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clipper::HKL Class Reference

reflection 'Miller' index More...

#include <coords.h>

Inheritance diagram for clipper::HKL:
clipper::Vec3< int >

List of all members.

Public Member Functions

 HKL ()
 null constructor
 HKL (const Vec3< int > &v)
 constructor: copy/convert
 HKL (const int &h, const int &k, const int &l)
 constructor: from H,K,L
const int & h () const
 get h
const int & k () const
 get k
const int & l () const
 get l
int & h ()
 set h
int & k ()
 set k
int & l ()
 set l
ftype invresolsq (const Cell &cell) const
 return inverse resolution squared for this reflection in given cell
Coord_reci_frac coord_reci_frac () const
 return fractional reciprocal coordinate (i.e. non-integer HKL)
Coord_reci_orth coord_reci_orth (const Cell &cell) const
 orthogonal-fractional reciprocal space coordinate conversion
HKL transform (const Symop &op) const
 return transformed hkl
HKL transform (const Isymop &op) const
 return transformed hkl
ftype sym_phase_shift (const Symop &op) const
 return symmetry phase shift for this HKL under op
String format () const
 return formatted String representation


HKL operator- (const HKL &h1)
HKL operator+ (const HKL &h1, const HKL &h2)
HKL operator- (const HKL &h1, const HKL &h2)
HKL operator* (const int &s, const HKL &h1)
HKL operator* (const Isymop &op, const HKL &h1)

Detailed Description

reflection 'Miller' index

Member Function Documentation

ftype clipper::HKL::invresolsq ( const Cell cell) const [inline]
Coord_reci_frac clipper::HKL::coord_reci_frac ( ) const [inline]

return fractional reciprocal coordinate (i.e. non-integer HKL)

The non-integer coordinate.

Referenced by coord_reci_orth().

Coord_reci_orth clipper::HKL::coord_reci_orth ( const Cell cell) const [inline]

orthogonal-fractional reciprocal space coordinate conversion

cellThe cell concerned
The transformed coordinate.

References coord_reci_frac(), and clipper::Coord_reci_frac::coord_reci_orth().

Referenced by clipper::BasisFn_log_aniso_gaussian::fderiv(), clipper::BasisFn_aniso_gaussian::fderiv(), and clipper::datatypes::Compute_scale_u_aniso< T >::operator()().

HKL clipper::HKL::transform ( const Symop op) const [inline]

return transformed hkl

Requires integer->ftype->integer transformation.

opThe symmetry operator
The transformed coordinate

References clipper::Coord_reci_frac::hkl(), and clipper::Coord_reci_frac::transform().

Referenced by clipper::Xmap< T >::fft_from(), clipper::HKL_info::find_sym(), clipper::HKL_class::HKL_class(), clipper::Test_core::operator()(), clipper::HKL_info::HKL_reference_coord::set_hkl(), and clipper::FFTmap::set_recip_data().

HKL clipper::HKL::transform ( const Isymop op) const [inline]

return transformed hkl

Optimal version.

opThe symmetry operator
The transformed coordinate
ftype clipper::HKL::sym_phase_shift ( const Symop op) const [inline]

return symmetry phase shift for this HKL under op

Get the symmetry phase shift incurred when transforming a reflection by this operator.

hklThe reflection HKL to transform.
The phase shift.

References clipper::RTop< T >::trn(), and clipper::Util::twopi().

Referenced by clipper::Xmap< T >::fft_from(), clipper::HKL_data< T >::get_data(), clipper::HKL_class::HKL_class(), clipper::HKL_data< T >::operator[](), clipper::HKL_data< T >::set_data(), and clipper::FFTmap::set_recip_data().

String clipper::HKL::format ( ) const

return formatted String representation

The formatted text string

Reimplemented from clipper::Vec3< int >.

References h(), k(), and l().

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