RDKit::MolStandardize::IsotopeValidation Class Reference

The IsotopeValidation class logs if molecule contains isotopes. More...

#include <Validate.h>

Inheritance diagram for RDKit::MolStandardize::IsotopeValidation:

Public Member Functions
	IsotopeValidation (bool strict=false)
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
bool	strict

Detailed Description

The IsotopeValidation class logs if molecule contains isotopes.

Notes:

• By default, this class will return an error every time an isotopic number is specified. When the strict constructor parameter is passed a true argument, an error is returned only if the specified isotopic number is not found in the RDKit periodic table.

Definition at line 141 of file Validate.h.

Constructor & Destructor Documentation

IsotopeValidation()

RDKit::MolStandardize::IsotopeValidation::IsotopeValidation ( bool strict = false )

inline

Definition at line 143 of file Validate.h.

References strict.

Member Function Documentation

copy()

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

inlineoverridevirtual

Implements RDKit::MolStandardize::ValidationMethod.

Definition at line 147 of file Validate.h.

validate()

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

overridevirtual

Implements RDKit::MolStandardize::ValidationMethod.

Member Data Documentation

strict

bool RDKit::MolStandardize::IsotopeValidation::strict

Definition at line 151 of file Validate.h.

Referenced by IsotopeValidation().

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

• Validate.h