use of org.sbml.jsbml.ext.spatial.CompartmentMapping 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);
}
}
use of org.sbml.jsbml.ext.spatial.CompartmentMapping 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());
}
}
}
use of org.sbml.jsbml.ext.spatial.CompartmentMapping in project vcell by virtualcell.
the class SBMLExporter method addGeometry.
private void addGeometry() throws SbmlException {
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.createGeometry();
sbmlGeometry.setCoordinateSystem(GeometryKind.cartesian);
sbmlGeometry.setSpatialId("vcell");
Geometry vcGeometry = getSelectedSimContext().getGeometry();
Model vcModel = getSelectedSimContext().getModel();
//
// 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 xComp = sbmlGeometry.createCoordinateComponent();
xComp.setSpatialId(vcModel.getX().getName());
xComp.setType(CoordinateKind.cartesianX);
final UnitDefinition sbmlUnitDef_length = getOrCreateSBMLUnit(vcModel.getUnitSystem().getLengthUnit());
xComp.setUnits(sbmlUnitDef_length);
Boundary minX = new Boundary();
xComp.setBoundaryMinimum(minX);
minX.setSpatialId("Xmin");
minX.setValue(vcOrigin.getX());
Boundary maxX = new Boundary();
xComp.setBoundaryMaximum(maxX);
maxX.setSpatialId("Xmax");
maxX.setValue(vcOrigin.getX() + (vcExtent.getX()));
org.sbml.jsbml.Parameter pX = sbmlModel.createParameter();
pX.setId(vcModel.getX().getName());
pX.setValue(0.0);
pX.setConstant(false);
pX.setUnits(sbmlUnitDef_length);
SpatialParameterPlugin spPluginPx = (SpatialParameterPlugin) pX.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
SpatialSymbolReference spSymRefPx = new SpatialSymbolReference();
spPluginPx.setParamType(spSymRefPx);
spSymRefPx.setSpatialRef(xComp.getSpatialId());
// add y coordinate component
if (dimension == 2 || dimension == 3) {
CoordinateComponent yComp = sbmlGeometry.createCoordinateComponent();
yComp.setSpatialId(vcModel.getY().getName());
yComp.setType(CoordinateKind.cartesianY);
yComp.setUnits(sbmlUnitDef_length);
Boundary minY = new Boundary();
yComp.setBoundaryMinimum(minY);
minY.setSpatialId("Ymin");
minY.setValue(vcOrigin.getY());
Boundary maxY = new Boundary();
yComp.setBoundaryMaximum(maxY);
maxY.setSpatialId("Ymax");
maxY.setValue(vcOrigin.getY() + (vcExtent.getY()));
org.sbml.jsbml.Parameter pY = sbmlModel.createParameter();
pY.setId(vcModel.getY().getName());
pY.setValue(0.0);
pY.setConstant(false);
pY.setUnits(sbmlUnitDef_length);
SpatialParameterPlugin spPluginPy = (SpatialParameterPlugin) pY.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
SpatialSymbolReference spSymRefPy = new SpatialSymbolReference();
spPluginPy.setParamType(spSymRefPy);
spSymRefPy.setSpatialRef(yComp.getSpatialId());
}
// add z coordinate component
if (dimension == 3) {
CoordinateComponent zComp = sbmlGeometry.createCoordinateComponent();
zComp.setSpatialId(vcModel.getZ().getName());
zComp.setType(CoordinateKind.cartesianZ);
zComp.setUnits(sbmlUnitDef_length);
Boundary minZ = new Boundary();
zComp.setBoundaryMinimum(minZ);
minZ.setSpatialId("Zmin");
minZ.setValue(vcOrigin.getZ());
Boundary maxZ = new Boundary();
zComp.setBoundaryMaximum(maxZ);
maxZ.setSpatialId("Zmax");
maxZ.setValue(vcOrigin.getZ() + (vcExtent.getZ()));
org.sbml.jsbml.Parameter pZ = sbmlModel.createParameter();
pZ.setId(vcModel.getZ().getName());
pZ.setValue(0.0);
pZ.setConstant(false);
