catch (ExpressionException e) {
e.printStackTrace(System.out);
throw new SBMLImportException("Unable to set expression on subVolume '" + asv.getName() + "'. " + e.getMessage(), e);
}
}
}
SampledFieldGeometry sfg = BeanUtils.downcast(SampledFieldGeometry.class, selectedGeometryDefinition);
if (sfg != null) {
ListOf<SampledVolume> sampledVolumes = sfg.getListOfSampledVolumes();
int numSampledVols = sampledVolumes.size();
if (numSampledVols == 0) {
throw new SBMLImportException("Cannot have 0 sampled volumes in sampledField (image_based) geometry");
}
VCPixelClass[] vcpixelClasses = new VCPixelClass[numSampledVols];
ImageSubVolume[] vcImageSubVols = new ImageSubVolume[numSampledVols];
// get pixel classes for geometry
int idx = 0;
for (SampledVolume sVol : sampledVolumes) {
// from subVolume, get pixelClass?
final String name = sVol.getDomainType();
final int pixelValue = SBMLUtils.ignoreZeroFraction(sVol.getSampledValue());
VCPixelClass pc = new VCPixelClass(null, name, pixelValue);
vcpixelClasses[idx] = pc;
// Create the new Image SubVolume - use index of this for
// loop as 'handle' for ImageSubVol?
ImageSubVolume isv = new ImageSubVolume(null, pc, idx);
isv.setName(name);
vcImageSubVols[idx++] = isv;
}
vcGeometry.getGeometrySpec().setSubVolumes(vcImageSubVols);
}
if (selectedGeometryDefinition == csGeometry) {
ListOf<org.sbml.jsbml.ext.spatial.CSGObject> listOfcsgObjs = csGeometry.getListOfCSGObjects();
ArrayList<org.sbml.jsbml.ext.spatial.CSGObject> sbmlCSGs = new ArrayList<org.sbml.jsbml.ext.spatial.CSGObject>(listOfcsgObjs);
// we want the CSGObj with highest ordinal to be the first
// element in the CSG subvols array.
Collections.sort(sbmlCSGs, new Comparator<org.sbml.jsbml.ext.spatial.CSGObject>() {
@Override
public int compare(org.sbml.jsbml.ext.spatial.CSGObject lhs, org.sbml.jsbml.ext.spatial.CSGObject rhs) {
// minus one to reverse sort
return -1 * Integer.compare(lhs.getOrdinal(), rhs.getOrdinal());
}
});
int n = sbmlCSGs.size();
CSGObject[] vcCSGSubVolumes = new CSGObject[n];
for (int i = 0; i < n; i++) {
org.sbml.jsbml.ext.spatial.CSGObject sbmlCSGObject = sbmlCSGs.get(i);
CSGObject vcellCSGObject = new CSGObject(null, sbmlCSGObject.getDomainType(), i);
vcellCSGObject.setRoot(getVCellCSGNode(sbmlCSGObject.getCSGNode()));
}
vcGeometry.getGeometrySpec().setSubVolumes(vcCSGSubVolumes);
}
// Call geom.geomSurfDesc.updateAll() to automatically generate
// surface classes.
// vcGsd.updateAll();
vcGeometry.precomputeAll(new GeometryThumbnailImageFactoryAWT(), true, true);
} catch (Exception e) {
e.printStackTrace(System.out);
throw new SBMLImportException("Unable to create VC subVolumes from SBML domainTypes : " + e.getMessage(), e);
}
// should now map each SBML domain to right VC geometric region.
GeometricRegion[] vcGeomRegions = vcGsd.getGeometricRegions();
ISize sampleSize = vcGsd.getVolumeSampleSize();
RegionInfo[] regionInfos = vcGsd.getRegionImage().getRegionInfos();
int numX = sampleSize.getX();
int numY = sampleSize.getY();
int numZ = sampleSize.getZ();
double ox = vcOrigin.getX();
double oy = vcOrigin.getY();
double oz = vcOrigin.getZ();
for (Domain domain : listOfDomains) {
String domainType = domain.getDomainType();
InteriorPoint interiorPt = domain.getListOfInteriorPoints().get(0);
if (interiorPt == null) {
DomainType currDomainType = null;
for (DomainType dt : sbmlGeometry.getListOfDomainTypes()) {
if (dt.getSpatialId().equals(domainType)) {
currDomainType = dt;
}
}
if (currDomainType.getSpatialDimensions() == 2) {
continue;
}
}
Coordinate sbmlInteriorPtCoord = new Coordinate(interiorPt.getCoord1(), interiorPt.getCoord2(), interiorPt.getCoord3());
for (int j = 0; j < vcGeomRegions.length; j++) {
if (vcGeomRegions[j] instanceof VolumeGeometricRegion) {
int regionID = ((VolumeGeometricRegion) vcGeomRegions[j]).getRegionID();
for (int k = 0; k < regionInfos.length; k++) {
// (using gemoRegion regionID).
if (regionInfos[k].getRegionIndex() == regionID) {
int volIndx = 0;
Coordinate nearestPtCoord = null;
double minDistance = Double.MAX_VALUE;
// represented by SBML 'domain[i]'.
for (int z = 0; z < numZ; z++) {
for (int y = 0; y < numY; y++) {
for (int x = 0; x < numX; x++) {
if (regionInfos[k].isIndexInRegion(volIndx)) {
double unit_z = (numZ > 1) ? ((double) z) / (numZ - 1) : 0.5;
double coordZ = oz + vcExtent.getZ() * unit_z;
double unit_y = (numY > 1) ? ((double) y) / (numY - 1) : 0.5;
double coordY = oy + vcExtent.getY() * unit_y;
double unit_x = (numX > 1) ? ((double) x) / (numX - 1) : 0.5;
double coordX = ox + vcExtent.getX() * unit_x;
// for now, find the shortest dist
// coord. Can refine algo later.
Coordinate vcCoord = new Coordinate(coordX, coordY, coordZ);
double distance = sbmlInteriorPtCoord.distanceTo(vcCoord);
if (distance < minDistance) {
minDistance = distance;
nearestPtCoord = vcCoord;
}
}
volIndx++;
}
// end - for x
}
// end - for y
}
// with domain name
if (nearestPtCoord != null) {
GeometryClass geomClassSBML = vcGeometry.getGeometryClass(domainType);
// we know vcGeometryReg[j] is a VolGeomRegion
GeometryClass geomClassVC = ((VolumeGeometricRegion) vcGeomRegions[j]).getSubVolume();
if (geomClassSBML.compareEqual(geomClassVC)) {
vcGeomRegions[j].setName(domain.getId());
}
}
}
// end if (regInfoIndx = regId)
}
// end - for regInfo
}
}
// end for - vcGeomRegions
}
// deal with surfaceClass:spDim2-domainTypes
for (int i = 0; i < surfaceClassDomainTypesVector.size(); i++) {
DomainType surfaceClassDomainType = surfaceClassDomainTypesVector.elementAt(i);
// 'surfaceClassDomainType'
for (Domain d : listOfDomains) {
if (d.getDomainType().equals(surfaceClassDomainType.getId())) {
// get the adjacent domains of this 'surface' domain
// (surface domain + its 2 adj vol domains)
Set<Domain> adjacentDomainsSet = getAssociatedAdjacentDomains(sbmlGeometry, d);
// get the domain types of the adjacent domains in SBML and
// store the corresponding subVol counterparts from VC for
// adj vol domains
Vector<SubVolume> adjacentSubVolumesVector = new Vector<SubVolume>();
Vector<VolumeGeometricRegion> adjVolGeomRegionsVector = new Vector<VolumeGeometricRegion>();
Iterator<Domain> iterator = adjacentDomainsSet.iterator();
while (iterator.hasNext()) {
Domain dom = iterator.next();
DomainType dt = getBySpatialID(sbmlGeometry.getListOfDomainTypes(), dom.getDomainType());
if (dt.getSpatialDimensions() == 3) {
// for domain type with sp. dim = 3, get
// correspoinding subVol from VC geometry.
GeometryClass gc = vcGeometry.getGeometryClass(dt.getId());
adjacentSubVolumesVector.add((SubVolume) gc);
// store volGeomRegions corresponding to this (vol)
// geomClass in adjVolGeomRegionsVector : this
// should return ONLY 1 region for subVol.
