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
Friends
int	operator== (const HKL_sampling &h1, const HKL_sampling &h2)

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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.

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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.

References clipper::Cell::a_star(), clipper::Cell::alpha_star(), clipper::Cell::b_star(), clipper::Cell::beta_star(), clipper::Cell::c_star(), clipper::Cell::gamma_star(), and clipper::Resolution::invresolsq_limit().

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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.

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.

Returns:

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().

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

• coords.h
• coords.cpp