RDKit: RDKit::GasteigerParams Class Reference

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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 29 of file GasteigerParams.h.

## Constructor & Destructor Documentation

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

Definition at line 44 of file GasteigerParams.h.

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

Referenced by getParams().

## Member Function Documentation

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

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

Definition at line 46 of file GasteigerParams.h.

References GasteigerParams().

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

- GasteigerParams.h