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

#include <Validate.h>

Inheritance diagram for RDKit::MolStandardize::AllowedAtomsValidation:
RDKit::MolStandardize::ValidationMethod

Public Member Functions

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

Definition at line 165 of file Validate.h.

Constructor & Destructor Documentation

◆ AllowedAtomsValidation()

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

Definition at line 168 of file Validate.h.

Member Function Documentation

◆ validate()

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

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