RDKit: RDKit::GasteigerParams Class Reference

| RDKit Open-source cheminformatics and machine learning.

Loading...
Searching...
No Matches
Public Member Functions | Static Public Member Functions | List of all members
RDKit::GasteigerParams Class Reference

`#include <GasteigerParams.h>`

## Public Member Functions
| ~GasteigerParams ()
DOUBLE_VECT | getParams (std::string elem, std::string mode, bool throwOnFailure=false) const
| GasteigerParams (std::string paramData="")

## Static Public Member Functions
static const GasteigerParams * | getParams (const std::string &paramData="")

## Detailed Description

Definition at line 30 of file GasteigerParams.h.

## Constructor & Destructor Documentation

## ◆ ~GasteigerParams()

RDKit::GasteigerParams::~GasteigerParams | ( |  | ) |
| inline

Definition at line 45 of file GasteigerParams.h.

## ◆ GasteigerParams()

RDKit::GasteigerParams::GasteigerParams | ( | std::string | paramData = "" | ) |

References GasteigerParams(), and RDKit::paramData.

Referenced by GasteigerParams(), and getParams().

## Member Function Documentation

## ◆ getParams() [1/2]

static const GasteigerParams * RDKit::GasteigerParams::getParams | ( | const std::string & | paramData = "" | ) |
| static

References GasteigerParams(), and RDKit::paramData.

## ◆ getParams() [2/2]

DOUBLE_VECT RDKit::GasteigerParams::getParams | ( | std::string | elem,
|  | std::string | mode,
|  | bool | throwOnFailure = false ) const
| inline

Definition at line 47 of file GasteigerParams.h.

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

- GasteigerParams.h