Clipper
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HKL sampling of reciprocal space. More...
#include <coords.h>
Public Member Functions | |
HKL_sampling () | |
null constructor More... | |
HKL_sampling (const Cell &cell, const Resolution &resolution) | |
constructor: takes parameters of normal or inverse cell More... | |
HKL | hkl_limit () const |
return limiting values of H, K, L More... | |
Resolution | resolution (const Cell &cell) const |
return approximate resolution given cell More... | |
bool | in_resolution (const HKL &h) const |
test if a reflection is within the resolution limit | |
bool | is_null () const |
test if object has been initialised | |
String | format () const |
return formatted String representation | |
Friends | |
int | operator== (const HKL_sampling &h1, const HKL_sampling &h2) |
HKL sampling of reciprocal space.
The HKL_sampling class uniquely describes a P0 reflection list bounded by some resolution limit in reciprocal space. It is described in terms of large integers, and so immune from rounding errors once the object is constructed.
clipper::HKL_sampling::HKL_sampling | ( | ) |
null constructor
Null constructor
Initialise to 'null'
clipper::HKL_sampling::HKL_sampling | ( | const Cell & | cell, |
const Resolution & | resolution | ||
) |
constructor: takes parameters of normal or inverse cell
Initialise using cell and resolution.
HKL clipper::HKL_sampling::hkl_limit | ( | ) | const |
return limiting values of H, K, L
Returned HKL contains maximum possible values of H, K, L respectively.
Resolution clipper::HKL_sampling::resolution | ( | const Cell & | cell | ) | const |
return approximate resolution given cell
Returned resolution is an estimate based on highest reflection in list.