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.

Constructors¶

OEFPPattern(OESystem::OEIter<OEChem::OEAtomBase> &atoms,
            OESystem::OEIter<OEChem::OEBondBase> &bonds,
            const std::string &smarts, unsigned int unhashed,
            unsigned int setbit)

Constructor.

operator=¶

OEFPPattern &operator=(const OEFPPattern &rhs)

Assignment operator.

GetBit¶

unsigned int GetBit() const

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

GetSmarts¶

std::string GetSmarts() const

Returns the smarts representation of the given pattern.

GetUnhashed¶

unsigned int GetUnhashed() const

Returns the unhashed unique integer representation of the given pattern.

`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`