#include <HKLGenerator.h>

Classes
class	const_iterator
	The const_iterator class. More...

Public Member Functions
const const_iterator &	begin () const
	Returns an iterator to the beginning of the sequence. More...

const const_iterator &	end () const
	Returns an iterator which "points at" one element past the end. More...

	HKLGenerator (const Kernel::V3D &hklMin, const Kernel::V3D &hklMax)
	Constructs a generator that creates all indices from hklMin to hklMax. More...

	HKLGenerator (const Kernel::V3D &hklMinMax)
	Constructs a generator that creates all indices from -hklMinMax to hklMinMax. More...

	HKLGenerator (const UnitCell &unitCell, double dMin)
	Constructs a generator that creates all indices for the given cell up to dMin. More...

	HKLGenerator (int hMinMax, int kMinMax, int lMinMax)
	Constructs a generator that creates all indices from -h,-k,-l to h,k,l. More...

size_t	size () const
	Returns the number of HKLs to be generated. More...

virtual	~HKLGenerator ()=default

Private Member Functions
const_iterator	getBeginIterator () const
	Constructs an iterator that points to the beginning of the sequence. More...

Kernel::V3D	getEndHKL () const
	Returns the HKL "one past the maximum". More...

const_iterator	getEndIterator () const
	Constructs an iterator that points to an HKL one past the maximum. More...

size_t	getSize (const Kernel::V3D &min, const Kernel::V3D &max) const
	Returns the number of indices between min and max. More...

Private Attributes
const_iterator	m_begin

const_iterator	m_end

Kernel::V3D	m_hklMax

Kernel::V3D	m_hklMin

size_t	m_size

Detailed Description

HKLGenerator.

HKLGenerator is a pseudo-container that helps in generating actual containers with V3D-objects representing Miller indices (HKL).

It's a common task to generate lists of Miller indices. The simplest way of doing that is to simply create a nested loop structure that goes through all combinations of H, K, L within some limits and then put them into a container (vector, list, set, ...):

for(int h = -hmin; h <= hmax; ++h) { for(int k = -kmin; k <= kmax; ++k) { for(int l = -lmin; l <= lmax; ++l) { hkls.emplace_back(h, k, l); } } }

In most cases the list is not used like that, instead it's filtered using some criteria, for example a certain range of d-spacings or others, so the reflection needs to be checked first:

... hkl = V3D(h, k, l) if(isOk(hkl)) { hkls.emplace_back(hkl); } ...

Instead of explicitly stating the triple-loop, HKLGenerator provides a shorter way for this process using a const_iterator. The first code example then becomes this:

HKLGenerator generator(V3D(hmin, kmin, lmin), V3D(hmax, kmax, lmax)); for(auto hkl = generator.begin(); hkl != generator.end(); ++hkl) { hkls.emplace_back(*hkl); }

Or even shorter, using std::copy:

HKLGenerator generator(V3D(hmin, kmin, lmin), V3D(hmax, kmax, lmax)); std::copy(generator.begin(), generator.end(), std::back_inserter(hkls));

It's also possible to use filters this way, but in a much easier fashion, using std::copy_remove_if (pre C++11) or std::copy_if (C++11):

pre C++11 std::copy_remove_if(generator.begin(), generator.end(), std::back_inserter(hkls), isNotOk)

C++11 std::copy_if(generator.begin(), generator.end(), std::back_inserter(hkls), isOk)

See the documentation for HKLFilter for more details on how to perform actual filtering.

Please be aware that the iterator increments infinitely if it passes the specified maximimum HKL. In that case K and L remain constant while H is incremented (until it overflows).

@author Michael Wedel, ESS
@date 23/09/2015

Definition at line 82 of file HKLGenerator.h.

Constructor & Destructor Documentation

◆ HKLGenerator() [1/4]

Mantid::Geometry::HKLGenerator::HKLGenerator	(	const Kernel::V3D &	hklMin,
		const Kernel::V3D &	hklMax
	)

Constructs a generator that creates all indices from hklMin to hklMax.

Definition at line 14 of file HKLGenerator.cpp.

◆ HKLGenerator() [2/4]

Mantid::Geometry::HKLGenerator::HKLGenerator ( const Kernel::V3D & hklMinMax )

Constructs a generator that creates all indices from -hklMinMax to hklMinMax.

Definition at line 20 of file HKLGenerator.cpp.

◆ HKLGenerator() [3/4]

Mantid::Geometry::HKLGenerator::HKLGenerator	(	int	hMinMax,
		int	kMinMax,
		int	lMinMax
	)

Constructs a generator that creates all indices from -h,-k,-l to h,k,l.

Definition at line 25 of file HKLGenerator.cpp.

References getBeginIterator(), getEndIterator(), getSize(), m_begin, m_end, m_hklMax, m_hklMin, and m_size.

◆ HKLGenerator() [4/4]

Mantid::Geometry::HKLGenerator::HKLGenerator	(	const UnitCell &	unitCell,
		double	dMin
	)

Constructs a generator that creates all indices for the given cell up to dMin.

Definition at line 35 of file HKLGenerator.cpp.

