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RDKit
Open-source cheminformatics and machine learning.
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RGroupMatch is the decomposition for a single molecule. More...
#include <RGroupMatch.h>
Public Member Functions | |
RGroupMatch (size_t core_index, R_DECOMP input_rgroups) | |
Public Attributes | |
size_t | core_idx |
R_DECOMP | rgroups |
RGroupMatch is the decomposition for a single molecule.
Definition at line 19 of file RGroupMatch.h.
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inline |
Definition at line 23 of file RGroupMatch.h.
size_t RDKit::RGroupMatch::core_idx |
Definition at line 20 of file RGroupMatch.h.
R_DECOMP RDKit::RGroupMatch::rgroups |
Definition at line 21 of file RGroupMatch.h.