#include <atominfo.h>
Inheritance diagram for AtomInfo
Public Methods | |
| AtomInfo () | |
| AtomInfo (const Ref< KeyVal > &) | |
| AtomInfo (StateIn &) | |
| ~AtomInfo () | |
| void | save_data_state (StateOut &s) |
| Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. More... | |
| double | vdw_radius (int Z) const |
| These return various measures of the atom's radius. | |
| double | bragg_radius (int Z) const |
| double | atomic_radius (int Z) const |
| double | maxprob_radius (int Z) const |
| double | vdw_radius_scale () const |
| Return the scale factor for the VdW radii. | |
| double | bragg_radius_scale () const |
| Return the scale factor for the Bragg radii. | |
| double | atomic_radius_scale () const |
| Return the scale factor for the atomic radii. | |
| double | maxprob_radius_scale () const |
| Return the scale factor for the maximum probability radii. | |
| double | rgb (int Z, int color) const |
| These return information about the color of the atom for visualization programs. | |
| double | red (int Z) const |
| double | green (int Z) const |
| double | blue (int Z) const |
| double | mass (int Z) const |
| This returns the mass of the most abundant isotope. | |
Static Public Methods | |
| const char* | name (int Z) |
| This returns the full name of the element. | |
| const char* | symbol (int Z) |
| This returns the symbol for the element. | |
| int | string_to_Z (const char *, int allow_exceptions=1) |
| This converts a name or symbol to the atomic number. | |
The information is kept in a file named atominfo.kv in the SC library directory. That information can be overridden by the user.
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Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. This must be implemented by the derived class if the class has data. Reimplemented from SavableState. |