use of cbit.vcell.render.Vect3d in project vcell by virtualcell.
the class CSGObjectPropertiesPanel method stringToVect3d.
static Vect3d stringToVect3d(String str) {
StringTokenizer st = new StringTokenizer(str, ", ");
double x = Double.parseDouble(st.nextToken());
double y = Double.parseDouble(st.nextToken());
double z = Double.parseDouble(st.nextToken());
Vect3d vect3d = new Vect3d(x, y, z);
return vect3d;
}
use of cbit.vcell.render.Vect3d in project vcell by virtualcell.
the class FiniteVolumeFileWriter method writeChomboSpec.
private void writeChomboSpec() throws ExpressionException, SolverException, PropertyVetoException, ClassNotFoundException, IOException, GeometryException, ImageException {
if (!bChomboSolver) {
return;
}
GeometrySpec geometrySpec = resampledGeometry.getGeometrySpec();
int dimension = geometrySpec.getDimension();
if (dimension == 1) {
throw new SolverException(simTask.getSimulation().getSolverTaskDescription().getSolverDescription().getDisplayLabel() + " is only supported for simulations with 2D or 3D geometry.");
}
Simulation simulation = getSimulationTask().getSimulation();
SolverTaskDescription solverTaskDescription = simulation.getSolverTaskDescription();
ChomboSolverSpec chomboSolverSpec = solverTaskDescription.getChomboSolverSpec();
printWriter.println(FVInputFileKeyword.CHOMBO_SPEC_BEGIN);
printWriter.println(FVInputFileKeyword.DIMENSION + " " + geometrySpec.getDimension());
Extent extent = geometrySpec.getExtent();
Origin origin = geometrySpec.getOrigin();
ISize isize = simulation.getMeshSpecification().getSamplingSize();
switch(geometrySpec.getDimension()) {
case 2:
printWriter.println(FVInputFileKeyword.MESH_SIZE + " " + isize.getX() + " " + isize.getY());
printWriter.println(FVInputFileKeyword.DOMAIN_SIZE + " " + extent.getX() + " " + extent.getY());
printWriter.println(FVInputFileKeyword.DOMAIN_ORIGIN + " " + origin.getX() + " " + origin.getY());
break;
case 3:
printWriter.println(FVInputFileKeyword.MESH_SIZE + " " + isize.getX() + " " + isize.getY() + " " + isize.getZ());
printWriter.println(FVInputFileKeyword.DOMAIN_SIZE + " " + extent.getX() + " " + extent.getY() + " " + extent.getZ());
printWriter.println(FVInputFileKeyword.DOMAIN_ORIGIN + " " + origin.getX() + " " + origin.getY() + " " + origin.getZ());
break;
}
List<CompartmentSubDomain> featureList = new ArrayList<CompartmentSubDomain>();
Enumeration<SubDomain> enum1 = simulation.getMathDescription().getSubDomains();
while (enum1.hasMoreElements()) {
SubDomain sd = enum1.nextElement();
if (sd instanceof CompartmentSubDomain) {
featureList.add((CompartmentSubDomain) sd);
}
}
int numFeatures = featureList.size();
CompartmentSubDomain[] features = featureList.toArray(new CompartmentSubDomain[0]);
int[] phases = new int[numFeatures];
Arrays.fill(phases, -1);
phases[numFeatures - 1] = 0;
int[] numAssigned = new int[] { 1 };
assignPhases(features, numFeatures - 1, phases, numAssigned);
Map<String, Integer> subDomainPhaseMap = new HashMap<String, Integer>();
for (int i = 0; i < phases.length; ++i) {
if (phases[i] == -1) {
throw new SolverException("Failed to assign a phase to CompartmentSubdomain '" + features[i].getName() + "'. It might be caused by too coarsh a mesh.");
}
subDomainPhaseMap.put(features[i].getName(), phases[i]);
}
SubVolume[] subVolumes = geometrySpec.getSubVolumes();
if (geometrySpec.hasImage()) {
Geometry geometry = (Geometry) BeanUtils.cloneSerializable(simulation.getMathDescription().getGeometry());
Geometry simGeometry = geometry;
VCImage img = geometry.getGeometrySpec().getImage();
int factor = Math.max(Math.max(img.getNumX(), img.getNumY()), img.getNumZ()) < 512 ? 2 : 1;
ISize distanceMapMeshSize = new ISize(img.getNumX() * factor, img.getNumY() * factor, img.getNumZ() * factor);
Vect3d deltaX = null;
boolean bCellCentered = false;
double dx = 0.5;
double dy = 0.5;
double dz = 0.5;
int Nx = distanceMapMeshSize.getX();
int Ny = distanceMapMeshSize.getY();
int Nz = distanceMapMeshSize.getZ();
if (dimension == 2) {
// pad the 2D image with itself in order to obtain a 3D image used to compute the distance map
// because the distance map algorithm is 3D only (using distance to triangles)
byte[] oldPixels = img.getPixels();
