Examples with StructureTopology cbit.vcell.model.Model.StructureTopology used on opensource projects

Example 21 with StructureTopology

use of cbit.vcell.model.Model.StructureTopology in project vcell by virtualcell.

the class BioModelEditorStructureTableModel method computeData.

protected List<Structure> computeData() {
    List<Structure> structureList = null;
    if (getModel() != null) {
        Structure[] structures = getModel().getStructures();
        if (searchText == null || searchText.length() == 0) {
            structureList = Arrays.asList(structures);
        } else {
            structureList = new ArrayList<Structure>();
            StructureTopology structureTopology = getStructureTopology();
            String lowerCaseSearchText = searchText.toLowerCase();
            for (Structure s : structures) {
                if (s.getName().toLowerCase().contains(lowerCaseSearchText) || s.getTypeName().toLowerCase().contains(lowerCaseSearchText) || structureTopology.getParentStructure(s) != null && structureTopology.getParentStructure(s).getName().toLowerCase().contains(lowerCaseSearchText) || s.getStructureSize().getName().toLowerCase().contains(lowerCaseSearchText) || (s instanceof Membrane && ((structureTopology.getInsideFeature((Membrane) s) != null && structureTopology.getInsideFeature((Membrane) s).getName().toLowerCase().contains(lowerCaseSearchText)) || ((Membrane) s).getMembraneVoltage().getName().toLowerCase().contains(lowerCaseSearchText)))) {
                    structureList.add(s);
                }
            }
        }
    }
    return structureList;
}

Example 22 with StructureTopology

use of cbit.vcell.model.Model.StructureTopology in project vcell by virtualcell.

the class BioModelEditorConversionTableModel method createTableRowForTransportParticipant.

private ConversionTableRow createTableRowForTransportParticipant(BioPaxObject bpObject, String interactionId, String interactionLabel, String participantType, double stoich, HashSet<RelationshipObject> relationshipObjects) {
    String location = "";
    ConversionTableRow conversionTableRow = new ConversionTableRow(bpObject);
    conversionTableRow.setInteractionId(interactionId);
    conversionTableRow.setInteractionLabel(interactionLabel);
    conversionTableRow.setParticipantType(participantType);
    // stoichiometry and location
    Model model = bioModel.getModel();
    StructureTopology structTopology = model.getStructureTopology();
    if (participantType.equals("Reactant")) {
        // stoichiometry
        if (stoich != 0)
            conversionTableRow.setStoich(stoich);
        else
            conversionTableRow.setStoich(1.0);
        // else{
        if (model.getMembranes().size() > 0)
            location = structTopology.getOutsideFeature(model.getMembranes().get(0)).getName();
        else
            location = model.getStructures()[0].getName();
        // }
        conversionTableRow.setLocation(location);
    } else if (participantType.equals("Product")) {
        // stoichiometry
        if (stoich != 0)
            conversionTableRow.setStoich(stoich);
        else
            conversionTableRow.setStoich(1.0);
        // else{
        if (model.getMembranes().size() > 0)
            location = structTopology.getInsideFeature(model.getMembranes().get(0)).getName();
        else
            location = model.getStructures()[0].getName();
        // }
        conversionTableRow.setLocation(location);
    } else {
        conversionTableRow.setStoich(1.0);
        // else
        if (bpObject instanceof Transport) {
            if (model.getMembranes().size() > 0)
                location = model.getMembranes().get(0).getName();
            else
                location = model.getStructures()[0].getName();
        } else
            location = model.getStructures()[0].getName();
        conversionTableRow.setLocation(location);
    }
    // id
    if (relationshipObjects == null) {
        if (bpObject instanceof Entity) {
            String id = (BioPAXUtil.getName((Entity) bpObject) + "_" + location).trim();
            if (isValid(id))
                conversionTableRow.setId(id);
            else
                conversionTableRow.setId(changeID(id));
        }
    } else {
        String id = null;
        for (RelationshipObject relationshipObject : relationshipObjects) {
            if (relationshipObject.getBioModelEntityObject().getStructure().getName().equalsIgnoreCase(location)) {
                id = relationshipObject.getBioModelEntityObject().getName();
            }
        }
        if (id != null) {
            // the linked bmObject with the same location will be used
            conversionTableRow.setId(id);
        } else {
            // a new bmObject will be created if no linked bmObject in the same location
            if (bpObject instanceof Entity) {
                id = (BioPAXUtil.getName((Entity) bpObject) + "_" + location).trim();
                if (isValid(id))
                    conversionTableRow.setId(id);
                else
                    conversionTableRow.setId(changeID(id));
            }
        }
    }
    return conversionTableRow;
}

