RDKit
Open-source cheminformatics and machine learning.
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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 60 of file MMFF/AtomTyper.h.

Constructor & Destructor Documentation

◆ MMFFAtomProperties()

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

Definition at line 62 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 64 of file MMFF/AtomTyper.h.

◆ mmffFormalCharge

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

Definition at line 65 of file MMFF/AtomTyper.h.

◆ mmffPartialCharge

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

Definition at line 66 of file MMFF/AtomTyper.h.

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