byte[] newPixels = new byte[oldPixels.length * 3];
System.arraycopy(oldPixels, 0, newPixels, 0, oldPixels.length);
System.arraycopy(oldPixels, 0, newPixels, oldPixels.length, oldPixels.length);
System.arraycopy(oldPixels, 0, newPixels, oldPixels.length * 2, oldPixels.length);
double distX = geometry.getExtent().getX() / img.getNumX();
double distY = geometry.getExtent().getY() / img.getNumY();
// we set the distance on the z axis to something that makes sense
double distZ = Math.max(distX, distY);
Extent newExtent = new Extent(geometry.getExtent().getX(), geometry.getExtent().getY(), distZ * 3);
VCImage newImage = new VCImageUncompressed(null, newPixels, newExtent, img.getNumX(), img.getNumY(), 3);
// copy the pixel classes too
ArrayList<VCPixelClass> newPixelClasses = new ArrayList<VCPixelClass>();
for (VCPixelClass origPixelClass : geometry.getGeometrySpec().getImage().getPixelClasses()) {
SubVolume origSubvolume = geometry.getGeometrySpec().getImageSubVolumeFromPixelValue(origPixelClass.getPixel());
newPixelClasses.add(new VCPixelClass(null, origSubvolume.getName(), origPixelClass.getPixel()));
}
newImage.setPixelClasses(newPixelClasses.toArray(new VCPixelClass[newPixelClasses.size()]));
simGeometry = new Geometry(geometry, newImage);
Nz = 3;
}
GeometrySpec simGeometrySpec = simGeometry.getGeometrySpec();
Extent simExtent = simGeometrySpec.getExtent();
dx = simExtent.getX() / (Nx - 1);
dy = simExtent.getY() / (Ny - 1);
dz = simExtent.getZ() / (Nz - 1);
if (Math.abs(dx - dy) > 0.1 * Math.max(dx, dy)) {
dx = Math.min(dx, dy);
dy = dx;
Nx = (int) (simExtent.getX() / dx + 1);
Ny = (int) (simExtent.getY() / dx + 1);
if (dimension == 3) {
dz = dx;
Nz = (int) (simExtent.getZ() / dx + 1);
}
}
deltaX = new Vect3d(dx, dy, dz);
// one more point in each direction
distanceMapMeshSize = new ISize(Nx + 1, Ny + 1, Nz + 1);
Extent distanceMapExtent = new Extent(simExtent.getX() + dx, simExtent.getY() + dy, simExtent.getZ() + dz);
simGeometrySpec.setExtent(distanceMapExtent);
GeometrySurfaceDescription geoSurfaceDesc = simGeometry.getGeometrySurfaceDescription();
geoSurfaceDesc.setVolumeSampleSize(distanceMapMeshSize);
geoSurfaceDesc.updateAll();
VCImage vcImage = RayCaster.sampleGeometry(simGeometry, distanceMapMeshSize, bCellCentered);
SubvolumeSignedDistanceMap[] distanceMaps = DistanceMapGenerator.computeDistanceMaps(simGeometry, vcImage, bCellCentered);
if (dimension == 2) {
distanceMaps = DistanceMapGenerator.extractMiddleSlice(distanceMaps);
}
printWriter.println(FVInputFileKeyword.SUBDOMAINS + " " + simGeometrySpec.getNumSubVolumes() + " " + FVInputFileKeyword.DISTANCE_MAP);
for (int i = 0; i < subVolumes.length; i++) {
File distanceMapFile = new File(workingDirectory, getSimulationTask().getSimulationJobID() + "_" + subVolumes[i].getName() + DISTANCE_MAP_FILE_EXTENSION);
writeDistanceMapFile(deltaX, distanceMaps[i], distanceMapFile);
int phase = subDomainPhaseMap.get(subVolumes[i].getName());
printWriter.println(subVolumes[i].getName() + " " + phase + " " + distanceMapFile.getAbsolutePath());
}
} else {
printWriter.println(FVInputFileKeyword.SUBDOMAINS + " " + geometrySpec.getNumSubVolumes());
Expression[] rvachevExps = convertAnalyticGeometryToRvachevFunction(geometrySpec);
for (int i = 0; i < subVolumes.length; i++) {
if (subVolumes[i] instanceof AnalyticSubVolume) {
String name = subVolumes[i].getName();
int phase = subDomainPhaseMap.get(name);
printWriter.println(name + " " + phase + " ");
printWriter.println(FVInputFileKeyword.IF + " " + rvachevExps[i].infix() + ";");
printWriter.println(FVInputFileKeyword.USER + " " + ((AnalyticSubVolume) subVolumes[i]).getExpression().infix() + ";");
}
}
}
printWriter.println(FVInputFileKeyword.MAX_BOX_SIZE + " " + chomboSolverSpec.getMaxBoxSize());
printWriter.println(FVInputFileKeyword.FILL_RATIO + " " + chomboSolverSpec.getFillRatio());
printWriter.println(FVInputFileKeyword.RELATIVE_TOLERANCE + " " + simulation.getSolverTaskDescription().getErrorTolerance().getRelativeErrorTolerance());
printWriter.println(FVInputFileKeyword.SAVE_VCELL_OUTPUT + " " + chomboSolverSpec.isSaveVCellOutput());
printWriter.println(FVInputFileKeyword.SAVE_CHOMBO_OUTPUT + " " + chomboSolverSpec.isSaveChomboOutput());