GeometricRegion[] geomRegion = vcGsd.getGeometricRegions(gc);
adjVolGeomRegionsVector.add((VolumeGeometricRegion) geomRegion[0]);
}
}
// there should be only 2 subVols in this vector
if (adjacentSubVolumesVector.size() != 2) {
throw new RuntimeException("Cannot have more or less than 2 subvolumes that are adjacent to surface (membrane) '" + d.getId() + "'");
}
// get the surface class with these 2 adj subVols. Set its
// name to that of 'surfaceClassDomainType'
SurfaceClass surfacClass = vcGsd.getSurfaceClass(adjacentSubVolumesVector.get(0), adjacentSubVolumesVector.get(1));
surfacClass.setName(surfaceClassDomainType.getSpatialId());
// get surfaceGeometricRegion that has adjVolGeomRegions as
// its adjacent vol geom regions and set its name from
// domain 'd'
SurfaceGeometricRegion surfaceGeomRegion = getAssociatedSurfaceGeometricRegion(vcGsd, adjVolGeomRegionsVector);
if (surfaceGeomRegion != null) {
surfaceGeomRegion.setName(d.getId());
}
}
// end if - domain.domainType == surfaceClassDomainType
}
// end for - numDomains
}
// structureMappings in VC from compartmentMappings in SBML
try {
// set geometry first and then set structureMappings?
vcBioModel.getSimulationContext(0).setGeometry(vcGeometry);
// update simContextName ...
vcBioModel.getSimulationContext(0).setName(vcBioModel.getSimulationContext(0).getName() + "_" + vcGeometry.getName());
Model vcModel = vcBioModel.getSimulationContext(0).getModel();
ModelUnitSystem vcModelUnitSystem = vcModel.getUnitSystem();
Vector<StructureMapping> structMappingsVector = new Vector<StructureMapping>();
SpatialCompartmentPlugin cplugin = null;
for (int i = 0; i < sbmlModel.getNumCompartments(); i++) {
Compartment c = sbmlModel.getCompartment(i);
String cname = c.getName();
cplugin = (SpatialCompartmentPlugin) c.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
CompartmentMapping compMapping = cplugin.getCompartmentMapping();
if (compMapping != null) {
// final String id = compMapping.getId();
// final String name = compMapping.getName();
CastInfo<Structure> ci = SBMLHelper.getTypedStructure(Structure.class, vcModel, cname);
if (ci.isGood()) {
Structure struct = ci.get();
String domainType = compMapping.getDomainType();
GeometryClass geometryClass = vcGeometry.getGeometryClass(domainType);
double unitSize = compMapping.getUnitSize();
Feature feat = BeanUtils.downcast(Feature.class, struct);
if (feat != null) {
FeatureMapping featureMapping = new FeatureMapping(feat, vcBioModel.getSimulationContext(0), vcModelUnitSystem);
featureMapping.setGeometryClass(geometryClass);
if (geometryClass instanceof SubVolume) {
featureMapping.getVolumePerUnitVolumeParameter().setExpression(new Expression(unitSize));
} else if (geometryClass instanceof SurfaceClass) {
featureMapping.getVolumePerUnitAreaParameter().setExpression(new Expression(unitSize));
}
structMappingsVector.add(featureMapping);
} else if (struct instanceof Membrane) {
MembraneMapping membraneMapping = new MembraneMapping((Membrane) struct, vcBioModel.getSimulationContext(0), vcModelUnitSystem);
membraneMapping.setGeometryClass(geometryClass);
if (geometryClass instanceof SubVolume) {
membraneMapping.getAreaPerUnitVolumeParameter().setExpression(new Expression(unitSize));
} else if (geometryClass instanceof SurfaceClass) {
membraneMapping.getAreaPerUnitAreaParameter().setExpression(new Expression(unitSize));
}
structMappingsVector.add(membraneMapping);
}
}
}
}
StructureMapping[] structMappings = structMappingsVector.toArray(new StructureMapping[0]);
vcBioModel.getSimulationContext(0).getGeometryContext().setStructureMappings(structMappings);
// if type from SBML parameter Boundary Condn is not the same as the
// boundary type of the
// structureMapping of structure of paramSpContext, set the boundary
// condn type of the structureMapping
// to the value of 'type' from SBML parameter Boundary Condn.
ListOf<Parameter> listOfGlobalParams = sbmlModel.getListOfParameters();
for (Parameter sbmlGlobalParam : sbmlModel.getListOfParameters()) {
SpatialParameterPlugin spplugin = (SpatialParameterPlugin) sbmlGlobalParam.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
ParameterType paramType = spplugin.getParamType();
if (!(paramType instanceof BoundaryCondition)) {
continue;
}
BoundaryCondition bCondn = (BoundaryCondition) paramType;
if (bCondn.isSetVariable()) {
// get the var of boundaryCondn; find appropriate spContext
// in vcell;
SpeciesContext paramSpContext = vcBioModel.getSimulationContext(0).getModel().getSpeciesContext(bCondn.getVariable());
if (paramSpContext != null) {
Structure s = paramSpContext.getStructure();
StructureMapping sm = vcBioModel.getSimulationContext(0).getGeometryContext().getStructureMapping(s);
if (sm != null) {
BoundaryConditionType bct = null;
switch(bCondn.getType()) {
case Dirichlet:
{
bct = BoundaryConditionType.DIRICHLET;
break;
}
case Neumann:
{
bct = BoundaryConditionType.NEUMANN;
break;
}
case Robin_inwardNormalGradientCoefficient:
case Robin_sum:
case Robin_valueCoefficient:
default:
throw new RuntimeException("boundary condition type " + bCondn.getType().name() + " not supported");
}
for (CoordinateComponent coordComp : getSbmlGeometry().getListOfCoordinateComponents()) {
if (bCondn.getSpatialRef().equals(coordComp.getBoundaryMinimum().getSpatialId())) {
switch(coordComp.getType()) {
case cartesianX:
{
sm.setBoundaryConditionTypeXm(bct);
}
case cartesianY:
{
sm.setBoundaryConditionTypeYm(bct);
}
case cartesianZ:
{
sm.setBoundaryConditionTypeZm(bct);
}
}
}
if (bCondn.getSpatialRef().equals(coordComp.getBoundaryMaximum().getSpatialId())) {
switch(coordComp.getType()) {
case cartesianX:
{
sm.setBoundaryConditionTypeXm(bct);
}
case cartesianY:
{
sm.setBoundaryConditionTypeYm(bct);
}
case cartesianZ:
{
sm.setBoundaryConditionTypeZm(bct);
}
}
}
}
} else // sm != null
{
logger.sendMessage(VCLogger.Priority.MediumPriority, VCLogger.ErrorType.OverallWarning, "No structure " + s.getName() + " requested by species context " + paramSpContext.getName());
}
}
// end if (paramSpContext != null)
}
// end if (bCondn.isSetVar())
}
// end for (sbmlModel.numParams)
vcBioModel.getSimulationContext(0).getGeometryContext().refreshStructureMappings();
vcBioModel.getSimulationContext(0).refreshSpatialObjects();
} catch (Exception e) {
e.printStackTrace(System.out);
throw new SBMLImportException("Unable to create VC structureMappings from SBML compartment mappings : " + e.getMessage(), e);
}
}
Also used :
Origin(org.vcell.util.Origin)
VCPixelClass(cbit.image.VCPixelClass)
MembraneMapping(cbit.vcell.mapping.MembraneMapping)
DataKind(org.sbml.jsbml.ext.spatial.DataKind)
ArrayList(java.util.ArrayList)
BoundaryConditionType(cbit.vcell.math.BoundaryConditionType)
SpeciesContext(cbit.vcell.model.SpeciesContext)
Feature(cbit.vcell.model.Feature)
GeometryDefinition(org.sbml.jsbml.ext.spatial.GeometryDefinition)
SubVolume(cbit.vcell.geometry.SubVolume)
ImageSubVolume(cbit.vcell.geometry.ImageSubVolume)
CompartmentSubVolume(cbit.vcell.geometry.CompartmentSubVolume)
AnalyticSubVolume(cbit.vcell.geometry.AnalyticSubVolume)
Vector(java.util.Vector)
CoordinateComponent(org.sbml.jsbml.ext.spatial.CoordinateComponent)
SimulationContext(cbit.vcell.mapping.SimulationContext)
SpeciesContext(cbit.vcell.model.SpeciesContext)
GeometryContext(cbit.vcell.mapping.GeometryContext)
IssueContext(org.vcell.util.IssueContext)
ReactionContext(cbit.vcell.mapping.ReactionContext)
CompressionKind(org.sbml.jsbml.ext.spatial.CompressionKind)
VolumeGeometricRegion(cbit.vcell.geometry.surface.VolumeGeometricRegion)
PropertyVetoException(java.beans.PropertyVetoException)
ModelPropertyVetoException(cbit.vcell.model.ModelPropertyVetoException)
Coordinate(org.vcell.util.Coordinate)
BoundaryCondition(org.sbml.jsbml.ext.spatial.BoundaryCondition)
SbmlException(org.vcell.sbml.SbmlException)
AnalyticSubVolume(cbit.vcell.geometry.AnalyticSubVolume)
SurfaceClass(cbit.vcell.geometry.SurfaceClass)
CSGeometry(org.sbml.jsbml.ext.spatial.CSGeometry)
VCImage(cbit.image.VCImage)
StructureMapping(cbit.vcell.mapping.StructureMapping)
GeometryThumbnailImageFactoryAWT(cbit.vcell.geometry.GeometryThumbnailImageFactoryAWT)
FeatureMapping(cbit.vcell.mapping.FeatureMapping)
Structure(cbit.vcell.model.Structure)
ModelUnitSystem(cbit.vcell.model.ModelUnitSystem)
ParameterType(org.sbml.jsbml.ext.spatial.ParameterType)
BioEventParameterType(cbit.vcell.mapping.BioEvent.BioEventParameterType)
SampledFieldGeometry(org.sbml.jsbml.ext.spatial.SampledFieldGeometry)
Geometry(cbit.vcell.geometry.Geometry)
SampledFieldGeometry(org.sbml.jsbml.ext.spatial.SampledFieldGeometry)
AnalyticGeometry(org.sbml.jsbml.ext.spatial.AnalyticGeometry)
ParametricGeometry(org.sbml.jsbml.ext.spatial.ParametricGeometry)
CSGeometry(org.sbml.jsbml.ext.spatial.CSGeometry)
StringTokenizer(java.util.StringTokenizer)
Expression(cbit.vcell.parser.Expression)
