RDKit::MolStandardize::AllowedAtomsValidation Class Reference

#include <Validate.h>

Inheritance diagram for RDKit::MolStandardize::AllowedAtomsValidation:

Public Member Functions
	AllowedAtomsValidation (std::vector< std::shared_ptr< Atom > > atoms)
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

Detailed Description

The AllowedAtomsValidation class lets the user input a list of atoms, anything not on the list throws an error.

Definition at line 175 of file Validate.h.

Constructor & Destructor Documentation

AllowedAtomsValidation()

RDKit::MolStandardize::AllowedAtomsValidation::AllowedAtomsValidation ( std::vector< std::shared_ptr< Atom > >  atoms )

inline

Definition at line 178 of file Validate.h.

Member Function Documentation

copy()

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

inlineoverridevirtual

Implements RDKit::MolStandardize::ValidationMethod.

Definition at line 183 of file Validate.h.

validate()

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

overridevirtual

Implements RDKit::MolStandardize::ValidationMethod.

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

• Validate.h