printWriter.println(FVInputFileKeyword.ACTIVATE_FEATURE_UNDER_DEVELOPMENT + " " + chomboSolverSpec.isActivateFeatureUnderDevelopment());
printWriter.println(FVInputFileKeyword.SMALL_VOLFRAC_THRESHOLD + " " + chomboSolverSpec.getSmallVolfracThreshold());
printWriter.println(FVInputFileKeyword.BLOCK_FACTOR + " " + chomboSolverSpec.getBlockFactor());
printWriter.println(FVInputFileKeyword.TAGS_GROW + " " + chomboSolverSpec.getTagsGrow());
// Refinement
int numLevels = chomboSolverSpec.getNumRefinementLevels();
// Refinements #Levels ratio 1, ratio 2, etc
printWriter.print(FVInputFileKeyword.REFINEMENTS + " " + (numLevels + 1));
List<Integer> ratios = chomboSolverSpec.getRefineRatioList();
for (int i : ratios) {
printWriter.print(" " + i);
}
// write last refinement ratio, fake
printWriter.println(" 2");
// membrane rois
List<RefinementRoi> memRios = chomboSolverSpec.getMembraneRefinementRois();
printWriter.println(FVInputFileKeyword.REFINEMENT_ROIS + " " + RoiType.Membrane + " " + memRios.size());
for (RefinementRoi roi : memRios) {
if (roi.getRoiExpression() == null) {
throw new SolverException("ROI expression cannot be null");
}
// level tagsGrow ROIexpression
printWriter.println(roi.getLevel() + " " + roi.getRoiExpression().infix() + ";");
}
List<RefinementRoi> volRios = chomboSolverSpec.getVolumeRefinementRois();
printWriter.println(FVInputFileKeyword.REFINEMENT_ROIS + " " + RoiType.Volume + " " + volRios.size());
for (RefinementRoi roi : volRios) {
if (roi.getRoiExpression() == null) {
throw new SolverException("ROI expression cannot be null");
}
printWriter.println(roi.getLevel() + " " + roi.getRoiExpression().infix() + ";");
}
printWriter.println(FVInputFileKeyword.VIEW_LEVEL + " " + chomboSolverSpec.getViewLevel());
printWriter.println(FVInputFileKeyword.CHOMBO_SPEC_END);
printWriter.println();
}
use of cbit.vcell.render.Vect3d in project vcell by virtualcell.
the class CSGScale method updateTransform.
private void updateTransform() {
Affine forward = new Affine();
forward.setScale(scale);
Affine inverse = new Affine();
inverse.setScale(new Vect3d(1.0 / scale.getX(), 1.0 / scale.getY(), 1.0 / scale.getZ()));
setTransforms(forward, inverse);
}
use of cbit.vcell.render.Vect3d in project vcell by virtualcell.
the class SmoldynFileWriter method writeSurfaces.
private void writeSurfaces() throws SolverException, ImageException, PropertyVetoException, GeometryException, ExpressionException {
GeometrySurfaceDescription geometrySurfaceDescription = resampledGeometry.getGeometrySurfaceDescription();
SurfaceClass[] surfaceClasses = geometrySurfaceDescription.getSurfaceClasses();
GeometrySpec geometrySpec = resampledGeometry.getGeometrySpec();
SubVolume[] surfaceGeometrySubVolumes = geometrySpec.getSubVolumes();
GeometricRegion[] AllGeometricRegions = resampledGeometry.getGeometrySurfaceDescription().getGeometricRegions();
ArrayList<SurfaceGeometricRegion> surfaceRegionList = new ArrayList<SurfaceGeometricRegion>();
ArrayList<VolumeGeometricRegion> volumeRegionList = new ArrayList<VolumeGeometricRegion>();
for (GeometricRegion geometricRegion : AllGeometricRegions) {
if (geometricRegion instanceof SurfaceGeometricRegion) {
surfaceRegionList.add((SurfaceGeometricRegion) geometricRegion);
} else if (geometricRegion instanceof VolumeGeometricRegion) {
volumeRegionList.add((VolumeGeometricRegion) geometricRegion);
} else {
throw new SolverException("unsupported geometric region type " + geometricRegion.getClass());
}
}
printWriter.println("# geometry");
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.dim + " " + dimension);
if (bHasNoSurface) {
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.max_compartment + " " + surfaceGeometrySubVolumes.length);
} else {
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.max_compartment + " " + (surfaceGeometrySubVolumes.length + 1));
// plus the surface which are bounding walls
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.max_surface + " " + (surfaceClasses.length + dimension));
}
printWriter.println();
// write boundaries and wall surfaces
writeWallSurfaces();
// for 3D ... smoldyn normal convension is triangle right-hand-rule normal points to the outside compartment subdomain.