Example 23 with StructureTopology

use of cbit.vcell.model.Model.StructureTopology in project vcell by virtualcell.

the class StructureUtil method areAdjacent.

public static boolean areAdjacent(Structure structure1, Structure structure2) {
    Model model1 = structure1.getModel();
    Model model2 = structure2.getModel();
    // This should never happen!
    if (!model1.compareEqual(model2)) {
        throw new RuntimeException("'" + structure1.getName() + "' & '" + structure2.getName() + "' are not in the same model!");
    }
    StructureTopology structTopology = model1.getStructureTopology();
    if (structure1 instanceof Membrane && structure2 instanceof Feature) {
        return isAdjacentMembrane((Membrane) structure1, (Feature) structure2, structTopology);
    } else if (structure2 instanceof Membrane && structure1 instanceof Feature) {
        return isAdjacentMembrane((Membrane) structure2, (Feature) structure1, structTopology);
    }
    return false;
}

Example 24 with StructureTopology

use of cbit.vcell.model.Model.StructureTopology in project vcell by virtualcell.

the class ITextWriter method writeStructure.

protected void writeStructure(Model model, Structure struct, Table structTable) throws DocumentException {
    // If this structure has any reactions in it, add its name as a hyperlink to the reactions' list.
    if (hasReactions(model, struct)) {
        Paragraph linkParagraph = new Paragraph();
        Font linkFont;
        try {
            BaseFont fontBaseFont = BaseFont.createFont(BaseFont.HELVETICA, BaseFont.CP1252, BaseFont.NOT_EMBEDDED);
            linkFont = new Font(fontBaseFont, DEF_FONT_SIZE, Font.NORMAL, new java.awt.Color(0, 0, 255));
        } catch (Exception e) {
            linkFont = getFont();
            e.printStackTrace();
        }
        linkParagraph.add(new Chunk(struct.getName(), linkFont).setLocalGoto(struct.getName()));
        Cell structLinkCell = new Cell(linkParagraph);
        structLinkCell.setBorderWidth(1);
        structLinkCell.setHorizontalAlignment(Element.ALIGN_LEFT);
        structTable.addCell(structLinkCell);
    } else {
        structTable.addCell(createCell(struct.getName(), getFont()));
    }
    StructureTopology structTopology = model.getStructureTopology();
    if (struct instanceof Membrane) {
        structTable.addCell(createCell("Membrane", getFont()));
        Feature outsideFeature = structTopology.getOutsideFeature((Membrane) struct);
        Feature insideFeature = structTopology.getInsideFeature((Membrane) struct);
        structTable.addCell(createCell((insideFeature != null ? insideFeature.getName() : "N/A"), getFont()));
        structTable.addCell(createCell((outsideFeature != null ? outsideFeature.getName() : "N/A"), getFont()));
    } else {
        structTable.addCell(createCell("Feature", getFont()));
        String outsideStr = "N/A", insideStr = "N/A";
        Membrane enclosingMem = (Membrane) structTopology.getParentStructure(struct);
        if (enclosingMem != null) {
            outsideStr = enclosingMem.getName();
        }
        // To do:  retrieve the 'child' membrane here...
        structTable.addCell(createCell(insideStr, getFont()));
        structTable.addCell(createCell(outsideStr, getFont()));
    }
}

Example 25 with StructureTopology

use of cbit.vcell.model.Model.StructureTopology in project vcell by virtualcell.

the class StructureSizeSolver method updateUnitStructureSizes.

