#include <chemistry.h>
Public Attributes | |
unsigned char | Z |
enum gcu_radius_type | type |
GcuDimensionalValue | value |
char | charge |
char * | scale |
char | cn |
enum gcu_spin_state | spin |
Definition at line 128 of file chemistry.h.
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.
The spin state (unknown, low or high).
Definition at line 143 of file chemistry.h.
The radius type (unknown, ionic, metallic, covalent, or van der Waals).
Definition at line 133 of file chemistry.h.
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.