RDKit
Open-source cheminformatics and machine learning.
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RDKit::MolStandardize::DisallowedAtomsValidation Class Reference

#include <Validate.h>

Inheritance diagram for RDKit::MolStandardize::DisallowedAtomsValidation:
RDKit::MolStandardize::ValidationMethod

Public Member Functions

 DisallowedAtomsValidation (std::vector< std::shared_ptr< Atom > > atoms)
 
std::vector< ValidationErrorInfovalidate (const ROMol &mol, bool reportAllFailures) const override
 
std::shared_ptr< ValidationMethodcopy () const override
 
- Public Member Functions inherited from RDKit::MolStandardize::ValidationMethod
 ValidationMethod ()=default
 
virtual ~ValidationMethod ()=default
 

Detailed Description

The DisallowedAtomsValidation class lets the user input a list of atoms and as long as there are no atoms from the list it is deemed acceptable.

Definition at line 193 of file Validate.h.

Constructor & Destructor Documentation

◆ DisallowedAtomsValidation()

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

Definition at line 196 of file Validate.h.

Member Function Documentation

◆ copy()

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

Implements RDKit::MolStandardize::ValidationMethod.

Definition at line 201 of file Validate.h.

◆ validate()

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

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