RDKit
Open-source cheminformatics and machine learning.
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class to store MMFF Properties More...
#include <Params.h>
Public Attributes | |
std::uint8_t | atno |
std::uint8_t | crd |
std::uint8_t | val |
std::uint8_t | pilp |
std::uint8_t | mltb |
std::uint8_t | arom |
std::uint8_t | linh |
std::uint8_t | sbmb |
class to store MMFF Properties
Definition at line 61 of file MMFF/Params.h.
std::uint8_t ForceFields::MMFF::MMFFProp::arom |
Definition at line 68 of file MMFF/Params.h.
std::uint8_t ForceFields::MMFF::MMFFProp::atno |
Definition at line 63 of file MMFF/Params.h.
std::uint8_t ForceFields::MMFF::MMFFProp::crd |
Definition at line 64 of file MMFF/Params.h.
std::uint8_t ForceFields::MMFF::MMFFProp::linh |
Definition at line 69 of file MMFF/Params.h.
std::uint8_t ForceFields::MMFF::MMFFProp::mltb |
Definition at line 67 of file MMFF/Params.h.
std::uint8_t ForceFields::MMFF::MMFFProp::pilp |
Definition at line 66 of file MMFF/Params.h.
std::uint8_t ForceFields::MMFF::MMFFProp::sbmb |
Definition at line 70 of file MMFF/Params.h.
std::uint8_t ForceFields::MMFF::MMFFProp::val |
Definition at line 65 of file MMFF/Params.h.