addInnerToOuterAPMapping(AttachmentPoint newInnerAP) | denoptim.graph.Template | |
addRequiredAP(Point3d pt, APClass apClass) | denoptim.graph.Template | |
addSymmetricAPSet(SymmetricAPs symAPs) | denoptim.graph.Template | protected |
allowedMutationTypes | denoptim.graph.Vertex | private |
buildingBlockId | denoptim.graph.Vertex | protected |
buildingBlockType | denoptim.graph.Vertex | protected |
cleanup() | denoptim.graph.Vertex | |
clearIAtomContainer() | denoptim.graph.Template | |
clone() | denoptim.graph.Template | |
connectedTo(Vertex other) | denoptim.graph.Vertex | |
containsAtoms() | denoptim.graph.Template | |
contractLevel | denoptim.graph.Template | private |
convertIACToVertex(IAtomContainer iac, Vertex.BBType bbt) | denoptim.graph.Vertex | static |
copyStringBasedProperties() | denoptim.graph.Vertex | protected |
freezeTemplate() | denoptim.graph.Template | |
fromJson(String json) | denoptim.graph.Template | static |
getAllAPClasses() | denoptim.graph.Vertex | |
getAllAvailableAPClasses() | denoptim.graph.Vertex | |
getAP(int i) | denoptim.graph.Vertex | |
getAPsFromChildren() | denoptim.graph.Vertex | |
getAPWithId(int i) | denoptim.graph.Vertex | |
getAttachmentPoints() | denoptim.graph.Template | |
getBuildingBlockId() | denoptim.graph.Vertex | |
getBuildingBlockType() | denoptim.graph.Vertex | |
getCappedAPCountThroughout() | denoptim.graph.Vertex | |
getCappedAPs() | denoptim.graph.Vertex | |
getCappedAPsThroughout() | denoptim.graph.Vertex | |
getChilddren() | denoptim.graph.Vertex | |
getChildrenThroughout() | denoptim.graph.Vertex | |
getContractLevel() | denoptim.graph.Template | |
getEdgeToParent() | denoptim.graph.Vertex | |
getEdgeWith(Vertex other) | denoptim.graph.Vertex | |
getFreeAPCount() | denoptim.graph.Vertex | |
getFreeAPCountThroughout() | denoptim.graph.Vertex | |
getFreeAPThroughout() | denoptim.graph.Vertex | |
getGraphOwner() | denoptim.graph.Vertex | |
getHeavyAtomsCount() | denoptim.graph.Template | |
getIAtomContainer() | denoptim.graph.Template | |
getIAtomContainer(Logger logger, Randomizer rng, boolean removeUsedRCAs, boolean rebuild) | denoptim.graph.Template | |
getIndexOfAP(AttachmentPoint ap) | denoptim.graph.Vertex | |
getInnerAPFromOuterAP(AttachmentPoint outerAP) | denoptim.graph.Template | |
getInnerGraph() | denoptim.graph.Template | |
getMutationSites(List< MutationType > ignoredTypes) | denoptim.graph.Template | |
denoptim::graph::Vertex.getMutationSites() | denoptim.graph.Vertex | |
getMutationTypes(List< MutationType > ignoredTypes) | denoptim.graph.Template | |
denoptim::graph::Vertex.getMutationTypes() | denoptim.graph.Vertex | |
getNumberOfAPs() | denoptim.graph.Vertex | |
getOuterAPFromInnerAP(AttachmentPoint innerAP) | denoptim.graph.Template | |
getParent() | denoptim.graph.Vertex | |
getPathIDs(AttachmentPoint apA, AttachmentPoint apB) | denoptim.graph.Template | |
getProperties() | denoptim.graph.Vertex | |
getProperty(Object property) | denoptim.graph.Vertex | |
getRequiredAPs() | denoptim.graph.Template | private |
getSymmetricAPs(AttachmentPoint ap) | denoptim.graph.Vertex | |
getSymmetricAPSets() | denoptim.graph.Template | |
getTestTemplate(ContractLevel contractLevel) | denoptim.graph.Template | static |
