RDKit
Open-source cheminformatics and machine learning.
RDKit::MolStandardize::NeutralValidation Class Referencefinal

The NeutralValidation class logs if not an overall neutral system. More...

#include <Validate.h>

Inheritance diagram for RDKit::MolStandardize::NeutralValidation:
RDKit::MolStandardize::MolVSValidations

Public Member Functions

void run (const ROMol &mol, bool reportAllFailures, std::vector< ValidationErrorInfo > &errors) const override
 
virtual boost::shared_ptr< MolVSValidationscopy () const override
 

Detailed Description

The NeutralValidation class logs if not an overall neutral system.

Definition at line 113 of file Validate.h.

Member Function Documentation

◆ copy()

virtual boost::shared_ptr<MolVSValidations> RDKit::MolStandardize::NeutralValidation::copy ( ) const
inlineoverridevirtual

makes a copy of NeutralValidation object and returns a MolVSValidations pointer to it

Implements RDKit::MolStandardize::MolVSValidations.

Definition at line 120 of file Validate.h.

◆ run()

void RDKit::MolStandardize::NeutralValidation::run ( const ROMol mol,
bool  reportAllFailures,
std::vector< ValidationErrorInfo > &  errors 
) const
overridevirtual

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