GcuAtomicRadius Struct Reference

#include <chemistry.h>

List of all members.

Public Attributes

unsigned char Z
enum gcu_radius_type type
GcuDimensionalValue value
char charge
char const * scale
char cn
enum gcu_spin_state spin


Detailed Description

GcuAtomicRadius Structure used to describe an atomic radius.

Definition at line 133 of file chemistry.h.


Member Data Documentation

The charge of the atom (or ion).

Definition at line 142 of file chemistry.h.

the coordination number of the atom or -1 if unknown.

Definition at line 146 of file chemistry.h.

The scale name, e.g. "Pauling" or "Shannon".

Definition at line 144 of file chemistry.h.

The spin state (unknown, low or high).

Definition at line 148 of file chemistry.h.

The radius type (unknown, ionic, metallic, covalent, or van der Waals).

Definition at line 138 of file chemistry.h.

The radius value (the unit should always be pm).

Definition at line 140 of file chemistry.h.

Referenced by gcu::CrystalAtom::r().

unsigned char GcuAtomicRadius::Z

The atomic number.

Definition at line 136 of file chemistry.h.


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

Generated on Fri Sep 24 15:58:42 2010 for The Gnome Chemistry Utils by  doxygen 1.5.9