RDKit::MMFF::MMFFAtomProperties Class Reference

#include <AtomTyper.h>

Public Member Functions
	MMFFAtomProperties ()
	~MMFFAtomProperties ()

Public Attributes
boost::uint8_t	mmffAtomType
double	mmffFormalCharge
double	mmffPartialCharge

Detailed Description

Definition at line 30 of file MMFF/AtomTyper.h.

Constructor & Destructor Documentation

RDKit::MMFF::MMFFAtomProperties::MMFFAtomProperties ( )

inline

Definition at line 32 of file MMFF/AtomTyper.h.

RDKit::MMFF::MMFFAtomProperties::~MMFFAtomProperties ( )

inline

Definition at line 36 of file MMFF/AtomTyper.h.

Member Data Documentation

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.

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The documentation for this class was generated from the following file:

• MMFF/AtomTyper.h