addAP(int atomPositionNumber) | denoptim.graph.Fragment | |
addAP(int atomPositionNumber, APClass apClass) | denoptim.graph.Fragment | |
addAP(int atomPositionNumber, Point3d dirVec, APClass apClass) | denoptim.graph.Fragment | |
addAP(int srcAtmId, APClass apc, Point3d vector) | denoptim.graph.Fragment | |
addAPOnAtom(IAtom srcAtm, APClass apc, Point3d vector) | denoptim.graph.Fragment | |
addAtom(IAtom atom) | denoptim.graph.Fragment | |
addBond(IBond bond) | denoptim.graph.Fragment | |
addSymmetricAPSet(SymmetricAPs symAPs) | denoptim.graph.Fragment | protected |
allowedMutationTypes | denoptim.graph.Vertex | private |
atoms() | denoptim.graph.Fragment | |
atomsAreCompatible(IAtomContainer mol, int a1, int a2) | denoptim.graph.Fragment | privatestatic |
bonds() | denoptim.graph.Fragment | |
buildingBlockId | denoptim.graph.Vertex | protected |
buildingBlockType | denoptim.graph.Vertex | protected |
cleanup() | denoptim.graph.Vertex | |
clone() | denoptim.graph.Fragment | |
connectedTo(Vertex other) | denoptim.graph.Vertex | |
containsAtoms() | denoptim.graph.Fragment | |
convertIACToVertex(IAtomContainer iac, Vertex.BBType bbt) | denoptim.graph.Vertex | static |
copyStringBasedProperties() | denoptim.graph.Vertex | protected |
Fragment() | denoptim.graph.Fragment | |
Fragment(long vertexId) | denoptim.graph.Fragment | |
Fragment(long l, IAtomContainer mol, BBType bbt) | denoptim.graph.Fragment | |
Fragment(long vertexId, IAtomContainer mol, BBType bbt, boolean isRCV) | denoptim.graph.Fragment | |
Fragment(IAtomContainer mol, BBType bbt) | denoptim.graph.Fragment | |
fromJson(String json) | denoptim.graph.Fragment | static |
getAllAPClasses() | denoptim.graph.Vertex | |
getAllAvailableAPClasses() | denoptim.graph.Vertex | |
getAP(int i) | denoptim.graph.Vertex | |
getAPCountOnAtom(int srcAtmId) | denoptim.graph.Fragment | |
getAPCountOnAtom(IAtom srcAtm) | denoptim.graph.Fragment | |
getAPsFromAtom(IAtom srcAtm) | denoptim.graph.Fragment | |
getAPsFromChildren() | denoptim.graph.Vertex | |
getAPWithId(int i) | denoptim.graph.Vertex | |
getAtom(int number) | denoptim.graph.Fragment | |
getAtomCount() | denoptim.graph.Fragment | |
getAtomHoldingAP(AttachmentPoint ap) | denoptim.graph.Fragment | |
getAttachmentPoints() | denoptim.graph.Fragment | |
getBondCount() | denoptim.graph.Fragment | |
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 | |
getConnectedAtomsCount(IAtom atom) | denoptim.graph.Fragment | |
getConnectedAtomsList(IAtom atom) | denoptim.graph.Fragment | |
getCurrentAPs() | denoptim.graph.Fragment | |
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.Fragment | |
getIAtomContainer() | denoptim.graph.Fragment | |
getIAtomContainer(Logger logger, Randomizer rng, boolean removeUsedRCAs, boolean rebuild) | denoptim.graph.Fragment | |
getIndexOfAP(AttachmentPoint ap) | denoptim.graph.Vertex | |
getJGraphFragIsomorphism() | denoptim.graph.Fragment | |
getMutationSites(List< MutationType > ignoredTypes) | denoptim.graph.Fragment | |
denoptim::graph::Vertex.getMutationSites() | denoptim.graph.Vertex | |
getMutationTypes() | denoptim.graph.Vertex | |
getMutationTypes(List< MutationType > excludedTypes) | denoptim.graph.Vertex | |
getNumberOfAPs() | denoptim.graph.Vertex | |
getParent() | denoptim.graph.Vertex | |
getPathIDs(AttachmentPoint apA, AttachmentPoint apB) | denoptim.graph.Vertex | |
getProperties() | denoptim.graph.Vertex | |
getProperty(Object property) | denoptim.graph.Vertex | |
getSymmetricAPs(AttachmentPoint ap) | denoptim.graph.Vertex | |
getSymmetricAPSets() | denoptim.graph.Fragment | |
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 | |
identifySymmetryRelatedAPSets(IAtomContainer mol, List< AttachmentPoint > daps) | denoptim.graph.Fragment | privatestatic |
indexOf(IAtom atom) | denoptim.graph.Fragment | |
is3D() | denoptim.graph.Fragment | |
isIsomorphicTo(Vertex other) | denoptim.graph.Fragment | |
isRCV | denoptim.graph.Vertex | private |
isRCV() | denoptim.graph.Vertex | |
jGraphFragIsomorphism | denoptim.graph.Fragment | private |
lstAPs | denoptim.graph.Fragment | private |
lstSymAPs | denoptim.graph.Fragment | private |
mol | denoptim.graph.Fragment | 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 |
projectAPsToProperties() | denoptim.graph.Fragment | |
projectListAPToAtomProperties() | denoptim.graph.Fragment | |
projectPropertyToAP() | denoptim.graph.Fragment | |
projectPropertyToAP(String allAtomsProp) | denoptim.graph.Fragment | |
properties | denoptim.graph.Vertex | protected |
removeAP(AttachmentPoint ap) | denoptim.graph.Fragment | |
removeAtom(IAtom atom) | denoptim.graph.Fragment | |
removeAtoms(Collection< IAtom > atoms) | denoptim.graph.Fragment | |
removeBond(int position) | denoptim.graph.Fragment | |
removeBond(IAtom atom1, IAtom atom2) | denoptim.graph.Fragment | |
removeBond(IBond bond) | denoptim.graph.Fragment | |
removeMutationType(MutationType mt) | denoptim.graph.Vertex | |
removeProperty(Object key) | denoptim.graph.Vertex | |
resetGraphOwner() | denoptim.graph.Vertex | |
sameAs(Fragment other, StringBuilder reason) | denoptim.graph.Fragment | |
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 | |
setGraphOwner(DGraph owner) | denoptim.graph.Vertex | |
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.Fragment | protected |
setUniquefyingProperty(String key) | denoptim.graph.Vertex | |
setVertexId(long vertexId2) | denoptim.graph.Vertex | |
toJson() | denoptim.graph.Fragment | |
toString() | denoptim.graph.Fragment | |
uniquefyingPropertyKeys | denoptim.graph.Vertex | protected |
updateAPs() | denoptim.graph.Fragment | |
updateSymmetryRelations() | denoptim.graph.Fragment | 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 |