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

Friends

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]

return inverse resolution squared for this reflection in given cell

Note:
Normally you would get a value through clipper::HKL_info, unless you specifically want a value for a different cell.

Coord_reci_frac clipper::HKL::coord_reci_frac (  )  const [inline]

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

Returns:
The non-integer coordinate.

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

orthogonal-fractional reciprocal space coordinate conversion

Parameters:
cell The cell concerned
Returns:
The transformed coordinate.

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

return transformed hkl

Requires integer->ftype->integer transformation.

Parameters:
op The symmetry operator
Returns:
The transformed coordinate

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

return transformed hkl

Optimal version.

Parameters:
op The symmetry operator
Returns:
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.

Parameters:
hkl The reflection HKL to transform.
Returns:
The phase shift.

String clipper::HKL::format (  )  const

return formatted String representation

Returns:
The formatted text string

Reimplemented from clipper::Vec3< int >.


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

Generated on Fri Jun 12 18:03:40 2009 for Clipper by  doxygen 1.5.9