RDKit: RDKit::MMFF::MMFFAtomProperties Class Reference

| RDKit Open-source cheminformatics and machine learning.

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Public Member Functions | Public Attributes | List of all members
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.

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

- MMFF/AtomTyper.h