RDKit::MolStandardize::StereoValidation Class Reference

#include <Validate.h>

Inheritance diagram for RDKit::MolStandardize::StereoValidation:

Public Member Functions
std::vector< ValidationErrorInfo >	validate (const ROMol &mol, bool reportAllFailures) const override
std::shared_ptr< ValidationMethod >	copy () const override
Public Member Functions inherited from RDKit::MolStandardize::ValidationMethod
	ValidationMethod ()=default
virtual	~ValidationMethod ()=default

Detailed Description

The StereoValidation class checks various "syntactic" constraints related to the usage of stereo bonds on centers with 4 or 3 substituents, in an attempt to ensure that the associated stereochemical configuration can be interpreted unambiguously. These validation criteria were ported from the AvalonTools STRUCHK software.

Definition at line 302 of file Validate.h.

Member Function Documentation

copy()

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

inlineoverridevirtual

Implements RDKit::MolStandardize::ValidationMethod.

Definition at line 306 of file Validate.h.

validate()

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

overridevirtual

Implements RDKit::MolStandardize::ValidationMethod.

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

• Validate.h