Abstract base class that holds molecule independent arguments that are common amongst all fingerprint types and classes inherited from this would hold fingerprint type specific arguments. More...

#include <FingerprintGenerator.h>

Inheritance diagram for RDKit::FingerprintArguments:

Public Member Functions
	FingerprintArguments (bool countSimulation, const std::vector< std::uint32_t > countBounds, std::uint32_t fpSize, std::uint32_t numBitsPerFeature=1, bool includeChirality=false)

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

virtual void	toJSON (boost::property_tree::ptree &pt) const

virtual void	fromJSON (const boost::property_tree::ptree &pt)

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

virtual	~FingerprintArguments ()

	FingerprintArguments ()=default

Public Attributes
bool	df_countSimulation = false

bool	df_includeChirality = false

std::vector< std::uint32_t >	d_countBounds

std::uint32_t	d_fpSize = 2048

std::uint32_t	d_numBitsPerFeature = 1

Detailed Description

Abstract base class that holds molecule independent arguments that are common amongst all fingerprint types and classes inherited from this would hold fingerprint type specific arguments.

Definition at line 90 of file FingerprintGenerator.h.

Constructor & Destructor Documentation

◆ FingerprintArguments() [1/2]

RDKit::FingerprintArguments::FingerprintArguments	(	bool	countSimulation,
		const std::vector< std::uint32_t >	countBounds,
		std::uint32_t	fpSize,
		std::uint32_t	numBitsPerFeature = 1,
		bool	includeChirality = false )

◆ ~FingerprintArguments()

virtual RDKit::FingerprintArguments::~FingerprintArguments ( )

inlinevirtual

Definition at line 121 of file FingerprintGenerator.h.

◆ FingerprintArguments() [2/2]

RDKit::FingerprintArguments::FingerprintArguments ( )

default

Member Function Documentation

◆ commonArgumentsString()

std::string RDKit::FingerprintArguments::commonArgumentsString ( ) const

method that returns information string about common fingerprinting arguments' values

Returns: std::string information string

◆ fromJSON()

virtual void RDKit::FingerprintArguments::fromJSON ( const boost::property_tree::ptree & pt )

virtual

Reimplemented in RDKit::AtomPair::AtomPairArguments, RDKit::MorganFingerprint::MorganArguments, RDKit::RDKitFP::RDKitFPArguments, and RDKit::TopologicalTorsion::TopologicalTorsionArguments.

◆ infoString()

virtual std::string RDKit::FingerprintArguments::infoString ( ) const

pure virtual

method that returns information string about the fingerprint specific argument set and the arguments themselves

Returns: std::string information string

Implemented in RDKit::AtomPair::AtomPairArguments, RDKit::MorganFingerprint::MorganArguments, RDKit::RDKitFP::RDKitFPArguments, and RDKit::TopologicalTorsion::TopologicalTorsionArguments.

◆ toJSON()

virtual void RDKit::FingerprintArguments::toJSON ( boost::property_tree::ptree & pt ) const

virtual

Reimplemented in RDKit::AtomPair::AtomPairArguments, RDKit::MorganFingerprint::MorganArguments, RDKit::RDKitFP::RDKitFPArguments, and RDKit::TopologicalTorsion::TopologicalTorsionArguments.

Member Data Documentation

◆ d_countBounds

std::vector<std::uint32_t> RDKit::FingerprintArguments::d_countBounds

Definition at line 99 of file FingerprintGenerator.h.

◆ d_fpSize

std::uint32_t RDKit::FingerprintArguments::d_fpSize = 2048

Definition at line 100 of file FingerprintGenerator.h.

◆ d_numBitsPerFeature

std::uint32_t RDKit::FingerprintArguments::d_numBitsPerFeature = 1

Definition at line 101 of file FingerprintGenerator.h.

◆ df_countSimulation

bool RDKit::FingerprintArguments::df_countSimulation = false

Definition at line 97 of file FingerprintGenerator.h.

◆ df_includeChirality

bool RDKit::FingerprintArguments::df_includeChirality = false

Definition at line 98 of file FingerprintGenerator.h.

The documentation for this class was generated from the following file:

FingerprintGenerator.h

Public Member Functions

Public Attributes