Clipper
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Atomic scattering factor object. More...
#include <atomsf.h>
Public Member Functions | |
AtomSF (const String &type, const ftype u_iso=0.0, const ftype occ=1.0) | |
AtomSF (const String &type, const U_aniso_orth &u_aniso, const ftype occ=1.0) | |
void | init (const String &type, const ftype u_iso=0.0, const ftype occ=1.0) |
void | init (const String &type, const U_aniso_orth &u_aniso, const ftype occ=1.0) |
ftype | f_iso (const ftype &s) const |
ftype | f_aniso (const Coord_reci_orth &rfl) const |
ftype | rho_iso (const ftype &d2) const |
ftype | rho_aniso (const Coord_orth &uvw) const |
Atomic scattering factor object.