Model(cbit.vcell.model.Model)
BioModel(cbit.vcell.biomodel.BioModel)
InterpolationKind(org.sbml.jsbml.ext.spatial.InterpolationKind)
KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter)
Parameter(org.sbml.jsbml.Parameter)
ModelParameter(cbit.vcell.model.Model.ModelParameter)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
LocalParameter(org.sbml.jsbml.LocalParameter)
KineticsProxyParameter(cbit.vcell.model.Kinetics.KineticsProxyParameter)
UnresolvedParameter(cbit.vcell.model.Kinetics.UnresolvedParameter)
CompartmentMapping(org.sbml.jsbml.ext.spatial.CompartmentMapping)
Compartment(org.sbml.jsbml.Compartment)
SpatialParameterPlugin(org.sbml.jsbml.ext.spatial.SpatialParameterPlugin)
AnalyticGeometry(org.sbml.jsbml.ext.spatial.AnalyticGeometry)
ExpressionException(cbit.vcell.parser.ExpressionException)
GeometrySpec(cbit.vcell.geometry.GeometrySpec)
DomainType(org.sbml.jsbml.ext.spatial.DomainType)
SampledVolume(org.sbml.jsbml.ext.spatial.SampledVolume)
ListOf(org.sbml.jsbml.ListOf)
SpatialCompartmentPlugin(org.sbml.jsbml.ext.spatial.SpatialCompartmentPlugin)
VCImageCompressed(cbit.image.VCImageCompressed)
SurfaceGeometricRegion(cbit.vcell.geometry.surface.SurfaceGeometricRegion)
VolumeGeometricRegion(cbit.vcell.geometry.surface.VolumeGeometricRegion)
GeometricRegion(cbit.vcell.geometry.surface.GeometricRegion)
AnalyticVolume(org.sbml.jsbml.ext.spatial.AnalyticVolume)
InteriorPoint(org.sbml.jsbml.ext.spatial.InteriorPoint)
ParametricGeometry(org.sbml.jsbml.ext.spatial.ParametricGeometry)
SampledField(org.sbml.jsbml.ext.spatial.SampledField)
Domain(org.sbml.jsbml.ext.spatial.Domain)
GeometryClass(cbit.vcell.geometry.GeometryClass)
GeometrySurfaceDescription(cbit.vcell.geometry.surface.GeometrySurfaceDescription)
Extent(org.vcell.util.Extent)
ISize(org.vcell.util.ISize)
RegionInfo(cbit.vcell.geometry.RegionImage.RegionInfo)
Membrane(cbit.vcell.model.Membrane)
CSGObject(cbit.vcell.geometry.CSGObject)
ImageSubVolume(cbit.vcell.geometry.ImageSubVolume)
SurfaceGeometricRegion(cbit.vcell.geometry.surface.SurfaceGeometricRegion)
VCImageUncompressed(cbit.image.VCImageUncompressed)
InteriorPoint(org.sbml.jsbml.ext.spatial.InteriorPoint)
XMLStreamException(javax.xml.stream.XMLStreamException)
SbmlException(org.vcell.sbml.SbmlException)
XmlParseException(cbit.vcell.xml.XmlParseException)
IOException(java.io.IOException)
PropertyVetoException(java.beans.PropertyVetoException)
DivideByZeroException(cbit.vcell.parser.DivideByZeroException)
SBMLException(org.sbml.jsbml.SBMLException)
ExpressionBindingException(cbit.vcell.parser.ExpressionBindingException)
ModelPropertyVetoException(cbit.vcell.model.ModelPropertyVetoException)
ExpressionException(cbit.vcell.parser.ExpressionException)
Example 3 with SpatialParameterPlugin
use of org.sbml.jsbml.ext.spatial.SpatialParameterPlugin in project vcell by virtualcell.
the class SBMLImporter method addParameters.
/**
* addParameters : Adds global parameters from SBML model to VCell model. If
* expression for global parameter contains species, creates a conc_factor
* parameter (conversion from SBML - VCell conc units) and adds this factor
* to VC global params list, and replaces occurances of 'sp' with
* 'sp*concFactor' in original param expression.
*
* @throws PropertyVetoException
*/
protected void addParameters(Map<String, String> vcToSbmlNameMap, Map<String, String> sbmlToVcNameMap) throws Exception {
ListOf listofGlobalParams = sbmlModel.getListOfParameters();
if (listofGlobalParams == null) {
System.out.println("No Global Parameters");
return;
}
Model vcModel = vcBioModel.getSimulationContext(0).getModel();
ArrayList<ModelParameter> vcModelParamsList = new ArrayList<Model.ModelParameter>();
// create a hash of reserved symbols so that if there is any reserved
// symbol occurring as a global parameter in the SBML model,
// the hash can be used to check for reserved symbols, so that it will
// not be added as a global parameter in VCell,
// since reserved symbols cannot be used as other variables (species,
// structureSize, parameters, reactions, etc.).
HashSet<String> reservedSymbolHash = new HashSet<String>();
for (ReservedSymbol rs : vcModel.getReservedSymbols()) {
reservedSymbolHash.add(rs.getName());
}
ModelUnitSystem modelUnitSystem = vcModel.getUnitSystem();
for (int i = 0; i < sbmlModel.getNumParameters(); i++) {
Parameter sbmlGlobalParam = (Parameter) listofGlobalParams.get(i);
String paramName = sbmlGlobalParam.getId();
String sbmlParamName = sbmlGlobalParam.getName();
SpatialParameterPlugin spplugin = null;
if (bSpatial) {
// check if parameter id is x/y/z : if so, check if its
// 'spatialSymbolRef' child's spatial id and type are non-empty.
// If so, the parameter represents a spatial element.
// If not, throw an exception, since a parameter that does not
// represent a spatial element cannot have an id of x/y/z
spplugin = (SpatialParameterPlugin) sbmlGlobalParam.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
if (paramName.equals("x") || paramName.equals("y") || paramName.equals("z")) {
boolean bSpatialParam = (spplugin != null && spplugin.getParamType() instanceof SpatialSymbolReference);
// if (a) and (b) are true, continue with the next parameter
if (!bSpatialParam) {
throw new RuntimeException("Parameter '" + paramName + "' is not a spatial parameter : Cannot have a variable in VCell named '" + paramName + "' unless it is a spatial variable.");
} else {
// parameter to the list of vcell parameters.
continue;
}
}
}
//
// Get param value if set or get its expression from rule
//
// Check if param is defined by an assignment rule or initial
// assignment. If so, that value overrides the value existing in the
// param element.
// assignment rule, first
Expression valueExpr = getValueFromAssignmentRule(paramName);
if (valueExpr == null) {
if (sbmlGlobalParam.isSetValue()) {
double value = sbmlGlobalParam.getValue();
valueExpr = new Expression(value);
} else {
// if value for global param is not set and param has a rate
// rule, need to set an init value for param (else, there
// will be a problem in reaction which uses this parameter).
// use a 'default' initial value of '0'
valueExpr = new Expression(0.0);
// logger.sendMessage(VCLogger.Priority.MediumPriority,
// VCLogger.Priority.LowPriority,
// "Parameter did not have an initial value, but has a rate rule specified. Using a default value of 0.0.");
}
}
if (valueExpr != null) {
// valueExpr will be changed
valueExpr = adjustExpression(valueExpr, vcModel);
}
// extension
if (bSpatial) {
VCAssert.assertTrue(spplugin != null, "invalid initialization logic");
ParameterType sbmlParamType = spplugin.getParamType();
SpeciesContext paramSpContext = null;
SpeciesContextSpec vcSpContextsSpec = null;
// Check for diffusion coefficient(s)
if (sbmlParamType instanceof DiffusionCoefficient) {
DiffusionCoefficient diffCoeff = (DiffusionCoefficient) sbmlParamType;
if (diffCoeff != null && diffCoeff.isSetVariable()) {
// get the var of diffCoeff; find appropriate spContext
// in vcell; set its diff param to param value.
paramSpContext = vcModel.getSpeciesContext(diffCoeff.getVariable());
if (paramSpContext != null) {
vcSpContextsSpec = vcBioModel.getSimulationContext(0).getReactionContext().getSpeciesContextSpec(paramSpContext);
vcSpContextsSpec.getDiffusionParameter().setExpression(valueExpr);
}
// coeff parameter to the list of vcell parameters.
continue;
}
}
// Check for advection coefficient(s)
if (sbmlParamType instanceof AdvectionCoefficient) {
AdvectionCoefficient advCoeff = (AdvectionCoefficient) sbmlParamType;
if (advCoeff != null && advCoeff.isSetVariable()) {
// get the var of advCoeff; find appropriate spContext
// in vcell; set its adv param to param value.
paramSpContext = vcModel.getSpeciesContext(advCoeff.getVariable());
if (paramSpContext != null) {
vcSpContextsSpec = vcBioModel.getSimulationContext(0).getReactionContext().getSpeciesContextSpec(paramSpContext);
CoordinateKind coordKind = advCoeff.getCoordinate();
SpeciesContextSpecParameter param = null;
switch(coordKind) {
case cartesianX:
{
param = vcSpContextsSpec.getParameterFromRole(SpeciesContextSpec.ROLE_VelocityX);
break;
}
case cartesianY:
{
param = vcSpContextsSpec.getParameterFromRole(SpeciesContextSpec.ROLE_VelocityY);
break;
}
case cartesianZ:
{
param = vcSpContextsSpec.getParameterFromRole(SpeciesContextSpec.ROLE_VelocityZ);
break;
}
}
param.setExpression(valueExpr);
}
// coeff parameter to the list of vcell parameters.
continue;
}
}
// Check for Boundary condition(s)
if (sbmlParamType instanceof BoundaryCondition) {
BoundaryCondition bCondn = (BoundaryCondition) sbmlParamType;
if (bCondn != null && bCondn.isSetVariable()) {
// get the var of boundaryCondn; find appropriate
// spContext in vcell;
// set the BC param of its speciesContextSpec to param
// value.