pZ.setUnits(sbmlUnitDef_length);
SpatialParameterPlugin spPluginPz = (SpatialParameterPlugin) pZ.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
SpatialSymbolReference spSymRefPz = new SpatialSymbolReference();
spPluginPz.setParamType(spSymRefPz);
spSymRefPz.setSpatialRef(zComp.getSpatialId());
}
//
// list of compartmentMappings : VC structureMappings
//
GeometryContext vcGeoContext = getSelectedSimContext().getGeometryContext();
StructureMapping[] vcStrucMappings = vcGeoContext.getStructureMappings();
for (int i = 0; i < vcStrucMappings.length; i++) {
StructureMapping vcStructMapping = vcStrucMappings[i];
String structName = vcStructMapping.getStructure().getName();
Compartment comp = sbmlModel.getCompartment(TokenMangler.mangleToSName(structName));
SpatialCompartmentPlugin cplugin = (SpatialCompartmentPlugin) comp.getPlugin(SBMLUtils.SBML_SPATIAL_NS_PREFIX);
GeometryClass gc = vcStructMapping.getGeometryClass();
if (!goodPointer(gc, GeometryClass.class, structName)) {
continue;
}
CompartmentMapping compMapping = new CompartmentMapping();
cplugin.setCompartmentMapping(compMapping);
String geomClassName = gc.getName();
String id = TokenMangler.mangleToSName(geomClassName + structName);
compMapping.setSpatialId(id);
compMapping.setDomainType(TokenMangler.mangleToSName(DOMAIN_TYPE_PREFIX + geomClassName));
try {
StructureMappingParameter usp = vcStructMapping.getUnitSizeParameter();
Expression e = usp.getExpression();
if (goodPointer(e, Expression.class, id)) {
compMapping.setUnitSize(e.evaluateConstant());
}
} catch (ExpressionException e) {
e.printStackTrace(System.out);
throw new RuntimeException("Unable to create compartment mapping for structureMapping '" + compMapping.getId() + "' : " + e.getMessage());
}
}
//
// list of domain types : subvolumes and surface classes from VC
//
boolean bAnyAnalyticSubvolumes = false;
boolean bAnyImageSubvolumes = false;
boolean bAnyCSGSubvolumes = false;
GeometryClass[] vcGeomClasses = vcGeometry.getGeometryClasses();
int numSubVols = 0;
for (int i = 0; i < vcGeomClasses.length; i++) {
DomainType domainType = sbmlGeometry.createDomainType();
domainType.setSpatialId(DOMAIN_TYPE_PREFIX + vcGeomClasses[i].getName());
if (vcGeomClasses[i] instanceof SubVolume) {
if (((SubVolume) vcGeomClasses[i]) instanceof AnalyticSubVolume) {
bAnyAnalyticSubvolumes = true;
} else if (((SubVolume) vcGeomClasses[i]) instanceof ImageSubVolume) {
bAnyImageSubvolumes = true;
} else if (((SubVolume) vcGeomClasses[i]) instanceof CSGObject) {
bAnyCSGSubvolumes = true;
}
domainType.setSpatialDimensions(3);
numSubVols++;
} 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();
for (int i = 0; i < vcGeometricRegions.length; i++) {
// domains
Domain domain = sbmlGeometry.createDomain();
domain.setSpatialId(vcGeometricRegions[i].getName());
if (vcGeometricRegions[i] instanceof VolumeGeometricRegion) {
domain.setDomainType(DOMAIN_TYPE_PREFIX + ((VolumeGeometricRegion) vcGeometricRegions[i]).getSubVolume().getName());
//
// get a list of interior points ... should probably use the distance map to find a point
// furthest inside (or several points associated with the morphological skeleton).
//
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(DOMAIN_TYPE_PREFIX + surfaceClass.getName());
// adjacent domains : 2 adjacent domain objects for each surfaceClass in VC.
