RDKit::MolStandardize::MolVSValidation Class Reference

#include <Validate.h>

Inheritance diagram for RDKit::MolStandardize::MolVSValidation:

Public Member Functions
	MolVSValidation ()
	MolVSValidation (const std::vector< std::shared_ptr< ValidationMethod > > &validations)
	overloaded constructor to take in a user-defined list of ValidationMethod
std::shared_ptr< ValidationMethod >	copy () const override
Public Member Functions inherited from RDKit::MolStandardize::CompositeValidation
	CompositeValidation (const std::vector< std::shared_ptr< ValidationMethod > > &validations)
std::vector< ValidationErrorInfo >	validate (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 includes most of the same validations as molvs.validations, namely NoAtomValidation, FragmentValidation, NeutralValidation, IsotopeValidation. MolVS also has IsNoneValidation and DichloroethaneValidation but these were not included here (yet).

Definition at line 160 of file Validate.h.

Constructor & Destructor Documentation

MolVSValidation() [1/2]

RDKit::MolStandardize::MolVSValidation::MolVSValidation

(

)

MolVSValidation() [2/2]

RDKit::MolStandardize::MolVSValidation::MolVSValidation

(

const std::vector< std::shared_ptr< ValidationMethod > > &

validations

)

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

Member Function Documentation

copy()

std::shared_ptr< ValidationMethod > RDKit::MolStandardize::MolVSValidation::copy ( ) const

inlineoverridevirtual

Reimplemented from RDKit::MolStandardize::CompositeValidation.

Definition at line 168 of file Validate.h.

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

• Validate.h