RDKit
Open-source cheminformatics and machine learning.
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 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: