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 132 of file chemistry.h.


Member Data Documentation

unsigned char GcuAtomicRadius::Z

The atomic number.

Definition at line 135 of file chemistry.h.

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

Definition at line 137 of file chemistry.h.

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

Definition at line 139 of file chemistry.h.

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

The charge of the atom (or ion).

Definition at line 141 of file chemistry.h.

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

Definition at line 143 of file chemistry.h.

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

Definition at line 145 of file chemistry.h.

The spin state (unknown, low or high).

Definition at line 147 of file chemistry.h.


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

Generated on Tue Mar 18 16:06:03 2008 for The Gnome Chemistry Utils by  doxygen 1.5.5