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

#include <Validate.h>

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

Public Member Functions

 DisallowedAtomsValidation (const std::vector< std::shared_ptr< Atom >> &atoms)
 
std::vector< ValidationErrorInfovalidate (const ROMol &mol, bool reportAllFailures) 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

Definition at line 179 of file Validate.h.

Constructor & Destructor Documentation

◆ DisallowedAtomsValidation()

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

Definition at line 182 of file Validate.h.

Member Function Documentation

◆ 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: