RDKit
Open-source cheminformatics and machine learning.
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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
 
 MolVSValidation (const MolVSValidation &other)
 
 ~MolVSValidation () override
 
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 MolVSValidation class can be used to perform all MolVSValidions.

Definition at line 145 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 ( )
override

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: