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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 |
unsigned | NumBonds |
std::string | SmartsString |
bool | Canceled |
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inline |
Definition at line 140 of file FMCS.h.
References RDKit::findMCS(), RDKit::findMCS_P(), RDKit::parseMCSParametersJSON(), and RDKIT_FMCS_EXPORT.