dftefe::atoms::OverlappingAtomIds< dim > Class Template Reference

Class to get the Ids of the Atoms overlapping a particular Processor for a particular field. Each Processor stores info of all the atoms. More...

#include <OverlappingAtomIds.h>

Public Member Functions
	OverlappingAtomIds (const std::vector< std::string, utils::Point > &mapAtomSymbolToCoordinates, const std::string fieldName, const utils::Point &minbound, const utils::Point &maxbound)
	Constructor. More...
	~OverlappingAtomIds ()=default
	Destructor. More...
std::vector< size_type >	getOverlappingAtomIdsWithinBox () const
	Function to return the vector. More...

Private Attributes
std::map< std::string, utils::Point >	d_mapAtomSymbolToCoordinates
std::string	d_fieldName
utils::Point	d_minbound
utils::Point	d_maxbound

Detailed Description

template<unsigned int dim>
class dftefe::atoms::OverlappingAtomIds< dim >

Class to get the Ids of the Atoms overlapping a particular Processor for a particular field. Each Processor stores info of all the atoms.

Constructor & Destructor Documentation

OverlappingAtomIds()

template<unsigned int dim>

dftefe::atoms::OverlappingAtomIds< dim >::OverlappingAtomIds	(	const std::vector< std::string, utils::Point > &	mapAtomSymbolToCoordinates,
		const std::string	fieldName,
		const utils::Point &	minbound,
		const utils::Point &	maxbound
	)

Constructor.

Parameters

[in]	mapAtomSymbolToCoordinates	Map from atomic symbol to input coordinates
[in]	fieldname	String defining the field that needs to be read from the atom's XML file
[in]	AtomSphericalDataContainer	take an object of the atomsphericaldatacontainer class
[in]	minbound	minimum limit of the processor boundary given
[in]	maxbound	maximum limit of the processor boundary given

Returns

getOverlappingAtomIdsWithinBox() returns the vectors of the overlappig atom Ids in a processor consIdering it a cuboId box with upper and lower bounds

~OverlappingAtomIds()

template<unsigned int dim>

dftefe::atoms::OverlappingAtomIds< dim >::~OverlappingAtomIds ( )

default

Destructor.

Member Function Documentation

getOverlappingAtomIdsWithinBox()

template<unsigned int dim>

std::vector< size_type > dftefe::atoms::OverlappingAtomIds< dim >::getOverlappingAtomIdsWithinBox

(

)

const

Function to return the vector.

Member Data Documentation

d_fieldName

template<unsigned int dim>

std::string dftefe::atoms::OverlappingAtomIds< dim >::d_fieldName

private

d_mapAtomSymbolToCoordinates

template<unsigned int dim>

std::map<std::string, utils::Point> dftefe::atoms::OverlappingAtomIds< dim >::d_mapAtomSymbolToCoordinates

private

d_maxbound

template<unsigned int dim>

utils::Point dftefe::atoms::OverlappingAtomIds< dim >::d_maxbound

private

d_minbound

template<unsigned int dim>

utils::Point dftefe::atoms::OverlappingAtomIds< dim >::d_minbound

private

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

• src/atoms/OverlappingAtomIds.h
• src/atoms/OverlappingAtomIds.t.cpp