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RDKit
Open-source cheminformatics and machine learning.
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#include <FMCS.h>
Public Member Functions | |
MCSResult () | |
bool | isCompleted () const |
Public Attributes | |
unsigned | NumAtoms {0} |
unsigned | NumBonds {0} |
std::string | SmartsString |
bool | Canceled {false} |
ROMOL_SPTR | QueryMol |
ROMOL_SPTR RDKit::MCSResult::QueryMol |