/**
 * Insert the method's description here.
 * Creation date: (5/17/2006 10:33:38 AM)
 * @return double[]
 * @param structName java.lang.String
 * @param structSize double
 */
public static void updateUnitStructureSizes(SimulationContext simContext, GeometryClass geometryClass) {
    if (simContext.getGeometryContext().getGeometry().getDimension() == 0) {
        return;
    }
    StructureMapping[] myStructMappings = simContext.getGeometryContext().getStructureMappings(geometryClass);
    if (myStructMappings != null && myStructMappings.length == 1) {
        // if the unitSizeParameter is dimensionless, then features are mapped to SubVolumes or Membranes are mapped to surfaces (should sum to 1)
        boolean bDimensionless = myStructMappings[0].getUnitSizeParameter().getUnitDefinition().isEquivalent(simContext.getModel().getUnitSystem().getInstance_DIMENSIONLESS());
        if (bDimensionless) {
            try {
                myStructMappings[0].getUnitSizeParameter().setExpression(new Expression(1.0));
                return;
            } catch (ExpressionException e) {
                e.printStackTrace(System.out);
                throw new RuntimeException(e.getMessage());
            }
        }
    }
    if (myStructMappings != null && myStructMappings.length == 0) {
        // nothing to solve, there are no mappings for this geometryClass
        return;
    }
    StructureMapping[] structMappings = simContext.getGeometryContext().getStructureMappings();
    try {
        ConstraintContainerImpl ccImpl = new ConstraintContainerImpl();
        Structure struct = null;
        Expression totalVolExpr = new Expression(0.0);
        StructureTopology structureTopology = simContext.getModel().getStructureTopology();
        for (int i = 0; i < structMappings.length; i++) {
            if (structMappings[i].getGeometryClass() != geometryClass) {
                continue;
            }
            // new model with unit sizes already
            if (structMappings[i].getUnitSizeParameter() != null && structMappings[i].getUnitSizeParameter().getExpression() != null) {
                return;
            }
            if (struct == null) {
                struct = structMappings[i].getStructure();
            }
            if (structMappings[i] instanceof MembraneMapping) {
                MembraneMapping membraneMapping = (MembraneMapping) structMappings[i];
                Membrane membrane = membraneMapping.getMembrane();
                String membraneSizeName = TokenMangler.mangleToSName(membrane.getName() + "_size");
                ccImpl.addSimpleBound(new SimpleBounds(membraneSizeName, new RealInterval(0, 100000), AbstractConstraint.PHYSICAL_LIMIT, "definition"));
                Feature insideFeature = structureTopology.getInsideFeature(membrane);
                String volFractName = TokenMangler.mangleToSName(insideFeature.getName() + "_volFract");
                String svRatioName = TokenMangler.mangleToSName(insideFeature.getName() + "_svRatio");
                StructureMapping.StructureMappingParameter volFractParameter = membraneMapping.getVolumeFractionParameter();
                double volFractValue = volFractParameter.getExpression().evaluateConstant();
                ccImpl.addSimpleBound(new SimpleBounds(volFractName, new RealInterval(volFractValue, volFractValue), AbstractConstraint.MODELING_ASSUMPTION, "from model"));
                StructureMapping.StructureMappingParameter surfToVolParameter = membraneMapping.getSurfaceToVolumeParameter();
                double svRatioValue = surfToVolParameter.getExpression().evaluateConstant();
                ccImpl.addSimpleBound(new SimpleBounds(svRatioName, new RealInterval(svRatioValue, svRatioValue), AbstractConstraint.MODELING_ASSUMPTION, "from model"));
                // membrane mapped to volume
                if (geometryClass instanceof SubVolume) {
                    // 
                    // EC eclosing cyt, which contains er and golgi
                    // "(cyt_size+ er_size + golgi_size) * cyt_svRatio - PM_size == 0"
                    // 
                    Expression sumOfInsideVolumeExp = new Expression(0.0);
                    for (int j = 0; j < structMappings.length; j++) {
                        if (structMappings[j] instanceof FeatureMapping && structureTopology.enclosedBy(structMappings[j].getStructure(), insideFeature)) {
