RDKit::MolStandardize::MolVSValidations Class Reference

MolVS Validations. More...

#include <Validate.h>

Inheritance diagram for RDKit::MolStandardize::MolVSValidations:

Public Member Functions
virtual void	run (const ROMol &mol, bool reportAllFailures, std::vector< ValidationErrorInfo > &errors) const =0
virtual boost::shared_ptr< MolVSValidations >	copy () const =0

Detailed Description

MolVS Validations.

The MolVSValidations 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 82 of file Validate.h.

Member Function Documentation

copy()

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

pure virtual

Implemented in RDKit::MolStandardize::NoAtomValidation, RDKit::MolStandardize::FragmentValidation, RDKit::MolStandardize::NeutralValidation, and RDKit::MolStandardize::IsotopeValidation.

run()

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

pure virtual

Implemented in RDKit::MolStandardize::NoAtomValidation, RDKit::MolStandardize::FragmentValidation, RDKit::MolStandardize::NeutralValidation, and RDKit::MolStandardize::IsotopeValidation.

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

• Validate.h