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RDKit
Open-source cheminformatics and machine learning.
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#include <AtomTyper.h>
Public Member Functions | |
MMFFAtomProperties () | |
~MMFFAtomProperties () | |
Public Attributes | |
boost::uint8_t | mmffAtomType |
double | mmffFormalCharge |
double | mmffPartialCharge |
Definition at line 30 of file MMFF/AtomTyper.h.
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inline |
Definition at line 32 of file MMFF/AtomTyper.h.
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inline |
Definition at line 36 of file MMFF/AtomTyper.h.
boost::uint8_t RDKit::MMFF::MMFFAtomProperties::mmffAtomType |
Definition at line 36 of file MMFF/AtomTyper.h.
double RDKit::MMFF::MMFFAtomProperties::mmffFormalCharge |
Definition at line 38 of file MMFF/AtomTyper.h.
double RDKit::MMFF::MMFFAtomProperties::mmffPartialCharge |
Definition at line 39 of file MMFF/AtomTyper.h.