RDKit: RDKit::MolStandardize::StereoValidation Class Reference

| RDKit Open-source cheminformatics and machine learning.

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Public Member Functions | List of all members
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 301 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 305 of file Validate.h.

## ◆ validate()

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

Implements RDKit::MolStandardize::ValidationMethod.

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

- Validate.h