paramSpContext = vcModel.getSpeciesContext(bCondn.getVariable());
if (paramSpContext == null) {
throw new RuntimeException("unable to process boundary condition for variable " + bCondn.getVariable());
}
StructureMapping sm = vcBioModel.getSimulationContext(0).getGeometryContext().getStructureMapping(paramSpContext.getStructure());
vcSpContextsSpec = vcBioModel.getSimulationContext(0).getReactionContext().getSpeciesContextSpec(paramSpContext);
for (CoordinateComponent coordComp : getSbmlGeometry().getListOfCoordinateComponents()) {
if (bCondn.getSpatialRef().equals(coordComp.getBoundaryMinimum().getSpatialId())) {
switch(coordComp.getType()) {
case cartesianX:
{
vcSpContextsSpec.getBoundaryXmParameter().setExpression(valueExpr);
}
case cartesianY:
{
vcSpContextsSpec.getBoundaryYmParameter().setExpression(valueExpr);
}
case cartesianZ:
{
vcSpContextsSpec.getBoundaryZmParameter().setExpression(valueExpr);
}
}
}
if (bCondn.getSpatialRef().equals(coordComp.getBoundaryMaximum().getSpatialId())) {
switch(coordComp.getType()) {
case cartesianX:
{
vcSpContextsSpec.getBoundaryXpParameter().setExpression(valueExpr);
}
case cartesianY:
{
vcSpContextsSpec.getBoundaryYpParameter().setExpression(valueExpr);
}
case cartesianZ:
{
vcSpContextsSpec.getBoundaryZpParameter().setExpression(valueExpr);
}
}
}
}
continue;
}
}
// Check for Boundary condition(s)
if (sbmlParamType instanceof SpatialSymbolReference) {
SpatialSymbolReference spatialSymbolRef = (SpatialSymbolReference) sbmlParamType;
throw new RuntimeException("generic Spatial Symbol References not yet supported, unresolved spatial reference '" + spatialSymbolRef.getSpatialRef() + "'");
}
}
// doesn't exist.
if (vcModel.getModelParameter(paramName) == null) {
VCUnitDefinition glParamUnitDefn = sbmlUnitIdentifierHash.get(sbmlGlobalParam.getUnits());
// set it to TBD or check if it was dimensionless.
if (glParamUnitDefn == null) {
glParamUnitDefn = modelUnitSystem.getInstance_TBD();
}
// special treatment for x,y,z
if (isRestrictedXYZT(paramName)) {
String vcSpeciesId = "s_" + paramName;
vcToSbmlNameMap.put(vcSpeciesId, paramName);
sbmlToVcNameMap.put(paramName, vcSpeciesId);
ModelParameter vcGlobalParam = vcModel.new ModelParameter(vcSpeciesId, valueExpr, Model.ROLE_UserDefined, glParamUnitDefn);
if (vcSpeciesId.length() > 64) {
vcGlobalParam.setDescription("Parameter Name : " + vcSpeciesId);
}
if (sbmlParamName != null && !sbmlParamName.isEmpty()) {
vcGlobalParam.setSbmlName(sbmlParamName);
}
vcModelParamsList.add(vcGlobalParam);
} else if (!reservedSymbolHash.contains(paramName)) {
// Also check if the SBML global param is a reserved symbol in
// VCell : cannot add reserved symbol to model params.
// we dealt with x,y,z above
ModelParameter vcGlobalParam = vcModel.new ModelParameter(paramName, valueExpr, Model.ROLE_UserDefined, glParamUnitDefn);
if (paramName.length() > 64) {
// record global parameter name in annotation if it is
// longer than 64 characeters
vcGlobalParam.setDescription("Parameter Name : " + paramName);
}
if (sbmlParamName != null && !sbmlParamName.isEmpty()) {
vcGlobalParam.setSbmlName(sbmlParamName);
}
vcModelParamsList.add(vcGlobalParam);
}
}
}
// end for - sbmlModel.parameters
vcModel.setModelParameters(vcModelParamsList.toArray(new ModelParameter[0]));
}
Also used :
ReservedSymbol(cbit.vcell.model.Model.ReservedSymbol)
ArrayList(java.util.ArrayList)
SpatialParameterPlugin(org.sbml.jsbml.ext.spatial.SpatialParameterPlugin)
SpeciesContext(cbit.vcell.model.SpeciesContext)
SpeciesContextSpec(cbit.vcell.mapping.SpeciesContextSpec)
StructureMapping(cbit.vcell.mapping.StructureMapping)
CoordinateKind(org.sbml.jsbml.ext.spatial.CoordinateKind)
ListOf(org.sbml.jsbml.ListOf)
HashSet(java.util.HashSet)
ModelUnitSystem(cbit.vcell.model.ModelUnitSystem)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
CoordinateComponent(org.sbml.jsbml.ext.spatial.CoordinateComponent)
AdvectionCoefficient(org.sbml.jsbml.ext.spatial.AdvectionCoefficient)
ParameterType(org.sbml.jsbml.ext.spatial.ParameterType)
BioEventParameterType(cbit.vcell.mapping.BioEvent.BioEventParameterType)
DiffusionCoefficient(org.sbml.jsbml.ext.spatial.DiffusionCoefficient)
InteriorPoint(org.sbml.jsbml.ext.spatial.InteriorPoint)
SpatialSymbolReference(org.sbml.jsbml.ext.spatial.SpatialSymbolReference)
ModelParameter(cbit.vcell.model.Model.ModelParameter)
VCUnitDefinition(cbit.vcell.units.VCUnitDefinition)
Expression(cbit.vcell.parser.Expression)
BoundaryCondition(org.sbml.jsbml.ext.spatial.BoundaryCondition)
Model(cbit.vcell.model.Model)
BioModel(cbit.vcell.biomodel.BioModel)
KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter)
Parameter(org.sbml.jsbml.Parameter)
ModelParameter(cbit.vcell.model.Model.ModelParameter)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
LocalParameter(org.sbml.jsbml.LocalParameter)
KineticsProxyParameter(cbit.vcell.model.Kinetics.KineticsProxyParameter)
UnresolvedParameter(cbit.vcell.model.Kinetics.UnresolvedParameter)
Example 4 with SpatialParameterPlugin
use of org.sbml.jsbml.ext.spatial.SpatialParameterPlugin in project vcell by virtualcell.
the class MathModel_SBMLExporter method addGeometry.
private static void addGeometry(Model sbmlModel, MathModel vcMathModel) {
SpatialModelPlugin mplugin = (SpatialModelPlugin) sbmlModel.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
// Creates a geometry object via SpatialModelPlugin object.
org.sbml.jsbml.ext.spatial.Geometry sbmlGeometry = mplugin.getGeometry();
sbmlGeometry.setCoordinateSystem(GeometryKind.cartesian);
Geometry vcGeometry = vcMathModel.getGeometry();
//
// list of CoordinateComponents : 1 if geometry is 1-d, 2 if geometry is 2-d, 3 if geometry is 3-d
//
int dimension = vcGeometry.getDimension();
Extent vcExtent = vcGeometry.getExtent();
Origin vcOrigin = vcGeometry.getOrigin();
// add x coordinate component
CoordinateComponent coordCompX = sbmlGeometry.createCoordinateComponent();
coordCompX.setSpatialId("CoordCompX");
coordCompX.setType(CoordinateKind.cartesianX);
Boundary minX = coordCompX.getBoundaryMaximum();
minX.setSpatialId("Xmin");
minX.setValue(vcOrigin.getX());
Boundary maxX = coordCompX.getBoundaryMaximum();
maxX.setSpatialId("Xmax");
maxX.setValue(vcOrigin.getX() + (vcExtent.getX()));
Parameter parameterX = sbmlModel.createParameter();
// note for exporting BioModels rather than MathModels, get ReservedSymbol from Model with Role of ReservedSymbolRole.X
parameterX.setId(ReservedVariable.X.getName());
SpatialSymbolReference coordXSpatialRef = new SpatialSymbolReference();
coordXSpatialRef.setSpatialRef(coordCompX.getSpatialId());
SpatialParameterPlugin parameterXSpatialPlugin = (SpatialParameterPlugin) parameterX.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
parameterXSpatialPlugin.setParamType(coordXSpatialRef);
// add y coordinate component
if (dimension == 2 || dimension == 3) {
CoordinateComponent coordCompY = sbmlGeometry.createCoordinateComponent();
coordCompY.setSpatialId("CoordCompY");
coordCompY.setType(CoordinateKind.cartesianY);
Boundary minY = coordCompY.getBoundaryMinimum();
minY.setId("Ymin");
minY.setValue(vcOrigin.getY());
Boundary maxY = coordCompY.getBoundaryMaximum();
maxY.setId("Ymax");
maxY.setValue(vcOrigin.getY() + (vcExtent.getY()));
Parameter parameterY = sbmlModel.createParameter();
// note for exporting BioModels rather than MathModels, get ReservedSymbol from Model with Role of ReservedSymbolRole.Y
parameterY.setId(ReservedVariable.Y.getName());
SpatialSymbolReference coordYSpatialRef = new SpatialSymbolReference();
coordYSpatialRef.setSpatialRef(coordCompY.getSpatialId());
SpatialParameterPlugin parameterYSpatialPlugin = (SpatialParameterPlugin) parameterY.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
parameterYSpatialPlugin.setParamType(coordYSpatialRef);
}
// add z coordinate component
if (dimension == 3) {
CoordinateComponent coordCompZ = sbmlGeometry.createCoordinateComponent();
coordCompZ.setSpatialId("CoordCompZ");
coordCompZ.setType(CoordinateKind.cartesianZ);
Boundary minZ = coordCompZ.getBoundaryMinimum();
minZ.setId("Zmin");
minZ.setValue(vcOrigin.getZ());
Boundary maxZ = coordCompZ.getBoundaryMaximum();
maxZ.setId("Zmax");
maxZ.setValue(vcOrigin.getZ() + (vcExtent.getZ()));
Parameter parameterZ = sbmlModel.createParameter();
// note for exporting BioModels rather than MathModels, get ReservedSymbol from Model with Role of ReservedSymbolRole.Y
parameterZ.setId(ReservedVariable.Z.getName());
SpatialSymbolReference coordZSpatialRef = new SpatialSymbolReference();
coordZSpatialRef.setSpatialRef(coordCompZ.getSpatialId());
SpatialParameterPlugin parameterZSpatialPlugin = (SpatialParameterPlugin) parameterZ.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
parameterZSpatialPlugin.setParamType(coordZSpatialRef);
}
//
// list of domain types : subvolumes and surface classes from VC
// Also create compartments - one compartment for each geometryClass. set id and spatialDimension based on type of geometryClass.
//
boolean bAnalyticGeom = false;
boolean bImageGeom = false;
GeometryClass[] vcGeomClasses = vcGeometry.getGeometryClasses();
int numVCGeomClasses = vcGeomClasses.length;
for (int i = 0; i < numVCGeomClasses; i++) {
DomainType domainType = sbmlGeometry.createDomainType();
domainType.setId(vcGeomClasses[i].getName());
if (vcGeomClasses[i] instanceof SubVolume) {
if (((SubVolume) vcGeomClasses[i]) instanceof AnalyticSubVolume) {
bAnalyticGeom = true;
} else if (((SubVolume) vcGeomClasses[i]) instanceof ImageSubVolume) {
bImageGeom = true;
}
domainType.setSpatialDimensions(3);
} else if (vcGeomClasses[i] instanceof SurfaceClass) {
domainType.setSpatialDimensions(2);
}
}
//
// list of domains, adjacent domains : from VC geometricRegions
//
GeometrySurfaceDescription vcGSD = vcGeometry.getGeometrySurfaceDescription();
if (vcGSD.getRegionImage() == null) {
try {
vcGSD.updateAll();
} catch (Exception e) {
e.printStackTrace(System.out);
throw new RuntimeException("Unable to generate region images for geometry");
}
}
GeometricRegion[] vcGeometricRegions = vcGSD.getGeometricRegions();
ISize sampleSize = vcGSD.getVolumeSampleSize();
int numX = sampleSize.getX();
int numY = sampleSize.getY();
int numZ = sampleSize.getZ();
double ox = vcOrigin.getX();
double oy = vcOrigin.getY();
double oz = vcOrigin.getZ();
RegionInfo[] regionInfos = vcGSD.getRegionImage().getRegionInfos();
Compartment compartment = null;
for (int i = 0; i < vcGeometricRegions.length; i++) {
// domains
Domain domain = sbmlGeometry.createDomain();
domain.setId(vcGeometricRegions[i].getName());
compartment = sbmlModel.createCompartment();
compartment.setId("compartment" + i);
if (vcGeometricRegions[i] instanceof VolumeGeometricRegion) {
domain.setDomainType(((VolumeGeometricRegion) vcGeometricRegions[i]).getSubVolume().getName());
// domain.setImplicit(false);
compartment.setSpatialDimensions(3);
InteriorPoint interiorPt = domain.createInteriorPoint();
int regionID = ((VolumeGeometricRegion) vcGeometricRegions[i]).getRegionID();
boolean bFound = false;
int regInfoIndx = 0;
for (int j = 0; j < regionInfos.length; j++) {
regInfoIndx = j;
if (regionInfos[j].getRegionIndex() == regionID) {
int volIndx = 0;
for (int z = 0; z < numZ && !bFound; z++) {
for (int y = 0; y < numY && !bFound; y++) {
for (int x = 0; x < numX && !bFound; x++) {
if (regionInfos[j].isIndexInRegion(volIndx)) {
bFound = true;
double unit_z = (numZ > 1) ? ((double) z) / (numZ - 1) : 0.5;
double coordZ = oz + vcExtent.getZ() * unit_z;
double unit_y = (numY > 1) ? ((double) y) / (numY - 1) : 0.5;
double coordY = oy + vcExtent.getY() * unit_y;
double unit_x = (numX > 1) ? ((double) x) / (numX - 1) : 0.5;
double coordX = ox + vcExtent.getX() * unit_x;
interiorPt.setCoord1(coordX);
interiorPt.setCoord2(coordY);
interiorPt.setCoord3(coordZ);
}
volIndx++;
}
// end - for x
}
// end - for y
}
// end - for z
}
// end if
}
// end for regionInfos
if (!bFound) {
throw new RuntimeException("Unable to find interior point for region '" + regionInfos[regInfoIndx].toString());
}
} else if (vcGeometricRegions[i] instanceof SurfaceGeometricRegion) {
SurfaceGeometricRegion vcSurfaceGeomReg = (SurfaceGeometricRegion) vcGeometricRegions[i];
GeometricRegion geomRegion0 = vcSurfaceGeomReg.getAdjacentGeometricRegions()[0];
GeometricRegion geomRegion1 = vcSurfaceGeomReg.getAdjacentGeometricRegions()[1];
SurfaceClass surfaceClass = vcGSD.getSurfaceClass(((VolumeGeometricRegion) geomRegion0).getSubVolume(), ((VolumeGeometricRegion) geomRegion1).getSubVolume());
domain.setDomainType(surfaceClass.getName());
// domain.setImplicit(true);
compartment.setSpatialDimensions(2);
// adjacent domains : 2 adjacent domain objects for each surfaceClass in VC.
// adjacent domain 1
AdjacentDomains adjDomain = sbmlGeometry.createAdjacentDomain();
adjDomain.setId(TokenMangler.mangleToSName(vcSurfaceGeomReg.getName() + "_" + geomRegion0.getName()));
adjDomain.setDomain1(vcSurfaceGeomReg.getName());
adjDomain.setDomain2(geomRegion0.getName());
// adjacent domain 2
adjDomain = sbmlGeometry.createAdjacentDomain();
adjDomain.setId(TokenMangler.mangleToSName(vcSurfaceGeomReg.getName() + "_" + geomRegion1.getName()));
adjDomain.setDomain1(vcSurfaceGeomReg.getName());
adjDomain.setDomain2(geomRegion1.getName());
}
//
// Mathmodel does not have structureMapping, hence creating compartmentMapping while creating domains.
// @TODO : how to assign unitSize for compartmentMapping?
//
SpatialCompartmentPlugin cplugin = (SpatialCompartmentPlugin) compartment.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
CompartmentMapping compMapping = cplugin.getCompartmentMapping();
String compMappingId = TokenMangler.mangleToSName(domain.getDomainType() + "_" + compartment.getId());
compMapping.setId(compMappingId);
compMapping.setDomainType(TokenMangler.mangleToSName(domain.getDomainType()));
// try {
// compMapping.setUnitSize(1.0);
// } catch (ExpressionException e) {
// e.printStackTrace(System.out);
// throw new RuntimeException("Unable to create compartment mapping for structureMapping '" + compMapping.getId() +"' : " + e.getMessage());
// }
}
AnalyticGeometry sbmlAnalyticGeom = null;
SampledFieldGeometry sbmlSFGeom = null;
// both image and analytic subvolumes?? == not handled in SBML at this time.
if (bAnalyticGeom && !bImageGeom) {
sbmlAnalyticGeom = sbmlGeometry.createAnalyticGeometry();
sbmlAnalyticGeom.setId(TokenMangler.mangleToSName(vcGeometry.getName()));
} else if (bImageGeom && !bAnalyticGeom) {
// assuming image based geometry if not analytic geometry
sbmlSFGeom = sbmlGeometry.createSampledFieldGeometry();
sbmlSFGeom.setId(TokenMangler.mangleToSName(vcGeometry.getName()));
} else if (bAnalyticGeom && bImageGeom) {
throw new RuntimeException("Export to SBML of a combination of Image-based and Analytic geometries is not supported yet.");
} else if (!bAnalyticGeom && !bImageGeom) {
throw new RuntimeException("Unknown geometry type.");
}
//
for (int i = 0; i < vcGeomClasses.length; i++) {
if (vcGeomClasses[i] instanceof AnalyticSubVolume) {
// add analytiVols to sbmlAnalyticGeometry
if (sbmlAnalyticGeom != null) {
AnalyticVolume analyticVol = sbmlAnalyticGeom.createAnalyticVolume();
analyticVol.setId(vcGeomClasses[i].getName());
analyticVol.setDomainType(vcGeomClasses[i].getName());
analyticVol.setFunctionType(FunctionKind.layered);
analyticVol.setOrdinal(i);
Expression expr = ((AnalyticSubVolume) vcGeomClasses[i]).getExpression();
try {
String mathMLStr = ExpressionMathMLPrinter.getMathML(expr, true);
ASTNode mathMLNode = ASTNode.readMathMLFromString(mathMLStr);
analyticVol.setMath(mathMLNode);
} catch (Exception e) {
e.printStackTrace(System.out);
throw new RuntimeException("Error converting VC subvolume expression to mathML" + e.getMessage());
}
} else {
throw new RuntimeException("SBML AnalyticGeometry is null.");
}
} else if (vcGeomClasses[i] instanceof ImageSubVolume) {
// add sampledVols to sbmlSFGeometry
if (sbmlSFGeom != null) {
SampledVolume sampledVol = sbmlSFGeom.createSampledVolume();
sampledVol.setId(vcGeomClasses[i].getName());
sampledVol.setDomainType(vcGeomClasses[i].getName());
sampledVol.setSampledValue(((ImageSubVolume) vcGeomClasses[i]).getPixelValue());
} else {
throw new RuntimeException("SBML SampledFieldGeometry is null.");
}
}
}
if (sbmlSFGeom != null) {
// add sampledField to sampledFieldGeometry
SampledField sampledField = sbmlGeometry.createSampledField();
VCImage vcImage = vcGeometry.getGeometrySpec().getImage();
sampledField.setId(vcImage.getName());
sampledField.setNumSamples1(vcImage.getNumX());
if (vcImage.getNumY() > 1) {
sampledField.setNumSamples2(vcImage.getNumY());
}
if (vcImage.getNumZ() > 1) {
sampledField.setNumSamples3(vcImage.getNumZ());
}
sampledField.setInterpolationType(InterpolationKind.nearestNeighbor);
sampledField.setDataType(DataKind.UINT8);
// add image from vcGeometrySpec to sampledField.
