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RDKit
Open-source cheminformatics and machine learning.
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#include <Seed.h>
Public Member Functions | |
NewBond () | |
NewBond (unsigned from_atom, unsigned bond_idx, unsigned new_atom, unsigned to_atom, const Atom *a) | |
Public Attributes | |
unsigned | SourceAtomIdx {0} |
unsigned | BondIdx {0} |
unsigned | NewAtomIdx {0} |
const Atom * | NewAtom {nullptr} |
unsigned | EndAtomIdx {0} |