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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 98 of file chemistry.h.


Member Data Documentation

char GcuAtomicRadius::charge
 

The charge of the atom (or ion).

Definition at line 107 of file chemistry.h.

char GcuAtomicRadius::cn
 

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

Definition at line 111 of file chemistry.h.

char* GcuAtomicRadius::scale
 

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

Definition at line 109 of file chemistry.h.

enum gcu_spin_state GcuAtomicRadius::spin
 

The spin state (unknown, low or high).

Definition at line 113 of file chemistry.h.

enum gcu_radius_type GcuAtomicRadius::type
 

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

Definition at line 103 of file chemistry.h.

double GcuAtomicRadius::value
 

The radius value in pm.

Definition at line 105 of file chemistry.h.

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

unsigned char GcuAtomicRadius::Z
 

The atomic number.

Definition at line 101 of file chemistry.h.


The documentation for this struct was generated from the following file:
Generated on Sat Feb 7 21:47:56 2004 for The Gnome Chemistry Utils by doxygen 1.3.3