#include <chemistry.h>
Public Attributes | |
unsigned char | Z |
enum gcu_radius_type | type |
GcuValue | value |
char | charge |
char * | scale |
char | cn |
enum gcu_spin_state | spin |
Definition at line 129 of file chemistry.h.
|
The charge of the atom (or ion). Definition at line 138 of file chemistry.h. |
|
the coordination number of the atom or -1 if unknown. Definition at line 142 of file chemistry.h. |
|
The scale name, e.g. "Pauling" or "Shannon". Definition at line 140 of file chemistry.h. |
|
The spin state (unknown, low or high). Definition at line 144 of file chemistry.h. |
|
The radius type (unknown, ionic, metallic, covalent, or van der Waals). Definition at line 134 of file chemistry.h. |
|
The radius value (the unit should always be pm). Definition at line 136 of file chemistry.h. Referenced by gcu::CrystalAtom::r(). |
|
The atomic number. Definition at line 132 of file chemistry.h. |