// adjacent domain 1
GeometricRegion adjGeomRegion0 = vcSurfaceGeomReg.getAdjacentGeometricRegions()[0];
GeometricRegion adjGeomRegion1 = vcSurfaceGeomReg.getAdjacentGeometricRegions()[1];
AdjacentDomains adjDomain = new AdjacentDomains();
adjDomain.setSpatialId(TokenMangler.mangleToSName(vcSurfaceGeomReg.getName() + "_" + adjGeomRegion0.getName()));
adjDomain.setDomain1(vcSurfaceGeomReg.getName());
adjDomain.setDomain2(adjGeomRegion0.getName());
sbmlGeometry.addAdjacentDomain(adjDomain);
// adj domain 2
adjDomain = new AdjacentDomains();
adjDomain.setSpatialId(TokenMangler.mangleToSName(vcSurfaceGeomReg.getName() + "_" + adjGeomRegion1.getName()));
adjDomain.setDomain1(vcSurfaceGeomReg.getName());
adjDomain.setDomain2(adjGeomRegion1.getName());
sbmlGeometry.addAdjacentDomain(adjDomain);
}
}
//
if (bAnyAnalyticSubvolumes && !bAnyImageSubvolumes && !bAnyCSGSubvolumes) {
AnalyticGeometry sbmlAnalyticGeomDefinition = sbmlGeometry.createAnalyticGeometry();
sbmlAnalyticGeomDefinition.setSpatialId(TokenMangler.mangleToSName("Analytic_" + vcGeometry.getName()));
sbmlAnalyticGeomDefinition.setIsActive(true);
for (int i = 0; i < vcGeomClasses.length; i++) {
if (vcGeomClasses[i] instanceof AnalyticSubVolume) {
AnalyticVolume analyticVol = sbmlAnalyticGeomDefinition.createAnalyticVolume();
analyticVol.setSpatialId(vcGeomClasses[i].getName());
analyticVol.setDomainType(DOMAIN_TYPE_PREFIX + vcGeomClasses[i].getName());
analyticVol.setFunctionType(FunctionKind.layered);
analyticVol.setOrdinal(numSubVols - (i + 1));
Expression expr = ((AnalyticSubVolume) vcGeomClasses[i]).getExpression();
try {
String mathMLStr = ExpressionMathMLPrinter.getMathML(expr, true, MathType.BOOLEAN);
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());
}
}
}
}
//
if (!bAnyAnalyticSubvolumes && !bAnyImageSubvolumes && bAnyCSGSubvolumes) {
CSGeometry sbmlCSGeomDefinition = new CSGeometry();
sbmlGeometry.addGeometryDefinition(sbmlCSGeomDefinition);
sbmlCSGeomDefinition.setSpatialId(TokenMangler.mangleToSName("CSG_" + vcGeometry.getName()));
for (int i = 0; i < vcGeomClasses.length; i++) {
if (vcGeomClasses[i] instanceof CSGObject) {
CSGObject vcellCSGObject = (CSGObject) vcGeomClasses[i];
org.sbml.jsbml.ext.spatial.CSGObject sbmlCSGObject = new org.sbml.jsbml.ext.spatial.CSGObject();
sbmlCSGeomDefinition.addCSGObject(sbmlCSGObject);
sbmlCSGObject.setSpatialId(vcellCSGObject.getName());
sbmlCSGObject.setDomainType(DOMAIN_TYPE_PREFIX + vcellCSGObject.getName());
// the ordinal should the the least for the default/background subVolume
sbmlCSGObject.setOrdinal(numSubVols - (i + 1));
org.sbml.jsbml.ext.spatial.CSGNode sbmlcsgNode = getSBMLCSGNode(vcellCSGObject.getRoot());
sbmlCSGObject.setCSGNode(sbmlcsgNode);
}
}
}
//
// add "Segmented" and "DistanceMap" SampledField Geometries
//
final boolean bVCGeometryIsImage = bAnyImageSubvolumes && !bAnyAnalyticSubvolumes && !bAnyCSGSubvolumes;
// 55if (bAnyAnalyticSubvolumes || bAnyImageSubvolumes || bAnyCSGSubvolumes){
if (bVCGeometryIsImage) {
//
// add "Segmented" SampledFieldGeometry
//
SampledFieldGeometry segmentedImageSampledFieldGeometry = sbmlGeometry.createSampledFieldGeometry();
segmentedImageSampledFieldGeometry.setSpatialId(TokenMangler.mangleToSName("SegmentedImage_" + vcGeometry.getName()));
segmentedImageSampledFieldGeometry.setIsActive(true);
// 55boolean bVCGeometryIsImage = bAnyImageSubvolumes && !bAnyAnalyticSubvolumes && !bAnyCSGSubvolumes;
Geometry vcImageGeometry = null;
{
if (bVCGeometryIsImage) {
// make a resampled image;
if (dimension == 3) {
try {
ISize imageSize = vcGeometry.getGeometrySpec().getDefaultSampledImageSize();
vcGeometry.precomputeAll(new GeometryThumbnailImageFactoryAWT());
vcImageGeometry = RayCaster.resampleGeometry(new GeometryThumbnailImageFactoryAWT(), vcGeometry, imageSize);
} catch (Throwable e) {
e.printStackTrace(System.out);
throw new RuntimeException("Unable to convert the original analytic or constructed solid geometry to image-based geometry : " + e.getMessage());
}
} else {
try {
vcGeometry.precomputeAll(new GeometryThumbnailImageFactoryAWT(), true, false);
GeometrySpec origGeometrySpec = vcGeometry.getGeometrySpec();
VCImage newVCImage = origGeometrySpec.getSampledImage().getCurrentValue();
//
// construct the new geometry with the sampled VCImage.
