RDKit::MMFF::MMFFAtomProperties Class Reference

#include <AtomTyper.h>

Public Member Functions
	MMFFAtomProperties ()
	~MMFFAtomProperties ()=default

Public Attributes
std::uint8_t	mmffAtomType {0}
double	mmffFormalCharge {0.0}
double	mmffPartialCharge {0.0}

Detailed Description

Definition at line 57 of file MMFF/AtomTyper.h.

Constructor & Destructor Documentation

MMFFAtomProperties()

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

inline

Definition at line 59 of file MMFF/AtomTyper.h.

~MMFFAtomProperties()

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

default

Member Data Documentation

mmffAtomType

std::uint8_t RDKit::MMFF::MMFFAtomProperties::mmffAtomType {0}

Definition at line 61 of file MMFF/AtomTyper.h.

mmffFormalCharge

double RDKit::MMFF::MMFFAtomProperties::mmffFormalCharge {0.0}

Definition at line 62 of file MMFF/AtomTyper.h.

mmffPartialCharge

double RDKit::MMFF::MMFFAtomProperties::mmffPartialCharge {0.0}

Definition at line 63 of file MMFF/AtomTyper.h.

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

• MMFF/AtomTyper.h