RDKit
Open-source cheminformatics and machine learning.
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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 GasteigerParamsgetParams (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 = "")

Member Function Documentation

◆ getParams() [1/2]

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

◆ 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: