RDKit
Open-source cheminformatics and machine learning.
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#include <SubstructMatch.h>
Public Member Functions | |
MolMatchFinalCheckFunctor (const ROMol &query, const ROMol &mol, const SubstructMatchParameters &ps) | |
bool | operator() (const std::uint32_t q_c[], const std::uint32_t m_c[]) |
Class used as a final step to confirm whether or not a given atom->atom mapping is a valid substructure match.
Definition at line 235 of file SubstructMatch.h.
RDKit::MolMatchFinalCheckFunctor::MolMatchFinalCheckFunctor | ( | const ROMol & | query, |
const ROMol & | mol, | ||
const SubstructMatchParameters & | ps | ||
) |
bool RDKit::MolMatchFinalCheckFunctor::operator() | ( | const std::uint32_t | q_c[], |
const std::uint32_t | m_c[] | ||
) |