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

The MolVSValidation class can be used to perform all MolVSValidions. More...

#include <Validate.h>

Inheritance diagram for RDKit::MolStandardize::MolVSValidation:
RDKit::MolStandardize::ValidationMethod

Public Member Functions

 MolVSValidation ()
 
 MolVSValidation (const std::vector< boost::shared_ptr< MolVSValidations >> validations)
 overloaded constructor to take in a user-defined list of MolVSValidations More...
 
 MolVSValidation (const MolVSValidation &other)
 
 ~MolVSValidation ()
 
std::vector< ValidationErrorInfovalidate (const ROMol &mol, bool reportAllFailures) const override
 

Detailed Description

The MolVSValidation class can be used to perform all MolVSValidions.

Definition at line 137 of file Validate.h.

Constructor & Destructor Documentation

◆ MolVSValidation() [1/3]

RDKit::MolStandardize::MolVSValidation::MolVSValidation ( )

◆ MolVSValidation() [2/3]

RDKit::MolStandardize::MolVSValidation::MolVSValidation ( const std::vector< boost::shared_ptr< MolVSValidations >>  validations)

overloaded constructor to take in a user-defined list of MolVSValidations

◆ MolVSValidation() [3/3]

RDKit::MolStandardize::MolVSValidation::MolVSValidation ( const MolVSValidation other)

◆ ~MolVSValidation()

RDKit::MolStandardize::MolVSValidation::~MolVSValidation ( )

Member Function Documentation

◆ validate()

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

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