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DENOPTIM
denoptim.graph.Fragment Member List

This is the complete list of members for denoptim.graph.Fragment, including all inherited members.

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.Fragmentprotected
allowedMutationTypesdenoptim.graph.Vertexprivate
atoms()denoptim.graph.Fragment
atomsAreCompatible(IAtomContainer mol, int a1, int a2)denoptim.graph.Fragmentprivatestatic
bonds()denoptim.graph.Fragment
buildingBlockIddenoptim.graph.Vertexprotected
buildingBlockTypedenoptim.graph.Vertexprotected
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.Vertexstatic
copyStringBasedProperties()denoptim.graph.Vertexprotected
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.Fragmentstatic
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.Vertexprotected
getUniqueAPIndex()denoptim.graph.Vertexprotected
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.Fragmentprivatestatic
indexOf(IAtom atom)denoptim.graph.Fragment
is3D()denoptim.graph.Fragment
isIsomorphicTo(Vertex other)denoptim.graph.Fragment
isRCVdenoptim.graph.Vertexprivate
isRCV()denoptim.graph.Vertex
jGraphFragIsomorphismdenoptim.graph.Fragmentprivate
lstAPsdenoptim.graph.Fragmentprivate
lstSymAPsdenoptim.graph.Fragmentprivate
moldenoptim.graph.Fragmentprivate
newVertexFromLibrary(int bbId, Vertex.BBType bbt, FragmentSpace fragSpace)denoptim.graph.Vertexstatic
newVertexFromLibrary(long vertexId, int bbId, Vertex.BBType bbt, FragmentSpace fragSpace)denoptim.graph.Vertexstatic
ownerdenoptim.graph.Vertexprivate
parseVertexFromSDFFormat(IAtomContainer mol, Gson reader, BBType bbt)denoptim.graph.Vertexstatic
projectAPsToProperties()denoptim.graph.Fragment
projectListAPToAtomProperties()denoptim.graph.Fragment
projectPropertyToAP()denoptim.graph.Fragment
projectPropertyToAP(String allAtomsProp)denoptim.graph.Fragment
propertiesdenoptim.graph.Vertexprotected
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.Fragmentprotected
setUniquefyingProperty(String key)denoptim.graph.Vertex
setVertexId(long vertexId2)denoptim.graph.Vertex
toJson()denoptim.graph.Fragment
toString()denoptim.graph.Fragment
uniquefyingPropertyKeysdenoptim.graph.Vertexprotected
updateAPs()denoptim.graph.Fragment
updateSymmetryRelations()denoptim.graph.Fragmentprivate
Vertex(VertexType vertexType)denoptim.graph.Vertex
Vertex(VertexType vertexType, long id)denoptim.graph.Vertex
vertexIddenoptim.graph.Vertexprivate
vertexTypedenoptim.graph.Vertexprotected