if (!bHasNoSurface) {
membraneSubdomainTriangleMap = new HashMap<MembraneSubDomain, ArrayList<TrianglePanel>>();
// write surfaces
printWriter.println("# surfaces");
int triangleGlobalCount = 0;
int membraneIndex = -1;
SurfaceCollection surfaceCollection = geometrySurfaceDescription.getSurfaceCollection();
// pre-allocate collections used repeatedly in following loops; clear before reusing
HashMap<Node, Set<String>> nodeTriMap = new HashMap<>();
ArrayList<TrianglePanel> triList = new ArrayList<TrianglePanel>();
// use a sorted set to ensure neighbors written out is same order for reproducibility
SortedSet<String> neighborsForCurrentNode = new TreeSet<String>();
for (int sci = 0; sci < surfaceClasses.length; sci++) {
nodeTriMap.clear();
triList.clear();
int triLocalCount = 0;
SurfaceClass surfaceClass = surfaceClasses[sci];
GeometricRegion[] geometricRegions = geometrySurfaceDescription.getGeometricRegions(surfaceClass);
for (GeometricRegion gr : geometricRegions) {
SurfaceGeometricRegion sgr = (SurfaceGeometricRegion) gr;
VolumeGeometricRegion volRegion0 = (VolumeGeometricRegion) sgr.getAdjacentGeometricRegions()[0];
VolumeGeometricRegion volRegion1 = (VolumeGeometricRegion) sgr.getAdjacentGeometricRegions()[1];
SubVolume subVolume0 = volRegion0.getSubVolume();
SubVolume subVolume1 = volRegion1.getSubVolume();
CompartmentSubDomain compart0 = mathDesc.getCompartmentSubDomain(subVolume0.getName());
CompartmentSubDomain compart1 = mathDesc.getCompartmentSubDomain(subVolume1.getName());
MembraneSubDomain membraneSubDomain = mathDesc.getMembraneSubDomain(compart0, compart1);
if (membraneSubDomain == null) {
throw new SolverException(VCellErrorMessages.getSmoldynUnexpectedSurface(compart0, compart1));
}
int exteriorRegionID = volRegion0.getRegionID();
int interiorRegionID = volRegion1.getRegionID();
if (membraneSubDomain.getInsideCompartment() == compart0) {
exteriorRegionID = volRegion1.getRegionID();
interiorRegionID = volRegion0.getRegionID();
}
for (int j = 0; j < surfaceCollection.getSurfaceCount(); j++) {
Surface surface = surfaceCollection.getSurfaces(j);
if ((surface.getInteriorRegionIndex() == exteriorRegionID && surface.getExteriorRegionIndex() == interiorRegionID) || (surface.getInteriorRegionIndex() == interiorRegionID && surface.getExteriorRegionIndex() == exteriorRegionID)) {
// Polygon polygon = surface.getPolygons(k);
for (Polygon polygon : surface) {
if (polygonMembaneElementMap != null) {
membraneIndex = polygonMembaneElementMap.get(polygon).getMembraneIndex();
}
Node[] nodes = polygon.getNodes();
if (dimension == 2) {
// ignore z
Vect3d unitNormal = new Vect3d();
polygon.getUnitNormal(unitNormal);
unitNormal.set(unitNormal.getX(), unitNormal.getY(), 0);
int point0 = 0;
Vect3d v0 = new Vect3d(nodes[point0].getX(), nodes[point0].getY(), 0);
int point1 = 1;
Vect3d v1 = null;
for (point1 = 1; point1 < nodes.length; point1++) {
if (v0.getX() != nodes[point1].getX() || v0.getY() != nodes[point1].getY()) {
v1 = new Vect3d(nodes[point1].getX(), nodes[point1].getY(), 0);
break;
}
}
if (v1 == null) {
throw new RuntimeException("failed to generate surface");
}
Vect3d v01 = Vect3d.sub(v1, v0);
Vect3d unit01n = v01.cross(unitNormal);
unit01n.unit();
if (Math.abs(unit01n.getZ() - 1.0) < 1e-6) {
// v0 to v1 opposes vcell surface normal. it's already flipped.
