SolventAtomDescriptor Class Reference
[Solvation methods, Solvation methods]

This struct contains the information for one atom type of the solvent. More...

#include <solventDescriptor.h>

List of all members.

Public Attributes
Atom::Type	type
	Atom type needed for assignment of Lennard-Jones Parameters.
String	element_symbol
	Element symbol of the atom.
float	radius
	Radius of the atom in units of Angstrom.
int	number_of_atoms
	Number of atoms of this kind within the solvent molecule.

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Detailed Description

This struct contains the information for one atom type of the solvent.