try {
StringBuffer sb = new StringBuffer();
byte[] imagePixelsBytes = vcImage.getPixelsCompressed();
for (int i = 0; i < imagePixelsBytes.length; i++) {
int uint8_sample = ((int) imagePixelsBytes[i]) & 0xff;
sb.append(uint8_sample + " ");
}
sampledField.setSamplesLength(vcImage.getNumXYZ());
sampledField.setSamples(sb.toString().trim());
} catch (ImageException e) {
e.printStackTrace(System.out);
throw new RuntimeException("Unable to export image from VCell to SBML : " + e.getMessage());
}
}
}
Also used :
Origin(org.vcell.util.Origin)
CompartmentMapping(org.sbml.jsbml.ext.spatial.CompartmentMapping)
Compartment(org.sbml.jsbml.Compartment)
SpatialParameterPlugin(org.sbml.jsbml.ext.spatial.SpatialParameterPlugin)
AnalyticGeometry(org.sbml.jsbml.ext.spatial.AnalyticGeometry)
Boundary(org.sbml.jsbml.ext.spatial.Boundary)
DomainType(org.sbml.jsbml.ext.spatial.DomainType)
SampledVolume(org.sbml.jsbml.ext.spatial.SampledVolume)
SubVolume(cbit.vcell.geometry.SubVolume)
ImageSubVolume(cbit.vcell.geometry.ImageSubVolume)
AnalyticSubVolume(cbit.vcell.geometry.AnalyticSubVolume)
SpatialCompartmentPlugin(org.sbml.jsbml.ext.spatial.SpatialCompartmentPlugin)
CoordinateComponent(org.sbml.jsbml.ext.spatial.CoordinateComponent)
VolumeGeometricRegion(cbit.vcell.geometry.surface.VolumeGeometricRegion)
VolumeGeometricRegion(cbit.vcell.geometry.surface.VolumeGeometricRegion)
SurfaceGeometricRegion(cbit.vcell.geometry.surface.SurfaceGeometricRegion)
GeometricRegion(cbit.vcell.geometry.surface.GeometricRegion)
SpatialSymbolReference(org.sbml.jsbml.ext.spatial.SpatialSymbolReference)
AnalyticVolume(org.sbml.jsbml.ext.spatial.AnalyticVolume)
InteriorPoint(org.sbml.jsbml.ext.spatial.InteriorPoint)
SampledField(org.sbml.jsbml.ext.spatial.SampledField)
Domain(org.sbml.jsbml.ext.spatial.Domain)
AnalyticSubVolume(cbit.vcell.geometry.AnalyticSubVolume)
GeometryClass(cbit.vcell.geometry.GeometryClass)
ImageException(cbit.image.ImageException)
GeometrySurfaceDescription(cbit.vcell.geometry.surface.GeometrySurfaceDescription)
Extent(org.vcell.util.Extent)
SurfaceClass(cbit.vcell.geometry.SurfaceClass)
ISize(org.vcell.util.ISize)
RegionInfo(cbit.vcell.geometry.RegionImage.RegionInfo)
VCImage(cbit.image.VCImage)
ASTNode(org.sbml.jsbml.ASTNode)
ImageSubVolume(cbit.vcell.geometry.ImageSubVolume)
SurfaceGeometricRegion(cbit.vcell.geometry.surface.SurfaceGeometricRegion)
SampledFieldGeometry(org.sbml.jsbml.ext.spatial.SampledFieldGeometry)
SpatialModelPlugin(org.sbml.jsbml.ext.spatial.SpatialModelPlugin)
InteriorPoint(org.sbml.jsbml.ext.spatial.InteriorPoint)
XMLStreamException(javax.xml.stream.XMLStreamException)
ImageException(cbit.image.ImageException)
SBMLException(org.sbml.jsbml.SBMLException)
AdjacentDomains(org.sbml.jsbml.ext.spatial.AdjacentDomains)
Geometry(cbit.vcell.geometry.Geometry)
AnalyticGeometry(org.sbml.jsbml.ext.spatial.AnalyticGeometry)
SampledFieldGeometry(org.sbml.jsbml.ext.spatial.SampledFieldGeometry)
Expression(cbit.vcell.parser.Expression)
Parameter(org.sbml.jsbml.Parameter)
Example 5 with SpatialParameterPlugin
use of org.sbml.jsbml.ext.spatial.SpatialParameterPlugin in project vcell by virtualcell.
the class SBMLExporter method addSpecies.
/**
* addSpecies comment.
* @throws XMLStreamException
* @throws SbmlException
*/
protected void addSpecies() throws XMLStreamException, SbmlException {
Model vcModel = vcBioModel.getModel();
SpeciesContext[] vcSpeciesContexts = vcModel.getSpeciesContexts();
for (int i = 0; i < vcSpeciesContexts.length; i++) {
org.sbml.jsbml.Species sbmlSpecies = sbmlModel.createSpecies();
sbmlSpecies.setId(vcSpeciesContexts[i].getName());
if (vcSpeciesContexts[i].getSbmlName() != null) {
sbmlSpecies.setName(vcSpeciesContexts[i].getSbmlName());
}
// Assuming that at this point, the compartment(s) for the model are already filled in.
Compartment compartment = sbmlModel.getCompartment(TokenMangler.mangleToSName(vcSpeciesContexts[i].getStructure().getName()));
if (compartment != null) {
sbmlSpecies.setCompartment(compartment.getId());
}
// 'hasSubstanceOnly' field will be 'true', since export to SBML is done by converting to initial amounts.
sbmlSpecies.setHasOnlySubstanceUnits(true);
// Get (and set) the initial concentration value
if (getSelectedSimContext() == null) {
throw new RuntimeException("No simcontext (application) specified; Cannot proceed.");
}
// Get the speciesContextSpec in the simContext corresponding to the 'speciesContext'; and extract its initial concentration value.
SpeciesContextSpec vcSpeciesContextsSpec = getSelectedSimContext().getReactionContext().getSpeciesContextSpec(vcSpeciesContexts[i]);
// since we are setting the substance units for species to 'molecule' or 'item', a unit that is originally in uM (or molecules/um2),
// we need to convert concentration from uM -> molecules/um3; this can be achieved by dividing by KMOLE.
// for now we don't do this here and defer to the mechanisms built into the SimContext to convert and set amount instead of concentration
// TO-DO: change to export either concentrations or amounts depending on the type of SimContext and setting
SpeciesContextSpecParameter initCount = vcSpeciesContextsSpec.getInitialCountParameter();
if (initCount.getExpression() == null) {
try {
getSelectedSimContext().convertSpeciesIniCondition(false);
} catch (MappingException e) {
// TODO Auto-generated catch block
e.printStackTrace();
throw new RuntimeException(e.getMessage());
} catch (PropertyVetoException e) {
// TODO Auto-generated catch block
e.printStackTrace();
throw new RuntimeException(e.getMessage());
}
}
Expression initCountExpr = initCount.getExpression();
try {
sbmlSpecies.setInitialAmount(initCountExpr.evaluateConstant());
} catch (cbit.vcell.parser.ExpressionException e) {
// If exporting to L2V3, if species concentration is not an expr with x, y, z or other species, add as InitialAssignment, else complain.
if (initCountExpr != null) {
if ((sbmlLevel == 2 && sbmlVersion >= 3) || (sbmlLevel > 2)) {
// L2V3 and above - add expression as init assignment
cbit.vcell.mapping.AssignmentRule vcellAs = getSelectedSimContext().getAssignmentRule(vcSpeciesContexts[i]);
if (vcellAs == null) {
// we don't create InitialAssignment for an AssignmentRule variable (Reference: L3V1 Section 4.8)
ASTNode initAssgnMathNode = getFormulaFromExpression(initCountExpr);
InitialAssignment initAssignment = sbmlModel.createInitialAssignment();
initAssignment.setSymbol(vcSpeciesContexts[i].getName());
initAssignment.setMath(initAssgnMathNode);
}
} else {
// L2V1 (or L1V2 also??)
