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GcuAtomicRadius Struct Reference

#include <chemistry.h>

List of all members.

Public Attributes

unsigned char Z
enum gcu_radius_type type
double 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 99 of file chemistry.h.


Member Data Documentation

char GcuAtomicRadius::charge
 

The charge of the atom (or ion). Definition at line 108 of file chemistry.h.

char GcuAtomicRadius::cn
 

the coordination number of the atom or -1 if unknown. Definition at line 112 of file chemistry.h.

char* GcuAtomicRadius::scale
 

The scale name, e.g. "Pauling" or "Shannon". Definition at line 110 of file chemistry.h.

enum gcu_spin_state GcuAtomicRadius::spin
 

The spin state (unknown, low or high). Definition at line 114 of file chemistry.h.

enum gcu_radius_type GcuAtomicRadius::type
 

The radius type (unknown, ionic, metallic, covalent, or van der Waals). Definition at line 104 of file chemistry.h.

double GcuAtomicRadius::value
 

The radius value in pm. Definition at line 106 of file chemistry.h.

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

unsigned char GcuAtomicRadius::Z
 

The atomic number. Definition at line 102 of file chemistry.h.


The documentation for this struct was generated from the following file:
Generated on Tue Sep 21 14:59:35 2004 for The Gnome Chemistry Utils by doxygen 1.3.8