The Gnome Chemistry Utils 0.13.3
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#include <chemistry.h>
Public Attributes | |
unsigned char | Z |
enum gcu_radius_type | type |
GcuDimensionalValue | value |
char | charge |
char const * | scale |
char | cn |
enum gcu_spin_state | spin |
GcuAtomicRadius Structure used to describe an atomic radius.
Definition at line 133 of file chemistry.h.
The charge of the atom (or ion).
Definition at line 142 of file chemistry.h.
char GcuAtomicRadius::cn |
the coordination number of the atom or -1 if unknown.
Definition at line 146 of file chemistry.h.
char const* GcuAtomicRadius::scale |
The scale name, e.g. "Pauling" or "Shannon".
Definition at line 144 of file chemistry.h.
The spin state (unknown, low or high).
Definition at line 148 of file chemistry.h.
The radius type (unknown, ionic, metallic, covalent, or van der Waals).
Definition at line 138 of file chemistry.h.
The radius value (the unit should always be pm).
Definition at line 140 of file chemistry.h.
Referenced by gcr::Atom::r().
unsigned char GcuAtomicRadius::Z |
The atomic number.
Definition at line 136 of file chemistry.h.