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 = ""

)

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.

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

• GasteigerParams.h