Triangle triangle;
if (surface.getInteriorRegionIndex() == interiorRegionID) {
// we have to flipped it back
triangle = new Triangle(nodes[point1], nodes[point0], null);
} else {
triangle = new Triangle(nodes[point0], nodes[point1], null);
}
triList.add(new TrianglePanel(triLocalCount++, triangleGlobalCount++, membraneIndex, triangle));
} else if (Math.abs(unit01n.getZ() + 1.0) < 1e-6) {
// v0 to v1 is in direction of vcell surface normal.
Triangle triangle;
if (surface.getInteriorRegionIndex() == interiorRegionID) {
triangle = new Triangle(nodes[point0], nodes[point1], null);
} else {
triangle = new Triangle(nodes[point1], nodes[point0], null);
}
triList.add(new TrianglePanel(triLocalCount++, triangleGlobalCount++, membraneIndex, triangle));
} else {
throw new RuntimeException("failed to generate surface");
}
} else if (dimension == 3) {
Triangle triangle1;
Triangle triangle2;
if (surface.getInteriorRegionIndex() == interiorRegionID) {
// interior
triangle1 = new Triangle(nodes[0], nodes[1], nodes[2]);
triangle2 = new Triangle(nodes[0], nodes[2], nodes[3]);
} else {
triangle1 = new Triangle(nodes[2], nodes[1], nodes[0]);
triangle2 = new Triangle(nodes[3], nodes[2], nodes[0]);
}
triList.add(new TrianglePanel(triLocalCount++, triangleGlobalCount++, membraneIndex, triangle1));
triList.add(new TrianglePanel(triLocalCount++, triangleGlobalCount++, membraneIndex, triangle2));
}
}
}
}
}
// add triangles to node hash
for (TrianglePanel triPanel : triList) {
for (Node node : triPanel.triangle.getNodes()) {
if (node == null) {
continue;
}
Set<String> triNameSet = nodeTriMap.get(node);
if (triNameSet == null) {
triNameSet = new HashSet<String>();
nodeTriMap.put(node, triNameSet);
}
triNameSet.add(triPanel.name);
}
}
SubVolume[] adjacentSubvolums = surfaceClass.getAdjacentSubvolumes().toArray(new SubVolume[0]);
CompartmentSubDomain csd0 = simulation.getMathDescription().getCompartmentSubDomain(adjacentSubvolums[0].getName());
CompartmentSubDomain csd1 = simulation.getMathDescription().getCompartmentSubDomain(adjacentSubvolums[1].getName());
MembraneSubDomain membraneSubDomain = simulation.getMathDescription().getMembraneSubDomain(csd0, csd1);
membraneSubdomainTriangleMap.put(membraneSubDomain, triList);
final boolean initialMoleculesOnMembrane = (closestTriangles != null);
if (initialMoleculesOnMembrane) {
findClosestTriangles(membraneSubDomain, triList);
}
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.start_surface + " " + surfaceClass.getName());
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.action + " " + SmoldynVCellMapper.SmoldynKeyword.all + "(" + SmoldynVCellMapper.SmoldynKeyword.all + ") " + SmoldynVCellMapper.SmoldynKeyword.both + " " + SmoldynVCellMapper.SmoldynKeyword.reflect);
// printWriter.println(SmoldynKeyword.action + " " + SmoldynKeyword.all + "(" + SmoldynKeyword.up + ") " + SmoldynKeyword.both + " " + SmoldynKeyword.reflect);
// get color after species
Color c = colors[sci + particleVariableList.size()];
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.color + " " + SmoldynVCellMapper.SmoldynKeyword.both + " " + c.getRed() / 255.0 + " " + c.getGreen() / 255.0 + " " + c.getBlue() / 255.0 + " 0.1");
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.polygon + " " + SmoldynVCellMapper.SmoldynKeyword.front + " " + SmoldynVCellMapper.SmoldynKeyword.edge);
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.polygon + " " + SmoldynVCellMapper.SmoldynKeyword.back + " " + SmoldynVCellMapper.SmoldynKeyword.edge);
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.max_panels + " " + SmoldynVCellMapper.SmoldynKeyword.tri + " " + triList.size());
for (TrianglePanel trianglePanel : triList) {
Triangle triangle = trianglePanel.triangle;
printWriter.print(SmoldynVCellMapper.SmoldynKeyword.panel + " " + SmoldynVCellMapper.SmoldynKeyword.tri);
switch(dimension) {
case 1:
printWriter.print(" " + triangle.getNodes(0).getX());
break;
case 2:
printWriter.print(" " + triangle.getNodes(0).getX() + " " + triangle.getNodes(0).getY());
printWriter.print(" " + triangle.getNodes(1).getX() + " " + triangle.getNodes(1).getY());
break;
case 3:
for (Node node : triangle.getNodes()) {
printWriter.print(" " + node.getX() + " " + node.getY() + " " + node.getZ());
}
break;
}
printWriter.println(" " + trianglePanel.name);
}
for (TrianglePanel triPanel : triList) {
neighborsForCurrentNode.clear();
for (Node node : triPanel.triangle.getNodes()) {
if (node == null) {
continue;
}
neighborsForCurrentNode.addAll(nodeTriMap.get(node));
}
neighborsForCurrentNode.remove(triPanel.name);
// printWriter.print(SmoldynKeyword.neighbors + " " +triPanel.name);
// to allow smoldyn read line length as 256, chop the neighbors to multiple lines
int maxNeighborCount = 4;
//
int count = 0;
for (String neigh : neighborsForCurrentNode) {
if (count % maxNeighborCount == 0) {
printWriter.println();
printWriter.print(SmoldynVCellMapper.SmoldynKeyword.neighbors + " " + triPanel.name);
}
printWriter.print(" " + neigh);
count++;
}
}
printWriter.println();
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.end_surface);
printWriter.println();
}
// write compartment
// printWriter.println("# bounding wall compartment");
// printWriter.println(SmoldynKeyword.start_compartment + " " + VCellSmoldynKeyword.bounding_wall_compartment);
// printWriter.println(SmoldynKeyword.surface + " " + VCellSmoldynKeyword.bounding_wall_surface_X);
// if (dimension > 1) {
// printWriter.println(SmoldynKeyword.surface + " " + VCellSmoldynKeyword.bounding_wall_surface_Y);
// if (dimension > 2) {
// printWriter.println(SmoldynKeyword.surface + " " + VCellSmoldynKeyword.bounding_wall_surface_Z);
// }
// }
// printWriter.println(SmoldynKeyword.end_compartment);
// printWriter.println();
}
}
use of cbit.vcell.render.Vect3d in project vcell by virtualcell.
the class SmoldynSurfaceTessellator method writeSurfaces.
protected void writeSurfaces() throws SolverException, ImageException, PropertyVetoException, GeometryException, ExpressionException {
GeometrySurfaceDescription geometrySurfaceDescription = resampledGeometry.getGeometrySurfaceDescription();
SurfaceClass[] surfaceClasses = geometrySurfaceDescription.getSurfaceClasses();
GeometrySpec geometrySpec = resampledGeometry.getGeometrySpec();
SubVolume[] surfaceGeometrySubVolumes = geometrySpec.getSubVolumes();
GeometricRegion[] AllGeometricRegions = resampledGeometry.getGeometrySurfaceDescription().getGeometricRegions();
ArrayList<SurfaceGeometricRegion> surfaceRegionList = new ArrayList<SurfaceGeometricRegion>();
ArrayList<VolumeGeometricRegion> volumeRegionList = new ArrayList<VolumeGeometricRegion>();
for (GeometricRegion geometricRegion : AllGeometricRegions) {
if (geometricRegion instanceof SurfaceGeometricRegion) {
surfaceRegionList.add((SurfaceGeometricRegion) geometricRegion);
} else if (geometricRegion instanceof VolumeGeometricRegion) {
volumeRegionList.add((VolumeGeometricRegion) geometricRegion);
} else {
throw new SolverException("unsupported geometric region type " + geometricRegion.getClass());
}
}
printWriter.println("# geometry");
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.dim + " " + dimension);
if (bHasNoSurface) {
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.max_compartment + " " + surfaceGeometrySubVolumes.length);
} else {
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.max_compartment + " " + (surfaceGeometrySubVolumes.length + 1));
// plus the surface which are bounding walls
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.max_surface + " " + (surfaceClasses.length + dimension));
}
printWriter.println();
// write boundaries and wall surfaces
writeWallSurfaces();
// for 3D ... smoldyn normal convension is triangle right-hand-rule normal points to the outside compartment subdomain.
if (!bHasNoSurface) {
membraneSubdomainTriangleMap = new HashMap<MembraneSubDomain, ArrayList<TrianglePanel>>();
// write surfaces
printWriter.println("# surfaces");
int triangleGlobalCount = 0;
int membraneIndex = -1;
SurfaceCollection surfaceCollection = geometrySurfaceDescription.getSurfaceCollection();
// pre-allocate collections used repeatedly in following loops; clear before reusing
HashMap<Node, Set<String>> nodeTriMap = new HashMap<>();
ArrayList<TrianglePanel> triList = new ArrayList<TrianglePanel>();
// use a sorted set to ensure neighbors written out is same order for reproducibility
SortedSet<String> neighborsForCurrentNode = new TreeSet<String>();
for (int sci = 0; sci < surfaceClasses.length; sci++) {
nodeTriMap.clear();
triList.clear();
int triLocalCount = 0;
SurfaceClass surfaceClass = surfaceClasses[sci];
GeometricRegion[] geometricRegions = geometrySurfaceDescription.getGeometricRegions(surfaceClass);
for (GeometricRegion gr : geometricRegions) {
SurfaceGeometricRegion sgr = (SurfaceGeometricRegion) gr;
VolumeGeometricRegion volRegion0 = (VolumeGeometricRegion) sgr.getAdjacentGeometricRegions()[0];
VolumeGeometricRegion volRegion1 = (VolumeGeometricRegion) sgr.getAdjacentGeometricRegions()[1];
SubVolume subVolume0 = volRegion0.getSubVolume();
SubVolume subVolume1 = volRegion1.getSubVolume();
CompartmentSubDomain compart0 = mathDesc.getCompartmentSubDomain(subVolume0.getName());
CompartmentSubDomain compart1 = mathDesc.getCompartmentSubDomain(subVolume1.getName());
MembraneSubDomain membraneSubDomain = mathDesc.getMembraneSubDomain(compart0, compart1);
if (membraneSubDomain == null) {
throw new SolverException(VCellErrorMessages.getSmoldynUnexpectedSurface(compart0, compart1));
}
int exteriorRegionID = volRegion0.getRegionID();
int interiorRegionID = volRegion1.getRegionID();
if (membraneSubDomain.getInsideCompartment() == compart0) {
exteriorRegionID = volRegion1.getRegionID();
interiorRegionID = volRegion0.getRegionID();
}
for (int j = 0; j < surfaceCollection.getSurfaceCount(); j++) {
Surface surface = surfaceCollection.getSurfaces(j);
if ((surface.getInteriorRegionIndex() == exteriorRegionID && surface.getExteriorRegionIndex() == interiorRegionID) || (surface.getInteriorRegionIndex() == interiorRegionID && surface.getExteriorRegionIndex() == exteriorRegionID)) {
// Polygon polygon = surface.getPolygons(k);
for (Polygon polygon : surface) {
if (polygonMembaneElementMap != null) {
membraneIndex = polygonMembaneElementMap.get(polygon).getMembraneIndex();
}
Node[] nodes = polygon.getNodes();
if (dimension == 2) {
// ignore z
Vect3d unitNormal = new Vect3d();
polygon.getUnitNormal(unitNormal);
unitNormal.set(unitNormal.getX(), unitNormal.getY(), 0);
int point0 = 0;
Vect3d v0 = new Vect3d(nodes[point0].getX(), nodes[point0].getY(), 0);
int point1 = 1;
Vect3d v1 = null;
for (point1 = 1; point1 < nodes.length; point1++) {
if (v0.getX() != nodes[point1].getX() || v0.getY() != nodes[point1].getY()) {
v1 = new Vect3d(nodes[point1].getX(), nodes[point1].getY(), 0);
break;
}
}
if (v1 == null) {
throw new RuntimeException("failed to generate surface");
}
Vect3d v01 = Vect3d.sub(v1, v0);
Vect3d unit01n = v01.cross(unitNormal);
unit01n.unit();
if (Math.abs(unit01n.getZ() - 1.0) < 1e-6) {
// v0 to v1 opposes vcell surface normal. it's already flipped.
Triangle triangle;
if (surface.getInteriorRegionIndex() == interiorRegionID) {
// we have to flipped it back
triangle = new Triangle(nodes[point1], nodes[point0], null);
} else {
triangle = new Triangle(nodes[point0], nodes[point1], null);
}
triList.add(new TrianglePanel(triLocalCount++, triangleGlobalCount++, membraneIndex, triangle));
} else if (Math.abs(unit01n.getZ() + 1.0) < 1e-6) {
// v0 to v1 is in direction of vcell surface normal.
