Open-source cheminformatics and machine learning.
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 ( )

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

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

Definition at line 34 of file MMFF/AtomTyper.h.

Member Data Documentation

boost::uint8_t RDKit::MMFF::MMFFAtomProperties::mmffAtomType

Definition at line 34 of file MMFF/AtomTyper.h.

double RDKit::MMFF::MMFFAtomProperties::mmffFormalCharge

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

double RDKit::MMFF::MMFFAtomProperties::mmffPartialCharge

Definition at line 37 of file MMFF/AtomTyper.h.

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