.. index:: pair: class; rgpot::types::AtomMatrix
.. _doxid-classrgpot_1_1types_1_1_atom_matrix:

class rgpot::types::AtomMatrix
==============================

.. toctree::
	:hidden:

Overview
~~~~~~~~

A lightweight row-major matrix class for atomic data. :ref:`More...<details-classrgpot_1_1types_1_1_atom_matrix>`


.. ref-code-block:: cpp
	:class: doxyrest-overview-code-block

	#include <AtomMatrix.hpp>
	
	class AtomMatrix {
	public:
		// construction
	
		:ref:`AtomMatrix<doxid-classrgpot_1_1types_1_1_atom_matrix_1a8c101eba7749e289067bdeaaeae46e0c>`();
		:ref:`AtomMatrix<doxid-classrgpot_1_1types_1_1_atom_matrix_1a476e46843f9fe74a38d99c2089935516>`(std::initializer_list<std::initializer_list<double>> list);
		:ref:`AtomMatrix<doxid-classrgpot_1_1types_1_1_atom_matrix_1a4309adcdf53934e26ab8eac575547eab>`(size_t rows, size_t cols);

		// methods
	
		double& :ref:`operator()<doxid-classrgpot_1_1types_1_1_atom_matrix_1a4739be3f423b51418f81274732f4fe2f>`(size_t row, size_t col);
		const double& :ref:`operator()<doxid-classrgpot_1_1types_1_1_atom_matrix_1ab012bd103fff58ae5628de3019a9ce44>`(size_t row, size_t col) const;
		size_t :ref:`rows<doxid-classrgpot_1_1types_1_1_atom_matrix_1a10be77d450b7c64acda49ea0acaec003>`() const;
		size_t :ref:`cols<doxid-classrgpot_1_1types_1_1_atom_matrix_1ae955502629a5a0946ecadfe08d81d316>`() const;
		size_t :ref:`size<doxid-classrgpot_1_1types_1_1_atom_matrix_1a058094707e53d5d40785bf5f46cf528c>`() const;
		double* :ref:`data<doxid-classrgpot_1_1types_1_1_atom_matrix_1abaa8f5f9f59a73913532efc894810f6a>`();
		const double* :ref:`data<doxid-classrgpot_1_1types_1_1_atom_matrix_1a1c90618b37cae46072f062a2a1b57980>`() const;
		static AtomMatrix :ref:`Zero<doxid-classrgpot_1_1types_1_1_atom_matrix_1acecda4c0cbfa45e5260e31a79c08373f>`(size_t rows, size_t cols);
	};
.. _details-classrgpot_1_1types_1_1_atom_matrix:

Detailed Documentation
~~~~~~~~~~~~~~~~~~~~~~

A lightweight row-major matrix class for atomic data.

Construction
------------

.. index:: pair: function; AtomMatrix
.. _doxid-classrgpot_1_1types_1_1_atom_matrix_1a8c101eba7749e289067bdeaaeae46e0c:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	AtomMatrix()

Default constructor.

.. index:: pair: function; AtomMatrix
.. _doxid-classrgpot_1_1types_1_1_atom_matrix_1a476e46843f9fe74a38d99c2089935516:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	AtomMatrix(std::initializer_list<std::initializer_list<double>> list)

Constructor for list initialization.



.. rubric:: Parameters:

.. list-table::
	:widths: 20 80

	*
		- list

		- The nested initializer list.

.. index:: pair: function; AtomMatrix
.. _doxid-classrgpot_1_1types_1_1_atom_matrix_1a4309adcdf53934e26ab8eac575547eab:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	AtomMatrix(size_t rows, size_t cols)

Constructor for a matrix of given dimensions.



.. rubric:: Parameters:

.. list-table::
	:widths: 20 80

	*
		- rows

		- Number of rows.

	*
		- cols

		- Number of columns.

Methods
-------

.. index:: pair: function; operator()
.. _doxid-classrgpot_1_1types_1_1_atom_matrix_1a4739be3f423b51418f81274732f4fe2f:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	double& operator()(size_t row, size_t col)

Access element for mutation.



.. rubric:: Parameters:

.. list-table::
	:widths: 20 80

	*
		- row

		- Row index.

	*
		- col

		- Column index.



.. rubric:: Returns:

Reference to the element.

.. index:: pair: function; operator()
.. _doxid-classrgpot_1_1types_1_1_atom_matrix_1ab012bd103fff58ae5628de3019a9ce44:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	const double& operator()(size_t row, size_t col) const

Access element for reading.



.. rubric:: Parameters:

.. list-table::
	:widths: 20 80

	*
		- row

		- Row index.

	*
		- col

		- Column index.



.. rubric:: Returns:

Const reference to the element.

.. index:: pair: function; rows
.. _doxid-classrgpot_1_1types_1_1_atom_matrix_1a10be77d450b7c64acda49ea0acaec003:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	size_t rows() const

Fetches the number of rows.



.. rubric:: Returns:

Row count.

.. index:: pair: function; cols
.. _doxid-classrgpot_1_1types_1_1_atom_matrix_1ae955502629a5a0946ecadfe08d81d316:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	size_t cols() const

Fetches the number of columns.



.. rubric:: Returns:

Column count.

.. index:: pair: function; size
.. _doxid-classrgpot_1_1types_1_1_atom_matrix_1a058094707e53d5d40785bf5f46cf528c:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	size_t size() const

Fetches the total number of elements.



.. rubric:: Returns:

Size of the underlying data vector.

.. index:: pair: function; data
.. _doxid-classrgpot_1_1types_1_1_atom_matrix_1abaa8f5f9f59a73913532efc894810f6a:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	double* data()

Fetches a pointer to the raw data for mutation.



.. rubric:: Returns:

Raw pointer to memory.

.. index:: pair: function; data
.. _doxid-classrgpot_1_1types_1_1_atom_matrix_1a1c90618b37cae46072f062a2a1b57980:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	const double* data() const

Fetches a pointer to the raw data for reading.



.. rubric:: Returns:

Const raw pointer to memory.

.. index:: pair: function; Zero
.. _doxid-classrgpot_1_1types_1_1_atom_matrix_1acecda4c0cbfa45e5260e31a79c08373f:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	static AtomMatrix Zero(size_t rows, size_t cols)

Creates a matrix initialized with zeroes.



.. rubric:: Parameters:

.. list-table::
	:widths: 20 80

	*
		- rows

		- Number of rows.

	*
		- cols

		- Number of columns.



.. rubric:: Returns:

A zero-initialized ``:ref:`AtomMatrix <doxid-classrgpot_1_1types_1_1_atom_matrix>```.