RDKit
Open-source cheminformatics and machine learning.
|
#include <new_canon.h>
Public Member Functions | |
ChiralAtomCompareFunctor () | |
ChiralAtomCompareFunctor (Canon::canon_atom *atoms, const ROMol &m) | |
int | operator() (int i, int j) const |
Public Attributes | |
Canon::canon_atom * | dp_atoms {nullptr} |
const ROMol * | dp_mol {nullptr} |
bool | df_useNbrs {false} |
Definition at line 561 of file new_canon.h.
|
inline |
Definition at line 634 of file new_canon.h.
|
inline |
Definition at line 635 of file new_canon.h.
Definition at line 637 of file new_canon.h.
References RDKit::Canon::ATNUM_CLASS_OFFSET, and PRECONDITION.
Definition at line 633 of file new_canon.h.
Canon::canon_atom* RDKit::Canon::ChiralAtomCompareFunctor::dp_atoms {nullptr} |
Definition at line 631 of file new_canon.h.
Definition at line 632 of file new_canon.h.