#include <Validate.h>

Inheritance diagram for RDKit::MolStandardize::FeaturesValidation:

Public Member Functions
	FeaturesValidation (bool allowEnhancedStereo=false, bool allowAromaticBondType=false, bool allowDativeBondType=false, bool allowQueries=false, bool allowDummies=false, bool allowAtomAliases=false)

std::vector< ValidationErrorInfo >	validate (const ROMol &mol, bool reportAllFailures) const override

std::shared_ptr< ValidationMethod >	copy () const override

Public Member Functions inherited from RDKit::MolStandardize::ValidationMethod
	ValidationMethod ()=default

virtual	~ValidationMethod ()=default

Public Attributes
bool	allowEnhancedStereo

bool	allowAromaticBondType

bool	allowDativeBondType

bool	allowQueries

bool	allowDummies

bool	allowAtomAliases

Detailed Description

The FeaturesValidation class reports an error if the input molecule representation includes any undesired features.

Definition at line 225 of file Validate.h.

Constructor & Destructor Documentation

◆ FeaturesValidation()

RDKit::MolStandardize::FeaturesValidation::FeaturesValidation	(	bool	allowEnhancedStereo = `false`,
		bool	allowAromaticBondType = `false`,
		bool	allowDativeBondType = `false`,
		bool	allowQueries = `false`,
		bool	allowDummies = `false`,
		bool	allowAtomAliases = `false`
	)

inline

Definition at line 227 of file Validate.h.

Member Function Documentation

◆ copy()

std::shared_ptr< ValidationMethod > RDKit::MolStandardize::FeaturesValidation::copy ( ) const

inlineoverridevirtual

Implements RDKit::MolStandardize::ValidationMethod.

Definition at line 240 of file Validate.h.

◆ validate()

std::vector< ValidationErrorInfo > RDKit::MolStandardize::FeaturesValidation::validate	(	const ROMol &	mol,
		bool	reportAllFailures
	)		const

overridevirtual

Implements RDKit::MolStandardize::ValidationMethod.

Member Data Documentation

◆ allowAromaticBondType

bool RDKit::MolStandardize::FeaturesValidation::allowAromaticBondType

Definition at line 244 of file Validate.h.

◆ allowAtomAliases

bool RDKit::MolStandardize::FeaturesValidation::allowAtomAliases

Definition at line 248 of file Validate.h.

◆ allowDativeBondType

bool RDKit::MolStandardize::FeaturesValidation::allowDativeBondType

Definition at line 245 of file Validate.h.

◆ allowDummies

bool RDKit::MolStandardize::FeaturesValidation::allowDummies

Definition at line 247 of file Validate.h.

◆ allowEnhancedStereo

bool RDKit::MolStandardize::FeaturesValidation::allowEnhancedStereo

Definition at line 243 of file Validate.h.

◆ allowQueries

bool RDKit::MolStandardize::FeaturesValidation::allowQueries

Definition at line 246 of file Validate.h.

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

Validate.h

Public Member Functions

Public Attributes