clipper::HKL Class Reference

reflection 'Miller' index More...

#include <coords.h>

Inheritance diagram for clipper::HKL:

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 ()
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
Public Member Functions inherited from clipper::Vec3< int >
	Vec3 ()
	null constructor
bool	equals (const Vec3< int > &v, const int &tol) const
	test equality
const int &	operator[] (const int &i) const
	get 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

l()

int & clipper::HKL::l ( )

inline

set l

invresolsq()

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()

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()

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.

transform() [1/2]

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

transform() [2/2]

HKL clipper::HKL::transform ( const Isymop & op ) const

inline

return transformed hkl

Optimal version.

Parameters

op	The symmetry operator

Returns

The transformed coordinate

sym_phase_shift()

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.

format()

String clipper::HKL::format

(

)

const

return formatted String representation

Returns

The formatted text string

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

• coords.h
• coords.cpp