// do nothing - we no longer support export to level <3
// // L2V1 (and L1V2?) and species is 'fixed' (constant), and not fn of x,y,z, other sp, add expr as assgn rule
// ASTNode assgnRuleMathNode = getFormulaFromExpression(initCountExpr);
// AssignmentRule assgnRule = sbmlModel.createAssignmentRule();
// assgnRule.setVariable(vcSpeciesContexts[i].getName());
// assgnRule.setMath(assgnRuleMathNode);
}
}
}
// Get (and set) the boundary condition value
boolean bBoundaryCondition = getBoundaryCondition(vcSpeciesContexts[i]);
sbmlSpecies.setBoundaryCondition(bBoundaryCondition);
// mandatory for L3, optional for L2
sbmlSpecies.setConstant(false);
// set species substance units as 'molecules' - same as defined in the model; irrespective of it is in surface or volume.
UnitDefinition unitDefn = getOrCreateSBMLUnit(sbmlExportSpec.getSubstanceUnits());
sbmlSpecies.setSubstanceUnits(unitDefn);
// need to do the following if exporting to SBML spatial
if (bSpatial) {
// Required for setting BoundaryConditions : structureMapping for vcSpeciesContext[i] & sbmlGeometry.coordinateComponents
StructureMapping sm = getSelectedSimContext().getGeometryContext().getStructureMapping(vcSpeciesContexts[i].getStructure());
SpatialModelPlugin mplugin = (SpatialModelPlugin) sbmlModel.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
org.sbml.jsbml.ext.spatial.Geometry sbmlGeometry = mplugin.getGeometry();
CoordinateComponent ccX = sbmlGeometry.getListOfCoordinateComponents().get(vcModel.getX().getName());
CoordinateComponent ccY = sbmlGeometry.getListOfCoordinateComponents().get(vcModel.getY().getName());
CoordinateComponent ccZ = sbmlGeometry.getListOfCoordinateComponents().get(vcModel.getZ().getName());
// add diffusion, advection, boundary condition parameters for species, if they exist
Parameter[] scsParams = vcSpeciesContextsSpec.getParameters();
if (scsParams != null) {
for (int j = 0; j < scsParams.length; j++) {
if (scsParams[j] != null) {
SpeciesContextSpecParameter scsParam = (SpeciesContextSpecParameter) scsParams[j];
// no need to add parameters in SBML for init conc or init count
int role = scsParam.getRole();
switch(role) {
case SpeciesContextSpec.ROLE_BoundaryValueXm:
{
break;
}
case SpeciesContextSpec.ROLE_BoundaryValueXp:
{
break;
}
case SpeciesContextSpec.ROLE_BoundaryValueYm:
{
break;
}
case SpeciesContextSpec.ROLE_BoundaryValueYp:
{
break;
}
case SpeciesContextSpec.ROLE_BoundaryValueZm:
{
break;
}
case SpeciesContextSpec.ROLE_BoundaryValueZp:
{
break;
}
case SpeciesContextSpec.ROLE_DiffusionRate:
{
break;
}
case SpeciesContextSpec.ROLE_InitialConcentration:
{
// done elsewhere??
continue;
// break;
}
case SpeciesContextSpec.ROLE_InitialCount:
{
// done elsewhere??
continue;
// break;
}
case SpeciesContextSpec.ROLE_VelocityX:
{
break;
}
case SpeciesContextSpec.ROLE_VelocityY:
{
break;
}
case SpeciesContextSpec.ROLE_VelocityZ:
{
break;
}
default:
{
throw new RuntimeException("SpeciesContext Specification parameter with role " + SpeciesContextSpec.RoleNames[role] + " not yet supported for SBML export");
}
}
// if diffusion is 0 && vel terms are not specified, boundary condition not present
if (vcSpeciesContextsSpec.isAdvecting() || vcSpeciesContextsSpec.isDiffusing()) {
Expression diffExpr = vcSpeciesContextsSpec.getDiffusionParameter().getExpression();
boolean bDiffExprNull = (diffExpr == null);
boolean bDiffExprIsZero = false;
if (!bDiffExprNull && diffExpr.isNumeric()) {
try {
bDiffExprIsZero = (diffExpr.evaluateConstant() == 0.0);
} catch (Exception e) {
e.printStackTrace(System.out);
throw new RuntimeException("Unable to evalute numeric value of diffusion parameter for speciesContext '" + vcSpeciesContexts[i] + "'.");
}
}
boolean bDiffusionZero = (bDiffExprNull || bDiffExprIsZero);
Expression velX_Expr = vcSpeciesContextsSpec.getVelocityXParameter().getExpression();
SpatialQuantity[] velX_Quantities = vcSpeciesContextsSpec.getVelocityQuantities(QuantityComponent.X);
boolean bVelX_ExprIsNull = (velX_Expr == null && velX_Quantities.length == 0);
Expression velY_Expr = vcSpeciesContextsSpec.getVelocityYParameter().getExpression();
SpatialQuantity[] velY_Quantities = vcSpeciesContextsSpec.getVelocityQuantities(QuantityComponent.Y);
boolean bVelY_ExprIsNull = (velY_Expr == null && velY_Quantities.length == 0);
Expression velZ_Expr = vcSpeciesContextsSpec.getVelocityZParameter().getExpression();
SpatialQuantity[] velZ_Quantities = vcSpeciesContextsSpec.getVelocityQuantities(QuantityComponent.Z);
boolean bVelZ_ExprIsNull = (velZ_Expr == null && velZ_Quantities.length == 0);
boolean bAdvectionNull = (bVelX_ExprIsNull && bVelY_ExprIsNull && bVelZ_ExprIsNull);
if (bDiffusionZero && bAdvectionNull) {
continue;
}
}
// for example, if scsParam is BC_Zm and if coordinateComponent 'ccZ' is null, no SBML parameter should be created for BC_Zm
if ((((role == SpeciesContextSpec.ROLE_BoundaryValueXm) || (role == SpeciesContextSpec.ROLE_BoundaryValueXp)) && (ccX == null)) || (((role == SpeciesContextSpec.ROLE_BoundaryValueYm) || (role == SpeciesContextSpec.ROLE_BoundaryValueYp)) && (ccY == null)) || (((role == SpeciesContextSpec.ROLE_BoundaryValueZm) || (role == SpeciesContextSpec.ROLE_BoundaryValueZp)) && (ccZ == null))) {
continue;
}
org.sbml.jsbml.Parameter sbmlParam = createSBMLParamFromSpeciesParam(vcSpeciesContexts[i], (SpeciesContextSpecParameter) scsParams[j]);
if (sbmlParam != null) {
BoundaryConditionType vcBCType_Xm = vcSelectedSimContext.getGeometryContext().getStructureMapping(vcSpeciesContexts[i].getStructure()).getBoundaryConditionTypeXm();
BoundaryConditionType vcBCType_Xp = vcSelectedSimContext.getGeometryContext().getStructureMapping(vcSpeciesContexts[i].getStructure()).getBoundaryConditionTypeXp();
BoundaryConditionType vcBCType_Ym = vcSelectedSimContext.getGeometryContext().getStructureMapping(vcSpeciesContexts[i].getStructure()).getBoundaryConditionTypeYm();
BoundaryConditionType vcBCType_Yp = vcSelectedSimContext.getGeometryContext().getStructureMapping(vcSpeciesContexts[i].getStructure()).getBoundaryConditionTypeYp();
BoundaryConditionType vcBCType_Zm = vcSelectedSimContext.getGeometryContext().getStructureMapping(vcSpeciesContexts[i].getStructure()).getBoundaryConditionTypeZm();
BoundaryConditionType vcBCType_Zp = vcSelectedSimContext.getGeometryContext().getStructureMapping(vcSpeciesContexts[i].getStructure()).getBoundaryConditionTypeZp();
SpatialParameterPlugin spplugin = (SpatialParameterPlugin) sbmlParam.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
if (role == SpeciesContextSpec.ROLE_DiffusionRate) {
// set diffusionCoefficient element in SpatialParameterPlugin for param
DiffusionCoefficient sbmlDiffCoeff = new DiffusionCoefficient();
sbmlDiffCoeff.setVariable(vcSpeciesContexts[i].getName());
sbmlDiffCoeff.setDiffusionKind(DiffusionKind.isotropic);
sbmlDiffCoeff.setSpeciesRef(vcSpeciesContexts[i].getName());
spplugin.setParamType(sbmlDiffCoeff);
}
if ((role == SpeciesContextSpec.ROLE_BoundaryValueXm) && (ccX != null)) {
// set BoundaryCondn Xm element in SpatialParameterPlugin for param
BoundaryCondition sbmlBCXm = new BoundaryCondition();
spplugin.setParamType(sbmlBCXm);
sbmlBCXm.setType(getBoundaryConditionKind(vcBCType_Xm));
sbmlBCXm.setVariable(vcSpeciesContexts[i].getName());
sbmlBCXm.setCoordinateBoundary(ccX.getBoundaryMinimum().getId());
}
if ((role == SpeciesContextSpec.ROLE_BoundaryValueXp) && (ccX != null)) {
// set BoundaryCondn Xp element in SpatialParameterPlugin for param
BoundaryCondition sbmlBCXp = new BoundaryCondition();
spplugin.setParamType(sbmlBCXp);
sbmlBCXp.setType(getBoundaryConditionKind(vcBCType_Xp));
