RDKit::BondInvariantsGenerator Class Reference

abstract base class for bond invariants generators More...

#include <FingerprintGenerator.h>

Inheritance diagram for RDKit::BondInvariantsGenerator:

Public Member Functions
virtual std::vector< std::uint32_t > *	getBondInvariants (const ROMol &mol) const =0
	get bond invariants from a molecule
virtual std::string	infoString () const =0
	method that returns information about this /c BondInvariantsGenerator and its arguments
virtual void	toJSON (boost::property_tree::ptree &) const
virtual void	fromJSON (const boost::property_tree::ptree &)
virtual	~BondInvariantsGenerator ()
virtual BondInvariantsGenerator *	clone () const =0

Detailed Description

abstract base class for bond invariants generators

Definition at line 258 of file FingerprintGenerator.h.

Constructor & Destructor Documentation

~BondInvariantsGenerator()

virtual RDKit::BondInvariantsGenerator::~BondInvariantsGenerator ( )

inlinevirtual

Definition at line 282 of file FingerprintGenerator.h.

Member Function Documentation

clone()

virtual BondInvariantsGenerator * RDKit::BondInvariantsGenerator::clone ( ) const

pure virtual

Implemented in RDKit::MorganFingerprint::MorganBondInvGenerator.

fromJSON()

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

inlinevirtual

Reimplemented in RDKit::MorganFingerprint::MorganBondInvGenerator.

Definition at line 280 of file FingerprintGenerator.h.

getBondInvariants()

virtual std::vector< std::uint32_t > * RDKit::BondInvariantsGenerator::getBondInvariants ( const ROMol & mol ) const

pure virtual

get bond invariants from a molecule

Parameters

mol	molecule to generate the bond invariants for

Returns

std::vector<std::uint32_t> bond invariants generated for the given molecule

Implemented in RDKit::MorganFingerprint::MorganBondInvGenerator.

infoString()

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

pure virtual

method that returns information about this /c BondInvariantsGenerator and its arguments

Returns

std::string information string

Implemented in RDKit::MorganFingerprint::MorganBondInvGenerator.

toJSON()

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

inlinevirtual

Reimplemented in RDKit::MorganFingerprint::MorganBondInvGenerator.

Definition at line 279 of file FingerprintGenerator.h.

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

• FingerprintGenerator.h