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RDKit
Open-source cheminformatics and machine learning.
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#include <Validate.h>
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 |
The DisallowedRadicalValidation class reports an error if any unstable radical atoms are found. The allowed radicals are [N]=O and [O]-N.
Definition at line 211 of file Validate.h.
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inlineoverridevirtual |
Implements RDKit::MolStandardize::ValidationMethod.
Definition at line 217 of file Validate.h.
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overridevirtual |
Implements RDKit::MolStandardize::ValidationMethod.