//
vcImageGeometry = new Geometry(vcGeometry.getName() + "_asImage", newVCImage);
vcImageGeometry.getGeometrySpec().setExtent(vcGeometry.getExtent());
vcImageGeometry.getGeometrySpec().setOrigin(vcGeometry.getOrigin());
vcImageGeometry.setDescription(vcGeometry.getDescription());
vcImageGeometry.getGeometrySurfaceDescription().setFilterCutoffFrequency(vcGeometry.getGeometrySurfaceDescription().getFilterCutoffFrequency());
vcImageGeometry.precomputeAll(new GeometryThumbnailImageFactoryAWT(), true, true);
} catch (Exception e) {
e.printStackTrace(System.out);
throw new RuntimeException("Unable to convert the original analytic or constructed solid geometry to image-based geometry : " + e.getMessage());
}
}
GeometryClass[] vcImageGeomClasses = vcImageGeometry.getGeometryClasses();
for (int j = 0; j < vcImageGeomClasses.length; j++) {
if (vcImageGeomClasses[j] instanceof ImageSubVolume) {
SampledVolume sampledVol = segmentedImageSampledFieldGeometry.createSampledVolume();
sampledVol.setSpatialId(vcGeomClasses[j].getName());
sampledVol.setDomainType(DOMAIN_TYPE_PREFIX + vcGeomClasses[j].getName());
sampledVol.setSampledValue(((ImageSubVolume) vcImageGeomClasses[j]).getPixelValue());
}
}
// add sampledField to sampledFieldGeometry
SampledField segmentedImageSampledField = sbmlGeometry.createSampledField();
VCImage vcImage = vcImageGeometry.getGeometrySpec().getImage();
segmentedImageSampledField.setSpatialId("SegmentedImageSampledField");
segmentedImageSampledField.setNumSamples1(vcImage.getNumX());
segmentedImageSampledField.setNumSamples2(vcImage.getNumY());
segmentedImageSampledField.setNumSamples3(vcImage.getNumZ());
segmentedImageSampledField.setInterpolationType(InterpolationKind.nearestneighbor);
segmentedImageSampledField.setCompression(CompressionKind.uncompressed);
segmentedImageSampledField.setDataType(DataKind.UINT8);
segmentedImageSampledFieldGeometry.setSampledField(segmentedImageSampledField.getId());
try {
byte[] vcImagePixelsBytes = vcImage.getPixels();
// imageData.setCompression("");
StringBuffer sb = new StringBuffer();
for (int i = 0; i < vcImagePixelsBytes.length; i++) {
int uint8_sample = ((int) vcImagePixelsBytes[i]) & 0xff;
sb.append(uint8_sample + " ");
}
segmentedImageSampledField.setSamplesLength(vcImage.getNumXYZ());
segmentedImageSampledField.setSamples(sb.toString().trim());
} catch (ImageException e) {
e.printStackTrace(System.out);
throw new RuntimeException("Unable to export image from VCell to SBML : " + e.getMessage());
}
}
}
/*
//
// add "DistanceMap" SampledFieldGeometry if there are exactly two subvolumes (else need more fields) and geometry is 3d.
