RDKit::MolStandardize::RDKitValidation Class Reference

#include <Validate.h>

Inheritance diagram for RDKit::MolStandardize::RDKitValidation:

Public Member Functions
	RDKitValidation (bool allowEmptyMolecules=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	allowEmptyMolecules

Detailed Description

The RDKitValidation class throws an error when there are no atoms in the molecule or when there is incorrect atom valency.

Notes:

• RDKit automatically throws up atom valency issues but this class was made for completeness of the project.

Definition at line 80 of file Validate.h.

Constructor & Destructor Documentation

RDKitValidation()

RDKit::MolStandardize::RDKitValidation::RDKitValidation ( bool allowEmptyMolecules = false )

inline

Definition at line 82 of file Validate.h.

References allowEmptyMolecules.

Member Function Documentation

copy()

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

inlineoverridevirtual

Implements RDKit::MolStandardize::ValidationMethod.

Definition at line 88 of file Validate.h.

validate()

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

overridevirtual

Implements RDKit::MolStandardize::ValidationMethod.

Member Data Documentation

allowEmptyMolecules

bool RDKit::MolStandardize::RDKitValidation::allowEmptyMolecules

Definition at line 92 of file Validate.h.

Referenced by RDKitValidation().

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

• Validate.h