Triangle triangle;
if (surface.getInteriorRegionIndex() == interiorRegionID) {
triangle = new Triangle(nodes[point0], nodes[point1], null);
} else {
triangle = new Triangle(nodes[point1], nodes[point0], null);
}
triList.add(new TrianglePanel(triLocalCount++, triangleGlobalCount++, membraneIndex, triangle));
} else {
throw new RuntimeException("failed to generate surface");
}
} else if (dimension == 3) {
Triangle triangle1;
Triangle triangle2;
if (surface.getInteriorRegionIndex() == interiorRegionID) {
// interior
triangle1 = new Triangle(nodes[0], nodes[1], nodes[2]);
triangle2 = new Triangle(nodes[0], nodes[2], nodes[3]);
} else {
triangle1 = new Triangle(nodes[2], nodes[1], nodes[0]);
triangle2 = new Triangle(nodes[3], nodes[2], nodes[0]);
}
triList.add(new TrianglePanel(triLocalCount++, triangleGlobalCount++, membraneIndex, triangle1));
triList.add(new TrianglePanel(triLocalCount++, triangleGlobalCount++, membraneIndex, triangle2));
}
}
}
}
}
// add triangles to node hash
for (TrianglePanel triPanel : triList) {
for (Node node : triPanel.triangle.getNodes()) {
if (node == null) {
continue;
}
Set<String> triNameSet = nodeTriMap.get(node);
if (triNameSet == null) {
triNameSet = new HashSet<String>();
nodeTriMap.put(node, triNameSet);
}
triNameSet.add(triPanel.name);
}
}
SubVolume[] adjacentSubvolums = surfaceClass.getAdjacentSubvolumes().toArray(new SubVolume[0]);
CompartmentSubDomain csd0 = simulation.getMathDescription().getCompartmentSubDomain(adjacentSubvolums[0].getName());
CompartmentSubDomain csd1 = simulation.getMathDescription().getCompartmentSubDomain(adjacentSubvolums[1].getName());
MembraneSubDomain membraneSubDomain = simulation.getMathDescription().getMembraneSubDomain(csd0, csd1);
membraneSubdomainTriangleMap.put(membraneSubDomain, triList);
final boolean initialMoleculesOnMembrane = (closestTriangles != null);
if (initialMoleculesOnMembrane) {
findClosestTriangles(membraneSubDomain, triList);
}
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.start_surface + " " + surfaceClass.getName());
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.action + " " + SmoldynVCellMapper.SmoldynKeyword.all + "(" + SmoldynVCellMapper.SmoldynKeyword.all + ") " + SmoldynVCellMapper.SmoldynKeyword.both + " " + SmoldynVCellMapper.SmoldynKeyword.reflect);
// printWriter.println(SmoldynKeyword.action + " " + SmoldynKeyword.all + "(" + SmoldynKeyword.up + ") " + SmoldynKeyword.both + " " + SmoldynKeyword.reflect);
Color c = colorForSurface(sci);
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.color + " " + SmoldynVCellMapper.SmoldynKeyword.both + " " + c.getRed() / 255.0 + " " + c.getGreen() / 255.0 + " " + c.getBlue() / 255.0 + " 0.1");
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.polygon + " " + SmoldynVCellMapper.SmoldynKeyword.front + " " + SmoldynVCellMapper.SmoldynKeyword.edge);
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.polygon + " " + SmoldynVCellMapper.SmoldynKeyword.back + " " + SmoldynVCellMapper.SmoldynKeyword.edge);
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.max_panels + " " + SmoldynVCellMapper.SmoldynKeyword.tri + " " + triList.size());
for (TrianglePanel trianglePanel : triList) {
Triangle triangle = trianglePanel.triangle;
printWriter.print(SmoldynVCellMapper.SmoldynKeyword.panel + " " + SmoldynVCellMapper.SmoldynKeyword.tri);
switch(dimension) {
case 1:
printWriter.print(" " + triangle.getNodes(0).getX());
break;
case 2:
printWriter.print(" " + triangle.getNodes(0).getX() + " " + triangle.getNodes(0).getY());
printWriter.print(" " + triangle.getNodes(1).getX() + " " + triangle.getNodes(1).getY());
break;
case 3:
for (Node node : triangle.getNodes()) {
printWriter.print(" " + node.getX() + " " + node.getY() + " " + node.getZ());
}
break;
}
printWriter.println(" " + trianglePanel.name);
}
for (TrianglePanel triPanel : triList) {
neighborsForCurrentNode.clear();
for (Node node : triPanel.triangle.getNodes()) {
if (node == null) {
continue;
}
neighborsForCurrentNode.addAll(nodeTriMap.get(node));
}
neighborsForCurrentNode.remove(triPanel.name);
// printWriter.print(SmoldynKeyword.neighbors + " " +triPanel.name);
// to allow smoldyn read line length as 256, chop the neighbors to multiple lines
int maxNeighborCount = 4;
//
int count = 0;
for (String neigh : neighborsForCurrentNode) {
if (count % maxNeighborCount == 0) {
printWriter.println();
printWriter.print(SmoldynVCellMapper.SmoldynKeyword.neighbors + " " + triPanel.name);
}
printWriter.print(" " + neigh);
count++;
}
}
printWriter.println();
printWriter.println(SmoldynVCellMapper.SmoldynKeyword.end_surface);
printWriter.println();
}
}
}
Aggregations