#include <chemistry.h>

Detailed Description

GcuAtomicRadius Structure used to describe an atomic radius.

Definition at line 134 of file chemistry.h.

Member Data Documentation

char GcuAtomicRadius::charge

The charge of the atom (or ion).

Definition at line 143 of file chemistry.h.

char GcuAtomicRadius::cn

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

Definition at line 147 of file chemistry.h.

char const* GcuAtomicRadius::scale

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

Definition at line 145 of file chemistry.h.

enum gcu_spin_state GcuAtomicRadius::spin

The spin state (unknown, low or high).

Definition at line 149 of file chemistry.h.

enum gcu_radius_type GcuAtomicRadius::type

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

Definition at line 139 of file chemistry.h.

GcuDimensionalValue GcuAtomicRadius::value

The radius value (the unit should always be pm).

Definition at line 141 of file chemistry.h.

Referenced by gcr::Atom::r().

unsigned char GcuAtomicRadius::Z

The atomic number.

Definition at line 137 of file chemistry.h.

The documentation for this struct was generated from the following file: