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RDKit
Open-source cheminformatics and machine learning.
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The NeutralValidation class logs if not an overall neutral system. More...
#include <Validate.h>
Public Member Functions | |
void | run (const ROMol &mol, bool reportAllFailures, std::vector< ValidationErrorInfo > &errors) const override |
virtual boost::shared_ptr< MolVSValidations > | copy () const override |
The NeutralValidation class logs if not an overall neutral system.
Definition at line 113 of file Validate.h.
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inlineoverridevirtual |
makes a copy of NeutralValidation object and returns a MolVSValidations pointer to it
Implements RDKit::MolStandardize::MolVSValidations.
Definition at line 120 of file Validate.h.
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overridevirtual |
Implements RDKit::MolStandardize::MolVSValidations.