References getBeginIterator(), getEndIterator(), getSize(), m_begin, m_end, m_hklMax, m_hklMin, and m_size.

◆ ~HKLGenerator()

virtual Mantid::Geometry::HKLGenerator::~HKLGenerator ( )

virtualdefault

Member Function Documentation

◆ begin()

const const_iterator & Mantid::Geometry::HKLGenerator::begin ( ) const

inline

Returns an iterator to the beginning of the sequence.

Definition at line 143 of file HKLGenerator.h.

Referenced by Mantid::Crystal::PredictSatellitePeaks::exec(), Mantid::Crystal::PredictPeaks::fillPossibleHKLsUsingGenerator(), Mantid::Geometry::ReflectionGenerator::getHKLs(), and Mantid::Geometry::ReflectionGenerator::getUniqueHKLs().

◆ end()

const const_iterator & Mantid::Geometry::HKLGenerator::end ( ) const

inline

Returns an iterator which "points at" one element past the end.

Definition at line 146 of file HKLGenerator.h.

Referenced by Mantid::Crystal::PredictSatellitePeaks::exec(), Mantid::Crystal::PredictPeaks::fillPossibleHKLsUsingGenerator(), Mantid::Geometry::ReflectionGenerator::getHKLs(), and Mantid::Geometry::ReflectionGenerator::getUniqueHKLs().

◆ getBeginIterator()

HKLGenerator::const_iterator Mantid::Geometry::HKLGenerator::getBeginIterator ( ) const

private

Constructs an iterator that points to the beginning of the sequence.

Definition at line 51 of file HKLGenerator.cpp.

References m_hklMax, and m_hklMin.

Referenced by HKLGenerator().

◆ getEndHKL()

V3D Mantid::Geometry::HKLGenerator::getEndHKL ( ) const

private

Returns the HKL "one past the maximum".

Definition at line 59 of file HKLGenerator.cpp.

References m_hklMax, m_hklMin, Mantid::Kernel::V3D::X(), Mantid::Kernel::V3D::Y(), and Mantid::Kernel::V3D::Z().

Referenced by getEndIterator().

◆ getEndIterator()

HKLGenerator::const_iterator Mantid::Geometry::HKLGenerator::getEndIterator ( ) const

private

Constructs an iterator that points to an HKL one past the maximum.

Definition at line 56 of file HKLGenerator.cpp.

References getEndHKL().

Referenced by HKLGenerator().

◆ getSize()

size_t Mantid::Geometry::HKLGenerator::getSize	(	const Kernel::V3D &	min,
		const Kernel::V3D &	max
	)		const

private

Returns the number of indices between min and max.

Definition at line 45 of file HKLGenerator.cpp.

References Mantid::Kernel::V3D::X(), Mantid::Kernel::V3D::Y(), and Mantid::Kernel::V3D::Z().

Referenced by HKLGenerator().

◆ size()

size_t Mantid::Geometry::HKLGenerator::size ( ) const

inline

Returns the number of HKLs to be generated.

Definition at line 140 of file HKLGenerator.h.

References m_size.

Referenced by Mantid::Crystal::PredictSatellitePeaks::exec(), Mantid::Crystal::PredictPeaks::fillPossibleHKLsUsingGenerator(), Mantid::Geometry::ReflectionGenerator::getHKLs(), and Mantid::Geometry::ReflectionGenerator::getUniqueHKLs().

Member Data Documentation

◆ m_begin

const_iterator Mantid::Geometry::HKLGenerator::m_begin

private

Definition at line 160 of file HKLGenerator.h.

Referenced by HKLGenerator().

◆ m_end

const_iterator Mantid::Geometry::HKLGenerator::m_end

private

Definition at line 161 of file HKLGenerator.h.

Referenced by HKLGenerator().

◆ m_hklMax

Kernel::V3D Mantid::Geometry::HKLGenerator::m_hklMax

private

Definition at line 156 of file HKLGenerator.h.

Referenced by getBeginIterator(), getEndHKL(), and HKLGenerator().

◆ m_hklMin

Kernel::V3D Mantid::Geometry::HKLGenerator::m_hklMin

private

Definition at line 155 of file HKLGenerator.h.

Referenced by getBeginIterator(), getEndHKL(), and HKLGenerator().

◆ m_size

size_t Mantid::Geometry::HKLGenerator::m_size

private

Definition at line 158 of file HKLGenerator.h.

Referenced by HKLGenerator().

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

Framework/Geometry/inc/MantidGeometry/Crystal/HKLGenerator.h
Framework/Geometry/src/Crystal/HKLGenerator.cpp

Classes

Public Member Functions

Private Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ HKLGenerator() [1/4]

◆ HKLGenerator() [2/4]

◆ HKLGenerator() [3/4]

◆ HKLGenerator() [4/4]

◆ ~HKLGenerator()

Member Function Documentation

◆ begin()

◆ end()

◆ getBeginIterator()

◆ getEndHKL()

◆ getEndIterator()

◆ getSize()

◆ size()

Member Data Documentation

◆ m_begin

◆ m_end

◆ m_hklMax

◆ m_hklMin

◆ m_size