RDKit
Open-source cheminformatics and machine learning.
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#include <Validate.h>
Public Member Functions | |
DisallowedAtomsValidation (std::vector< std::shared_ptr< Atom > > atoms) | |
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 DisallowedAtomsValidation class lets the user input a list of atoms and as long as there are no atoms from the list it is deemed acceptable.
Definition at line 193 of file Validate.h.
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inline |
Definition at line 196 of file Validate.h.
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inlineoverridevirtual |
Implements RDKit::MolStandardize::ValidationMethod.
Definition at line 201 of file Validate.h.
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overridevirtual |
Implements RDKit::MolStandardize::ValidationMethod.