Inheritance diagram for RDKit::TopologicalTorsion::TopologicalTorsionArguments< OutputType >:

Public Member Functions
OutputType	getResultSize () const override
	Returns the size of the fingerprint based on arguments. More...

std::string	infoString () const override
	method that returns information string about the fingerprint specific argument set and the arguments themselves More...

	TopologicalTorsionArguments (const bool includeChirality, const uint32_t torsionAtomCount, const bool countSimulation, const std::vector< std::uint32_t > countBounds, const std::uint32_t fpSize)
	Construct a new Topological Torsion Arguments object. More...

Public Member Functions inherited from RDKit::FingerprintArguments< OutputType >
	FingerprintArguments (bool countSimulation, const std::vector< std::uint32_t > countBounds, std::uint32_t fpSize, std::uint32_t numBitsPerFeature=1)

virtual OutputType	getResultSize () const =0
	Returns the size of the fingerprint based on arguments. More...

virtual std::string	infoString () const =0
	method that returns information string about the fingerprint specific argument set and the arguments themselves More...

std::string	commonArgumentsString () const
	method that returns information string about common fingerprinting arguments' values More...

virtual	~FingerprintArguments ()

Public Attributes
const bool	df_includeChirality

const uint32_t	d_torsionAtomCount

Public Attributes inherited from RDKit::FingerprintArguments< OutputType >
const bool	d_countSimulation

const std::vector< std::uint32_t >	d_countBounds

const std::uint32_t	d_fpSize

const std::uint32_t	d_numBitsPerFeature

Detailed Description

template<typename OutputType>
class RDKit::TopologicalTorsion::TopologicalTorsionArguments< OutputType >

Constructor & Destructor Documentation

template<typename OutputType >

RDKit::TopologicalTorsion::TopologicalTorsionArguments< OutputType >::TopologicalTorsionArguments	(	const bool	includeChirality,
		const uint32_t	torsionAtomCount,
		const bool	countSimulation,
		const std::vector< std::uint32_t >	countBounds,
		const std::uint32_t	fpSize
	)

Construct a new Topological Torsion Arguments object.

Parameters

includeChirality	if set, chirality will be used in sparse result
torsionAtomCount	the number of atoms to include in the "torsions"
useCountSimulation	if set, use count simulation while generating the fingerprint
countBounds	boundaries for count simulation, corresponding bit will be set if the count is higher than the number provided for that spot
fpSize	size of the generated fingerprint, does not affect the sparse versions