#include <Validate.h>

Inheritance diagram for RDKit::MolStandardize::Is2DValidation:

Public Member Functions
	Is2DValidation (double threshold=1.e-3)

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

Public Attributes
double	threshold

Detailed Description

The Is2DValidation class reports an error if the input molecule representation is designated as 3D or if it includes non-null Z coordinates, and in case all atoms are assigned the same coordinates.

Definition at line 254 of file Validate.h.

Constructor & Destructor Documentation

◆ Is2DValidation()

RDKit::MolStandardize::Is2DValidation::Is2DValidation ( double threshold = 1.e-3 )

inline

Definition at line 256 of file Validate.h.

References threshold.

Member Function Documentation

◆ copy()

std::shared_ptr< ValidationMethod > RDKit::MolStandardize::Is2DValidation::copy ( ) const

inlineoverridevirtual

Implements RDKit::MolStandardize::ValidationMethod.

Definition at line 259 of file Validate.h.

◆ validate()

std::vector< ValidationErrorInfo > RDKit::MolStandardize::Is2DValidation::validate	(	const ROMol &	mol,
		bool	reportAllFailures ) const

overridevirtual

Implements RDKit::MolStandardize::ValidationMethod.

Member Data Documentation

◆ threshold

double RDKit::MolStandardize::Is2DValidation::threshold

Definition at line 263 of file Validate.h.

Referenced by Is2DValidation().

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

Validate.h

Public Member Functions

Public Attributes