//
if (numSubVols==2 && dimension == 3){
SignedDistanceMap[] distanceMaps = null;
try {
distanceMaps = DistanceMapGenerator.computeDistanceMaps(vcImageGeometry, vcImageGeometry.getGeometrySpec().getImage(), false, false);
} catch (ImageException e) {
e.printStackTrace(System.out);
System.err.println("Unable to export distance map sampled field from VCell to SBML : " + e.getMessage());
// throw new RuntimeException("Unable to export distance map sampled field from VCell to SBML : " + e.getMessage());
// don't want to throw an exception and stop export because distance map geometry couldn't be exported.
// just 'return' from method (since this is the last thing that is being done in this method).
return;
}
//
// the two distanceMaps should be redundant (one is negation of the other) ... so choose first one for field.
//
double[] signedDistances = distanceMaps[0].getSignedDistances();
SampledFieldGeometry distanceMapSampledFieldGeometry = sbmlGeometry.createSampledFieldGeometry();
distanceMapSampledFieldGeometry.setSpatialId(TokenMangler.mangleToSName("DistanceMap_"+vcGeometry.getName()));
SampledField distanceMapSampledField = distanceMapSampledFieldGeometry.createSampledField();
distanceMapSampledField.setSpatialId("DistanceMapSampledField");
distanceMapSampledField.setNumSamples1(distanceMaps[0].getSamplesX().length);
distanceMapSampledField.setNumSamples2(distanceMaps[0].getSamplesY().length);
distanceMapSampledField.setNumSamples3(distanceMaps[0].getSamplesZ().length);
distanceMapSampledField.setDataType("real");
System.err.println("do we need distanceMapSampleField.setDataType()?");
distanceMapSampledField.setInterpolationType("linear");
ImageData distanceMapImageData = distanceMapSampledField.createImageData();
distanceMapImageData.setDataType("int16");
System.err.println("should be:\n distanceMapImageData.setDataType(\"float32\")");
// distanceMapImageData.setCompression("");
double maxAbsValue = 0;
for (int i = 0; i < signedDistances.length; i++) {
maxAbsValue = Math.max(maxAbsValue,Math.abs(signedDistances[i]));
}
if (maxAbsValue==0.0){
throw new RuntimeException("computed distance map all zeros");
}
double scale = (Short.MAX_VALUE-1)/maxAbsValue;
int[] scaledIntegerDistanceMap = new int[signedDistances.length];
for (int i = 0; i < signedDistances.length; i++) {
scaledIntegerDistanceMap[i] = (int)(scale * signedDistances[i]);
}
distanceMapImageData.setSamples(scaledIntegerDistanceMap, signedDistances.length);
System.err.println("should be:\n distanceMapImageData.setSamples((float[])signedDistances,signedDistances.length)");
SampledVolume sampledVol = distanceMapSampledFieldGeometry.createSampledVolume();
sampledVol.setSpatialId(distanceMaps[0].getInsideSubvolumeName());
sampledVol.setDomainType(DOMAIN_TYPE_PREFIX+distanceMaps[0].getInsideSubvolumeName());
sampledVol.setSampledValue(255);
sampledVol = distanceMapSampledFieldGeometry.createSampledVolume();
sampledVol.setSpatialId(distanceMaps[1].getInsideSubvolumeName());
sampledVol.setDomainType(DOMAIN_TYPE_PREFIX+distanceMaps[1].getInsideSubvolumeName());
sampledVol.setSampledValue(1);
}
*/
}
//
// add "SurfaceMesh" ParametricGeometry
//
// if (bAnyAnalyticSubvolumes || bAnyImageSubvolumes || bAnyCSGSubvolumes){
// ParametricGeometry sbmlParametricGeomDefinition = sbmlGeometry.createParametricGeometry();
// sbmlParametricGeomDefinition.setSpatialId(TokenMangler.mangleToSName("SurfaceMesh_"+vcGeometry.getName()));
// xxxx
// }
}
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