RDKit::MolStandardize::FeaturesValidation Class Reference

#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 224 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 226 of file Validate.h.

References allowAromaticBondType, allowAtomAliases, allowDativeBondType, allowDummies, allowEnhancedStereo, and allowQueries.

Member Function Documentation

copy()

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

inlineoverridevirtual

Implements RDKit::MolStandardize::ValidationMethod.

Definition at line 239 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 243 of file Validate.h.

Referenced by FeaturesValidation().

allowAtomAliases

bool RDKit::MolStandardize::FeaturesValidation::allowAtomAliases

Definition at line 247 of file Validate.h.

Referenced by FeaturesValidation().

allowDativeBondType

bool RDKit::MolStandardize::FeaturesValidation::allowDativeBondType

Definition at line 244 of file Validate.h.

Referenced by FeaturesValidation().

allowDummies

bool RDKit::MolStandardize::FeaturesValidation::allowDummies

Definition at line 246 of file Validate.h.

Referenced by FeaturesValidation().

allowEnhancedStereo

bool RDKit::MolStandardize::FeaturesValidation::allowEnhancedStereo

Definition at line 242 of file Validate.h.

Referenced by FeaturesValidation().

allowQueries

bool RDKit::MolStandardize::FeaturesValidation::allowQueries

Definition at line 245 of file Validate.h.

Referenced by FeaturesValidation().

---

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

• Validate.h