struct
#include <gemmi/small.hpp>
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Contents
- Reference
Public functions
-
auto orth(const gemmi::
UnitCell& cell_) const -> Position
Public variables
-
std::
string label -
std::
string type_symbol - Fractional fract
- double occ
- double u_iso
- SMat33<double> aniso
- int disorder_group
- Element element
- signed char charge