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RDKit
Open-source cheminformatics and machine learning.
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The FragmentValidation class logs if certain fragments are present. 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 FragmentValidation class logs if certain fragments are present.
Definition at line 100 of file Validate.h.
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inlineoverridevirtual |
makes a copy of FragmentValidation object and returns a MolVSValidations pointer to it
Implements RDKit::MolStandardize::MolVSValidations.
Definition at line 107 of file Validate.h.
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overridevirtual |
Implements RDKit::MolStandardize::MolVSValidations.