                            Feature childFeatureOfInside = ((FeatureMapping) structMappings[j]).getFeature();
                            if (simContext.getGeometryContext().getStructureMapping(childFeatureOfInside).getGeometryClass() == geometryClass) {
                                sumOfInsideVolumeExp = Expression.add(sumOfInsideVolumeExp, new Expression(TokenMangler.mangleToSName(childFeatureOfInside.getName() + "_size")));
                            }
                        }
                    }
                    Expression tempExpr = Expression.mult(sumOfInsideVolumeExp, new Expression(svRatioName));
                    tempExpr = Expression.add(tempExpr, new Expression("-" + membraneSizeName));
                    ccImpl.addGeneralConstraint(new GeneralConstraint(new Expression(tempExpr.infix() + "==0"), AbstractConstraint.MODELING_ASSUMPTION, "svRatio definition"));
                    // 
                    // EC eclosing cyt, which contains er and golgi
                    // (EC_size + cyt_size + er_size + golgi_size) * cyt_vfRatio - (cyt_size + er_size + golgi_size) == 0
                    // 
                    Feature outsideFeature = structureTopology.getOutsideFeature(membrane);
                    Expression sumOfParentVolumeExp = new Expression(0.0);
                    for (int j = 0; j < structMappings.length; j++) {
                        if (structMappings[j] instanceof FeatureMapping && structureTopology.enclosedBy(structMappings[j].getStructure(), outsideFeature)) {
                            Feature childFeatureOfParent = ((FeatureMapping) structMappings[j]).getFeature();
                            if (simContext.getGeometryContext().getStructureMapping(childFeatureOfParent).getGeometryClass() == geometryClass) {
                                sumOfParentVolumeExp = Expression.add(sumOfParentVolumeExp, new Expression(TokenMangler.mangleToSName(childFeatureOfParent.getName() + "_size")));
                            }
                        }
                    }
                    Expression exp = Expression.mult(sumOfParentVolumeExp, new Expression(volFractName));
                    exp = Expression.add(exp, Expression.negate(sumOfInsideVolumeExp));
                    ccImpl.addGeneralConstraint(new GeneralConstraint(new Expression(exp.infix() + "==0.0"), AbstractConstraint.MODELING_ASSUMPTION, "volFract definition"));
                }
            } else if (structMappings[i] instanceof FeatureMapping) {
                FeatureMapping featureMapping = (FeatureMapping) structMappings[i];
                String featureSizeName = TokenMangler.mangleToSName(featureMapping.getFeature().getName() + "_size");
                totalVolExpr = Expression.add(totalVolExpr, new Expression(featureSizeName));
                ccImpl.addSimpleBound(new SimpleBounds(featureSizeName, new RealInterval(0, 1), AbstractConstraint.PHYSICAL_LIMIT, "definition"));
            }
        }
        if (geometryClass instanceof SubVolume) {
            ccImpl.addGeneralConstraint(new GeneralConstraint(new Expression(totalVolExpr.infix() + "==1.0"), AbstractConstraint.MODELING_ASSUMPTION, "total volume"));
        }
        // ccImpl.show();
        ConstraintSolver constraintSolver = new ConstraintSolver(ccImpl);
        constraintSolver.resetIntervals();
        int numTimesNarrowed = 0;
        RealInterval[] lastSolution = null;
        boolean bChanged = true;
        while (constraintSolver.narrow() && bChanged && numTimesNarrowed < 125) {
            numTimesNarrowed++;
            bChanged = false;
            RealInterval[] thisSolution = constraintSolver.getIntervals();
            if (lastSolution != null) {
                for (int i = 0; i < thisSolution.length; i++) {
                    if (!thisSolution[i].equals(lastSolution[i])) {
                        bChanged = true;
                    }
                }
            } else {
                bChanged = true;
            }
            lastSolution = thisSolution;
        }
        System.out.println("num of times narrowed = " + numTimesNarrowed);
        if (numTimesNarrowed > 0) {
            String[] symbols = constraintSolver.getSymbols();
            net.sourceforge.interval.ia_math.RealInterval[] solution = constraintSolver.getIntervals();
            double totalArea = 0;
            double totalVolume = 0;
            for (int i = 0; i < symbols.length; i++) {
                System.out.println("solution[" + i + "] \"" + symbols[i] + "\" = " + solution[i]);
                for (int j = 0; j < structMappings.length; j++) {
                    if (symbols[i].equals(TokenMangler.mangleToSName(structMappings[j].getStructure().getName() + "_size"))) {
                        if (!Double.isInfinite(solution[i].lo()) && !Double.isInfinite(solution[i].hi())) {
                            double value = (solution[i].lo() + solution[i].hi()) / 2;
                            Expression exp = new Expression(value);
                            if (structMappings[j] instanceof FeatureMapping) {
                                FeatureMapping fm = (FeatureMapping) structMappings[j];
                                totalVolume += value;
                                if (geometryClass instanceof SubVolume) {
                                    fm.getVolumePerUnitVolumeParameter().setExpression(exp);
                                } else if (geometryClass instanceof SurfaceClass) {
                                    fm.getVolumePerUnitAreaParameter().setExpression(exp);
                                }
                            } else if (structMappings[j] instanceof MembraneMapping) {
                                MembraneMapping mm = (MembraneMapping) structMappings[j];
                                totalArea += value;
                                if (geometryClass instanceof SubVolume) {
                                    mm.getAreaPerUnitVolumeParameter().setExpression(exp);
                                } else if (geometryClass instanceof SurfaceClass) {
                                    mm.getAreaPerUnitAreaParameter().setExpression(exp);
                                }
                            }
                        }
                    }
                }
            }
            // 
            // normalize all so that total volume is 1.0 for subVolumes or
            // total area is 1.0 for surfaceClasses
            // 
            double scaleFactor = 1;
            if (geometryClass instanceof SubVolume) {
                scaleFactor = totalVolume;
            } else if (geometryClass instanceof SurfaceClass) {
                scaleFactor = totalArea;
            } else {
                throw new RuntimeException("unexpected GeometryClass");
            }
            for (int j = 0; j < structMappings.length; j++) {
                if (structMappings[j].getGeometryClass() == geometryClass) {
                    if (structMappings[j] instanceof FeatureMapping) {
                        FeatureMapping fm = (FeatureMapping) structMappings[j];
                        if (geometryClass instanceof SubVolume) {
                            fm.getVolumePerUnitVolumeParameter().setExpression(new Expression(fm.getVolumePerUnitVolumeParameter().getExpression().evaluateConstant() / scaleFactor));
                        } else if (geometryClass instanceof SurfaceClass) {
                            fm.getVolumePerUnitAreaParameter().setExpression(new Expression(fm.getVolumePerUnitAreaParameter().getExpression().evaluateConstant() / scaleFactor));
                        }
                    } else if (structMappings[j] instanceof MembraneMapping) {
                        MembraneMapping mm = (MembraneMapping) structMappings[j];
                        if (geometryClass instanceof SubVolume) {
                            mm.getAreaPerUnitVolumeParameter().setExpression(new Expression(mm.getAreaPerUnitVolumeParameter().getExpression().evaluateConstant() / scaleFactor));
                        } else if (geometryClass instanceof SurfaceClass) {
                            mm.getAreaPerUnitAreaParameter().setExpression(new Expression(mm.getAreaPerUnitAreaParameter().getExpression().evaluateConstant() / scaleFactor));
                        }
                    }
                }
            }
        } else {
            throw new RuntimeException("cannot solve for size");
        }
    } catch (ExpressionException e) {
        e.printStackTrace(System.out);
        throw new RuntimeException(e.getMessage());
    } catch (java.beans.PropertyVetoException e) {
        e.printStackTrace(System.out);
        throw new RuntimeException(e.getMessage());
    }
}