sbmlBCXp.setVariable(vcSpeciesContexts[i].getName());
// sbmlBCXp.setType(sm.getBoundaryConditionTypeXp().boundaryTypeStringValue());
sbmlBCXp.setCoordinateBoundary(ccX.getBoundaryMaximum().getId());
}
if ((role == SpeciesContextSpec.ROLE_BoundaryValueYm) && (ccY != null)) {
// set BoundaryCondn Ym element in SpatialParameterPlugin for param
BoundaryCondition sbmlBCYm = new BoundaryCondition();
spplugin.setParamType(sbmlBCYm);
sbmlBCYm.setType(getBoundaryConditionKind(vcBCType_Yp));
sbmlBCYm.setVariable(vcSpeciesContexts[i].getName());
// sbmlBCYm.setType(sm.getBoundaryConditionTypeYm().boundaryTypeStringValue());
sbmlBCYm.setCoordinateBoundary(ccY.getBoundaryMinimum().getId());
}
if ((role == SpeciesContextSpec.ROLE_BoundaryValueYp) && (ccY != null)) {
// set BoundaryCondn Yp element in SpatialParameterPlugin for param
BoundaryCondition sbmlBCYp = new BoundaryCondition();
spplugin.setParamType(sbmlBCYp);
sbmlBCYp.setType(getBoundaryConditionKind(vcBCType_Yp));
sbmlBCYp.setVariable(vcSpeciesContexts[i].getName());
// sbmlBCYp.setType(sm.getBoundaryConditionTypeYp().boundaryTypeStringValue());
sbmlBCYp.setCoordinateBoundary(ccY.getBoundaryMaximum().getId());
}
if ((role == SpeciesContextSpec.ROLE_BoundaryValueZm) && (ccZ != null)) {
// set BoundaryCondn Zm element in SpatialParameterPlugin for param
BoundaryCondition sbmlBCZm = new BoundaryCondition();
spplugin.setParamType(sbmlBCZm);
sbmlBCZm.setType(getBoundaryConditionKind(vcBCType_Zm));
sbmlBCZm.setVariable(vcSpeciesContexts[i].getName());
// sbmlBCZm.setType(sm.getBoundaryConditionTypeZm().boundaryTypeStringValue());
sbmlBCZm.setCoordinateBoundary(ccZ.getBoundaryMinimum().getId());
}
if ((role == SpeciesContextSpec.ROLE_BoundaryValueZp) && (ccZ != null)) {
// set BoundaryCondn Zp element in SpatialParameterPlugin for param
BoundaryCondition sbmlBCZp = new BoundaryCondition();
spplugin.setParamType(sbmlBCZp);
sbmlBCZp.setType(getBoundaryConditionKind(vcBCType_Zp));
sbmlBCZp.setVariable(vcSpeciesContexts[i].getName());
// sbmlBCZp.setType(sm.getBoundaryConditionTypeZp().boundaryTypeStringValue());
sbmlBCZp.setCoordinateBoundary(ccZ.getBoundaryMaximum().getId());
}
if (role == SpeciesContextSpec.ROLE_VelocityX) {
// set advectionCoeff X element in SpatialParameterPlugin for param
AdvectionCoefficient sbmlAdvCoeffX = new AdvectionCoefficient();
spplugin.setParamType(sbmlAdvCoeffX);
sbmlAdvCoeffX.setVariable(vcSpeciesContexts[i].getName());
sbmlAdvCoeffX.setCoordinate(CoordinateKind.cartesianX);
}
if (role == SpeciesContextSpec.ROLE_VelocityY) {
// set advectionCoeff Y element in SpatialParameterPlugin for param
AdvectionCoefficient sbmlAdvCoeffY = new AdvectionCoefficient();
spplugin.setParamType(sbmlAdvCoeffY);
sbmlAdvCoeffY.setVariable(vcSpeciesContexts[i].getName());
sbmlAdvCoeffY.setCoordinate(CoordinateKind.cartesianY);
}
if (role == SpeciesContextSpec.ROLE_VelocityZ) {
// set advectionCoeff Z element in SpatialParameterPlugin for param
AdvectionCoefficient sbmlAdvCoeffZ = new AdvectionCoefficient();
spplugin.setParamType(sbmlAdvCoeffZ);
sbmlAdvCoeffZ.setVariable(vcSpeciesContexts[i].getName());
sbmlAdvCoeffZ.setCoordinate(CoordinateKind.cartesianZ);
}
}
// if sbmlParam != null
}
// if scsParams[j] != null
}
// end for scsParams
}
// end scsParams != null
}
// end if (bSpatial)
// Add the common name of species to annotation, and add an annotation element to the species.
// This is required later while trying to read in fluxes ...
// new Element(XMLTags.VCellRelatedInfoTag, sbml_vcml_ns);
Element sbmlImportRelatedElement = null;
// Element speciesElement = new Element(XMLTags.SpeciesTag, sbml_vcml_ns);
// speciesElement.setAttribute(XMLTags.NameAttrTag, TokenMangler.mangleToSName(vcSpeciesContexts[i].getSpecies().getCommonName()));
// sbmlImportRelatedElement.addContent(speciesElement);
// Get RDF annotation for species from SBMLAnnotationUtils
sbmlAnnotationUtil.writeAnnotation(vcSpeciesContexts[i].getSpecies(), sbmlSpecies, sbmlImportRelatedElement);
// Now set notes,
sbmlAnnotationUtil.writeNotes(vcSpeciesContexts[i].getSpecies(), sbmlSpecies);
}
}
Also used :
Compartment(org.sbml.jsbml.Compartment)
Element(org.jdom.Element)
BoundaryConditionType(cbit.vcell.math.BoundaryConditionType)
SpatialParameterPlugin(org.sbml.jsbml.ext.spatial.SpatialParameterPlugin)
SpeciesContext(cbit.vcell.model.SpeciesContext)
SpeciesContextSpec(cbit.vcell.mapping.SpeciesContextSpec)
StructureMapping(cbit.vcell.mapping.StructureMapping)
MappingException(cbit.vcell.mapping.MappingException)
ASTNode(org.sbml.jsbml.ASTNode)
SpatialQuantity(cbit.vcell.mapping.spatial.SpatialObject.SpatialQuantity)
VCUnitDefinition(cbit.vcell.units.VCUnitDefinition)
UnitDefinition(org.sbml.jsbml.UnitDefinition)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
CoordinateComponent(org.sbml.jsbml.ext.spatial.CoordinateComponent)
AdvectionCoefficient(org.sbml.jsbml.ext.spatial.AdvectionCoefficient)
AssignmentRule(org.sbml.jsbml.AssignmentRule)
SpatialModelPlugin(org.sbml.jsbml.ext.spatial.SpatialModelPlugin)
ExpressionException(cbit.vcell.parser.ExpressionException)
DiffusionCoefficient(org.sbml.jsbml.ext.spatial.DiffusionCoefficient)
InteriorPoint(org.sbml.jsbml.ext.spatial.InteriorPoint)
XMLStreamException(javax.xml.stream.XMLStreamException)
MatrixException(cbit.vcell.matrix.MatrixException)
SbmlException(org.vcell.sbml.SbmlException)
ParseException(org.sbml.jsbml.text.parser.ParseException)
RuntimeCryptoException(org.bouncycastle.crypto.RuntimeCryptoException)
XmlParseException(cbit.vcell.xml.XmlParseException)
MappingException(cbit.vcell.mapping.MappingException)
PropertyVetoException(java.beans.PropertyVetoException)
ImageException(cbit.image.ImageException)
SBMLException(org.sbml.jsbml.SBMLException)
ModelException(cbit.vcell.model.ModelException)
ExpressionException(cbit.vcell.parser.ExpressionException)
MathException(cbit.vcell.math.MathException)
PropertyVetoException(java.beans.PropertyVetoException)
InitialAssignment(org.sbml.jsbml.InitialAssignment)
Expression(cbit.vcell.parser.Expression)
BoundaryCondition(org.sbml.jsbml.ext.spatial.BoundaryCondition)
Model(cbit.vcell.model.Model)
BioModel(cbit.vcell.biomodel.BioModel)
StructureMappingParameter(cbit.vcell.mapping.StructureMapping.StructureMappingParameter)
Parameter(cbit.vcell.model.Parameter)
KineticsParameter(cbit.vcell.model.Kinetics.KineticsParameter)
ModelParameter(cbit.vcell.model.Model.ModelParameter)
SpeciesContextSpecParameter(cbit.vcell.mapping.SpeciesContextSpec.SpeciesContextSpecParameter)
LocalParameter(cbit.vcell.mapping.ParameterContext.LocalParameter)
Aggregations
Expression (cbit.vcell.parser.Expression)6
CoordinateComponent (org.sbml.jsbml.ext.spatial.CoordinateComponent)6
InteriorPoint (org.sbml.jsbml.ext.spatial.InteriorPoint)6
SpatialParameterPlugin (org.sbml.jsbml.ext.spatial.SpatialParameterPlugin)6
BioModel (cbit.vcell.biomodel.BioModel)5
StructureMapping (cbit.vcell.mapping.StructureMapping)5
Model (cbit.vcell.model.Model)5
SpeciesContext (cbit.vcell.model.SpeciesContext)5
VCUnitDefinition (cbit.vcell.units.VCUnitDefinition)4
XMLStreamException (javax.xml.stream.XMLStreamException)4
Compartment (org.sbml.jsbml.Compartment)4
Parameter (org.sbml.jsbml.Parameter)4
VCImage (cbit.image.VCImage)3
AnalyticSubVolume (cbit.vcell.geometry.AnalyticSubVolume)3
Geometry (cbit.vcell.geometry.Geometry)3
GeometryClass (cbit.vcell.geometry.GeometryClass)3
ImageSubVolume (cbit.vcell.geometry.ImageSubVolume)3
RegionInfo (cbit.vcell.geometry.RegionImage.RegionInfo)3
SubVolume (cbit.vcell.geometry.SubVolume)3
SurfaceClass (cbit.vcell.geometry.SurfaceClass)3
