struct that makes calling the fingerprint generation functions easier More...

#include <FingerprintGenerator.h>

Public Member Functions
	FingerprintFuncArguments ()=default

	FingerprintFuncArguments (const std::vector< std::uint32_t > fromAtoms_arg, const std::vector< std::uint32_t > ignoreAtoms_arg, int confId_arg, AdditionalOutput additionalOutput_arg, const std::vector< std::uint32_t > customAtomInvariants_arg, const std::vector< std::uint32_t > *customBondInvariants_arg)

Public Attributes
const std::vector< std::uint32_t > *	fromAtoms = nullptr

const std::vector< std::uint32_t > *	ignoreAtoms = nullptr

int	confId = -1

AdditionalOutput *	additionalOutput = nullptr

const std::vector< std::uint32_t > *	customAtomInvariants = nullptr

const std::vector< std::uint32_t > *	customBondInvariants = nullptr

Detailed Description

struct that makes calling the fingerprint generation functions easier

FingerprintFuncArguments doesn't own any of the pointers it stores.

Definition at line 272 of file FingerprintGenerator.h.

Constructor & Destructor Documentation

◆ FingerprintFuncArguments() [1/2]

RDKit::FingerprintFuncArguments::FingerprintFuncArguments ( )

default

◆ FingerprintFuncArguments() [2/2]

RDKit::FingerprintFuncArguments::FingerprintFuncArguments	(	const std::vector< std::uint32_t > *	fromAtoms_arg,
		const std::vector< std::uint32_t > *	ignoreAtoms_arg,
		int	confId_arg,
		AdditionalOutput *	additionalOutput_arg,
		const std::vector< std::uint32_t > *	customAtomInvariants_arg,
		const std::vector< std::uint32_t > *	customBondInvariants_arg
	)

inline

Definition at line 280 of file FingerprintGenerator.h.

Member Data Documentation

◆ additionalOutput

AdditionalOutput* RDKit::FingerprintFuncArguments::additionalOutput = nullptr

Definition at line 276 of file FingerprintGenerator.h.

◆ confId

int RDKit::FingerprintFuncArguments::confId = -1

Definition at line 275 of file FingerprintGenerator.h.

◆ customAtomInvariants

const std::vector<std::uint32_t>* RDKit::FingerprintFuncArguments::customAtomInvariants = nullptr

Definition at line 277 of file FingerprintGenerator.h.

◆ customBondInvariants

const std::vector<std::uint32_t>* RDKit::FingerprintFuncArguments::customBondInvariants = nullptr

Definition at line 278 of file FingerprintGenerator.h.

◆ fromAtoms

const std::vector<std::uint32_t>* RDKit::FingerprintFuncArguments::fromAtoms = nullptr

Definition at line 273 of file FingerprintGenerator.h.

◆ ignoreAtoms

const std::vector<std::uint32_t>* RDKit::FingerprintFuncArguments::ignoreAtoms = nullptr

Definition at line 274 of file FingerprintGenerator.h.

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

FingerprintGenerator.h

Public Member Functions

Public Attributes