Clipper
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clipper::HKL Class Reference

reflection 'Miller' index More...

#include <coords.h>

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

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 More...
 
Coord_reci_frac coord_reci_frac () const
 return fractional reciprocal coordinate (i.e. non-integer HKL) More...
 
Coord_reci_orth coord_reci_orth (const Cell &cell) const
 orthogonal-fractional reciprocal space coordinate conversion More...
 
HKL transform (const Symop &op) const
 return transformed hkl More...
 
HKL transform (const Isymop &op) const
 return transformed hkl More...
 
ftype sym_phase_shift (const Symop &op) const
 return symmetry phase shift for this HKL under op More...
 
String format () const
 return formatted String representation More...
 
- Public Member Functions inherited from clipper::Vec3< int >
 Vec3 ()
 null constructor
 
 Vec3 (const int &v0, const int &v1, const int &v2)
 constructor: from individual values
 
 Vec3 (const Vec3< TT > &v)
 constructor: copy/convert
 
bool equals (const Vec3< int > &v, const int &tol) const
 test equality
 
const int & operator[] (const int &i) const
 get element
 
int & operator[] (const int &i)
 set element
 
Vec3< int > unit () const
 return unit vector with same direction as this vector
 
bool is_null () const
 test for null vector
 
String format () const
 return formatted String representation
 
const Vec3< int > & operator+= (const Vec3< int > &v)
 add another vector to this one
 
const Vec3< int > & operator-= (const Vec3< int > &v)
 subtract another vector from this one
 

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)
 

Additional Inherited Members

- Static Public Member Functions inherited from clipper::Vec3< int >
static Vec3< int > zero ()
 return zero vector
 
static Vec3< int > null ()
 return null vector (only valid for floating point types)
 
static int dot (const Vec3< int > &v1, const Vec3< int > &v2)
 Vector dot product (equivalent to *)
 
static Vec3< int > cross (const Vec3< int > &v1, const Vec3< int > &v2)
 Vector cross product.
 

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
cellThe cell concerned
Returns
The transformed coordinate.
HKL clipper::HKL::transform ( const Symop op) const
inline

return transformed hkl

Requires integer->ftype->integer transformation.

Parameters
opThe symmetry operator
Returns
The transformed coordinate
HKL clipper::HKL::transform ( const Isymop op) const
inline

return transformed hkl

Optimal version.

Parameters
opThe 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
hklThe reflection HKL to transform.
Returns
The phase shift.
String clipper::HKL::format ( ) const

return formatted String representation

Returns
The formatted text string

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