GasteigerParams.h File Reference

#include <RDGeneral/types.h>
#include <RDGeneral/Exceptions.h>
#include <string>
#include <map>

Go to the source code of this file.

Classes
class	RDKit::GasteigerParams

Namespaces
	RDKit
	Includes a bunch of functionality for handling Atom and Bond queries.

Variables
std::string	RDKit::paramData
std::string	RDKit::additionalParamData
const double	RDKit::IONXH = 20.02
const double	RDKit::DAMP_SCALE = 0.5
const double	RDKit::DAMP = 0.5