getUnfilteredMutationTypes() | denoptim.graph.Vertex | protected |
getUniqueAPIndex() | denoptim.graph.Vertex | protected |
getVertexId() | denoptim.graph.Vertex | |
getVertexType() | denoptim.graph.Vertex | |
hasFreeAP() | denoptim.graph.Vertex | |
hasProperty(Object property) | denoptim.graph.Vertex | |
hasSymmetricAP() | denoptim.graph.Vertex | |
innerGraph | denoptim.graph.Template | private |
innerToOuterAPs | denoptim.graph.Template | private |
isRCV | denoptim.graph.Vertex | private |
isRCV() | denoptim.graph.Vertex | |
isValidInnerGraph(DGraph g) | denoptim.graph.Template | private |
mol | denoptim.graph.Template | private |
newVertexFromLibrary(int bbId, Vertex.BBType bbt, FragmentSpace fragSpace) | denoptim.graph.Vertex | static |
newVertexFromLibrary(long vertexId, int bbId, Vertex.BBType bbt, FragmentSpace fragSpace) | denoptim.graph.Vertex | static |
owner | denoptim.graph.Vertex | private |
parseVertexFromSDFFormat(IAtomContainer mol, Gson reader, BBType bbt) | denoptim.graph.Vertex | static |
properties | denoptim.graph.Vertex | protected |
removeMutationType(MutationType mt) | denoptim.graph.Vertex | |
removeProjectionOfInnerAP(AttachmentPoint oldInnerAP) | denoptim.graph.Template | |
removeProperty(Object key) | denoptim.graph.Vertex | |
requiredAPs | denoptim.graph.Template | private |
resetGraphOwner() | denoptim.graph.Vertex | |
sameAs(Template other, StringBuilder reason) | denoptim.graph.Template | |
denoptim::graph::Vertex.sameAs(Vertex other) | denoptim.graph.Vertex | |
denoptim::graph::Vertex.sameAs(Vertex other, StringBuilder reason) | denoptim.graph.Vertex | |
sameVertexFeatures(Vertex other, StringBuilder reason) | denoptim.graph.Vertex | |
setAsRCV(boolean isRCV) | denoptim.graph.Vertex | |
setBuildingBlockId(int buildingBlockId) | denoptim.graph.Vertex | |
setBuildingBlockType(Vertex.BBType buildingBlockType) | denoptim.graph.Vertex | |
setContractLevel(ContractLevel contract) | denoptim.graph.Template | |
setGraphOwner(DGraph owner) | denoptim.graph.Vertex | |
setIAtomContainer(IAtomContainer mol, boolean updateAPsAccordingToIAC) | denoptim.graph.Template | |
setInnerGraph(DGraph innerGraph) | denoptim.graph.Template | |
setMutationTypes(List< MutationType > lst) | denoptim.graph.Vertex | |
setProperties(Map< Object, Object > properties) | denoptim.graph.Vertex | |
setProperty(Object key, Object property) | denoptim.graph.Vertex | |
setSymmetricAPSets(List< SymmetricAPs > sAPs) | denoptim.graph.Template | protected |
setUniquefyingProperty(String key) | denoptim.graph.Vertex | |
setVertexId(long vertexId2) | denoptim.graph.Vertex | |
Template(Vertex.BBType bbType) | denoptim.graph.Template | |
toJson() | denoptim.graph.Template | |
toString() | denoptim.graph.Vertex | |
uniquefyingPropertyKeys | denoptim.graph.Vertex | protected |
updateInnerApID(AttachmentPoint oldInnerAP, AttachmentPoint newInnerAP) | denoptim.graph.Template | |
updateInnerToOuter(TreeMap< Integer, AttachmentPoint > map) | denoptim.graph.Template | private |
updateMutTypeToFixedSTructure() | denoptim.graph.Template | private |
Vertex(VertexType vertexType) | denoptim.graph.Vertex | |
Vertex(VertexType vertexType, long id) | denoptim.graph.Vertex | |
vertexId | denoptim.graph.Vertex | private |
vertexType | denoptim.graph.Vertex | protected |