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 * scale
char cn
enum gcu_spin_state spin


Detailed Description

GcuAtomicRadius Structure used to describe an atomic radius.

Definition at line 128 of file chemistry.h.


Member Data Documentation

char GcuAtomicRadius::charge

The charge of the atom (or ion).

Definition at line 137 of file chemistry.h.

char GcuAtomicRadius::cn

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

Definition at line 141 of file chemistry.h.

char* GcuAtomicRadius::scale

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

Definition at line 139 of file chemistry.h.

enum gcu_spin_state GcuAtomicRadius::spin

The spin state (unknown, low or high).

Definition at line 143 of file chemistry.h.

enum gcu_radius_type GcuAtomicRadius::type

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

Definition at line 133 of file chemistry.h.

GcuDimensionalValue GcuAtomicRadius::value

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

Definition at line 135 of file chemistry.h.

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

unsigned char GcuAtomicRadius::Z

The atomic number.

Definition at line 131 of file chemistry.h.


The documentation for this struct was generated from the following file:
Generated on Tue Aug 15 10:47:36 2006 for The Gnome Chemistry Utils by  doxygen 1.4.7