#include <gromacs/math/include/gromacs/math/multidimarray.h>

Description

template<class TContainer, class Extents, class LayoutPolicy = layout_right>
class gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >

Multidimensional array that manages its own memory.

Note: No bounds checking when accessing memory; That the view holds a valid pointer to the data is a class invariant.

The Container type that stores the data may be resizable (std::vector or similar) or static (std::array or similar). Copy and move assignment routines as well as swapping are designed to yield good performances in both cases, notably foregoing the copy-swap idiom due to the bad performance in swapping std::array.

This class avoids throwing exceptions, apart from the ones that might be thrown from the containers during resizing an allocation. (bad_malloc from std::vector is a likely candidate)

Holds as many elements as required by a multidimensional view.

Template Parameters

TContainer	Data type container for the data to be stored as MultiDimArray with random element access and value_type, reference and const_reference exposed
Extents	An extents class describing the array dimensions as used in module_mdspan
LayoutPolicy	The data layout as in module_mdspan describes translation of indices to memory offset. Defaults to right aligned, so that the right-most index is contiguous in memory.

Public Types
using	value_type = typename TContainer::value_type
	the type of values that are stored

using	reference = typename TContainer::reference
	reference type to the stored values

using	const_reference = typename TContainer::const_reference
	const reference type to the stored values

using	view_type = basic_mdspan< value_type, Extents, LayoutPolicy >
	the view used to access the data

using	const_view_type = basic_mdspan< const value_type, Extents, LayoutPolicy >
	const view on the data

using	iterator = typename ArrayRef< value_type >::iterator
	Iterator type for contiguous iteration over the stored data. Used, e.g., in free begin and end functions.

using	const_iterator = const typename ArrayRef< const value_type >::const_iterator
	Const iterator type for contiguous iteration over the stored data. used, e.g., in free begin and end functions.

Public Member Functions
template<class... IndexType, typename T = TContainer, typename = typename std::enable_if_t<detail::is_resizable_v<T>>>
	MultiDimArray (IndexType...dynamicExtent)
	Allocate dynamic array data and set view with the dynamic extents. More...

template<typename T = TContainer, typename = typename std::enable_if_t<!detail::is_resizable_v<T>>>
constexpr	MultiDimArray (const TContainer &data={}) noexcept
	Construction from fixed sized arrays if the array size is static and layout policy allows compile time determination of the container size. More...

constexpr	MultiDimArray (const MultiDimArray &o)
	Copy constructor.

	MultiDimArray (MultiDimArray &&o) noexcept
	Move constructor.

MultiDimArray &	operator= (const MultiDimArray &o)
	Copy assignment.

MultiDimArray &	operator= (MultiDimArray &&o) noexcept
	Move assignment.

void	swap (MultiDimArray &o) noexcept
	Swaps content with other.

template<class... IndexType>
void	resize (IndexType...dynamicExtent)
	Resize the dynamic extents of the array if any and set container size accordingly. More...

template<class... IndexType>
reference	operator() (IndexType...index) noexcept
	Data access via multidimensional indices. This allows referencing rank R array elements as array(x_0,x_1,x_2, .., x_R) More...

template<class... IndexType>
constexpr const_reference	operator() (IndexType...index) const noexcept
	Const data access via multidimensional indices. This allows referencing rank R array elements as array(x_0,x_1,x_2, .., x_R) More...

ArrayRef< value_type >	toArrayRef ()
	Contiguous access to the data. More...

constexpr ArrayRef< const value_type >	toArrayRef () const
	Contiguous const access to the data. More...

constexpr view_type::index_type	extent (int k) const noexcept
	Return the extent. More...

constexpr view_type	asView () noexcept
	Conversion to multidimensional view on the data.

constexpr const_view_type	asConstView () const noexcept
	Conversion to const multidimensional view on the data.

Constructor & Destructor Documentation

template<class TContainer, class Extents, class LayoutPolicy = layout_right>

template<class... IndexType, typename T = TContainer, typename = typename std::enable_if_t<detail::is_resizable_v<T>>>

gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >::MultiDimArray ( IndexType... dynamicExtent )

inline

Allocate dynamic array data and set view with the dynamic extents.

Parameters

[in] dynamicExtent A parameter pack that describes the dynamic size of the array. Empty if purely static.

Template Parameters

IndexType Parameter pack type holding the dynamic extents of the multidimensional array

template<class TContainer, class Extents, class LayoutPolicy = layout_right>

template<typename T = TContainer, typename = typename std::enable_if_t<!detail::is_resizable_v<T>>>

constexpr gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >::MultiDimArray ( const TContainer & data = {} )

inlinenoexcept

Construction from fixed sized arrays if the array size is static and layout policy allows compile time determination of the container size.

Enables the expected initialization MultiDimArray<std::array<float, 9>, extents<3,3>> arr = {{1,2...}}

Template Parameters

T	Template parameter for activation via SFINAE.

Member Function Documentation

template<class TContainer, class Extents, class LayoutPolicy = layout_right>

constexpr view_type::index_type gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >::extent ( int k ) const

inlinenoexcept

Return the extent.

Parameters

[in] k dimension to query for extent

Returns: extent along specified dimension

template<class TContainer, class Extents, class LayoutPolicy = layout_right>

template<class... IndexType>

reference gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >::operator() ( IndexType... index )

inlinenoexcept

Data access via multidimensional indices. This allows referencing rank R array elements as array(x_0,x_1,x_2, .., x_R)

Parameters

[in] index multidimensional indices as parameter pack the number of parameters must match the rank of the array.

Returns: reference to array element

template<class TContainer, class Extents, class LayoutPolicy = layout_right>

template<class... IndexType>

constexpr const_reference gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >::operator() ( IndexType... index ) const

inlinenoexcept

Const data access via multidimensional indices. This allows referencing rank R array elements as array(x_0,x_1,x_2, .., x_R)

Parameters

[in] index multidimensional indices as parameter pack the number of parameters must match the rank of the array.

Returns: const reference to array element

template<class TContainer, class Extents, class LayoutPolicy = layout_right>

template<class... IndexType>

void gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >::resize ( IndexType... dynamicExtent )

inline

Resize the dynamic extents of the array if any and set container size accordingly.

Invalidates data and views of this array.

Parameters

[in] dynamicExtent A parameter pack that describes the dynamic size of the array. Empty if purely static.

Template Parameters

IndexType Parameter pack type holding the dynamic extents of the multidimensional array

template<class TContainer, class Extents, class LayoutPolicy = layout_right>

ArrayRef<value_type> gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >::toArrayRef ( )

inline

Contiguous access to the data.

Returns: ArrayRef to stored data.

template<class TContainer, class Extents, class LayoutPolicy = layout_right>

constexpr ArrayRef<const value_type> gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >::toArrayRef ( ) const

inline

Contiguous const access to the data.

Returns: ArrayRef to stored data.

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

src/gromacs/math/include/gromacs/math/multidimarray.h

Description

template<class TContainer, class Extents, class LayoutPolicy = layout_right> class gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >

Public Types

Public Member Functions

Constructor & Destructor Documentation

Member Function Documentation

template<class TContainer, class Extents, class LayoutPolicy = layout_right>
class gmx::MultiDimArray< TContainer, Extents, LayoutPolicy >