Clipper
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clipper::HKL_sampling Class Reference

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)
 

Detailed Description

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.

Constructor & Destructor Documentation

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.

Member Function Documentation

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.

Returns
Limiting h,k,l.
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.

Returns
The resolution.

The documentation for this class was generated from the following files: