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clipper::HKL_sampling Class Reference

HKL sampling of reciprocal space. More...

#include <coords.h>

List of all members.

Public Member Functions

 HKL_sampling ()
 null constructor
 HKL_sampling (const Cell &cell, const Resolution &resolution)
 constructor: takes parameters of normal or inverse cell
HKL hkl_limit () const
 return limiting values of H, K, L
Resolution resolution (const Cell &cell) const
 return approximate resolution given cell
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


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 

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.

Limiting h,k,l.

References clipper::Util::isqrt().

Referenced by clipper::HKL_info::init(), and resolution().

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.

The resolution.

References clipper::HKL::h(), hkl_limit(), in_resolution(), clipper::HKL::invresolsq(), clipper::HKL::k(), clipper::HKL::l(), and clipper::Util::max().

Referenced by clipper::HKL_info::init(), and clipper::HKL_data_base::init().

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