OEFPPattern

class OEFPPattern : public OEChem::OEAtomBondSet

A container that stores patterns that are enumerated when fingerprints such as OEFPType_Path, OEFPType_Circular and OEFPType_Tree are generated.

See also

• Fingerprint Patterns chapter

• OEGetFPPatterns function

The following methods are publicly inherited from OEAtomBondSet:

operator=	ClearBonds	Remove
Add	CreateCopy	RemoveAtom
AddAtom	GetAtoms	RemoveAtoms
AddAtoms	GetBonds	RemoveBond
AddBond	HasAtom	RemoveBonds
AddBonds	HasBond	Sweep
Clear	IsEmpty	Translate
ClearAtoms	NumAtoms
ClearAtomsAndBonds	NumBonds

Constructors

OEFPPattern(atoms: OEAtomIter, bonds: OEBondIter, smarts: str,
            unhashed: int, setbit: int) -> OEFPPattern

Constructor.

GetBit

GetBit() -> int

Returns the bit that is set when the given pattern is hashed into fixed-length bitvector.

GetSmarts

GetSmarts() -> str

Returns the smarts representation of the given pattern.

GetUnhashed

GetUnhashed() -> int

Returns the unhashed unique integer representation of the given pattern.