RDKit
Open-source cheminformatics and machine learning.
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Public Member Functions | List of all members
RDKit::MolStandardize::ValidationMethod Class Referenceabstract

#include <Validate.h>

Inheritance diagram for RDKit::MolStandardize::ValidationMethod:
RDKit::MolStandardize::AllowedAtomsValidation RDKit::MolStandardize::CompositeValidation RDKit::MolStandardize::DisallowedAtomsValidation RDKit::MolStandardize::DisallowedRadicalValidation RDKit::MolStandardize::FeaturesValidation RDKit::MolStandardize::FragmentValidation RDKit::MolStandardize::Is2DValidation RDKit::MolStandardize::IsotopeValidation RDKit::MolStandardize::Layout2DValidation RDKit::MolStandardize::NeutralValidation RDKit::MolStandardize::NoAtomValidation RDKit::MolStandardize::RDKitValidation RDKit::MolStandardize::StereoValidation

Public Member Functions

 ValidationMethod ()=default
 
virtual ~ValidationMethod ()=default
 
virtual std::vector< ValidationErrorInfo > validate (const ROMol &mol, bool reportAllFailures) const =0
 
virtual std::shared_ptr< ValidationMethod > copy () const =0
 

Detailed Description

The ValidationMethod class is the abstract base class upon which all the four different ValidationMethods inherit from.

Definition at line 43 of file Validate.h.

Constructor & Destructor Documentation

◆ ValidationMethod()

RDKit::MolStandardize::ValidationMethod::ValidationMethod ( )
default

◆ ~ValidationMethod()

virtual RDKit::MolStandardize::ValidationMethod::~ValidationMethod ( )
virtualdefault

Member Function Documentation

◆ copy()

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

Implemented in RDKit::MolStandardize::CompositeValidation, RDKit::MolStandardize::RDKitValidation, RDKit::MolStandardize::NoAtomValidation, RDKit::MolStandardize::FragmentValidation, RDKit::MolStandardize::NeutralValidation, RDKit::MolStandardize::IsotopeValidation, RDKit::MolStandardize::MolVSValidation, RDKit::MolStandardize::AllowedAtomsValidation, RDKit::MolStandardize::DisallowedAtomsValidation, RDKit::MolStandardize::DisallowedRadicalValidation, RDKit::MolStandardize::FeaturesValidation, RDKit::MolStandardize::Is2DValidation, RDKit::MolStandardize::Layout2DValidation, and RDKit::MolStandardize::StereoValidation.

◆ validate()

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

Implemented in RDKit::MolStandardize::CompositeValidation, RDKit::MolStandardize::RDKitValidation, RDKit::MolStandardize::NoAtomValidation, RDKit::MolStandardize::FragmentValidation, RDKit::MolStandardize::NeutralValidation, RDKit::MolStandardize::IsotopeValidation, RDKit::MolStandardize::AllowedAtomsValidation, RDKit::MolStandardize::DisallowedAtomsValidation, RDKit::MolStandardize::DisallowedRadicalValidation, RDKit::MolStandardize::FeaturesValidation, RDKit::MolStandardize::Is2DValidation, RDKit::MolStandardize::Layout2DValidation, and RDKit::MolStandardize::StereoValidation.

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