Class to manage the storage of ljc-, charge-, dipole- and quadrupole-data in one single AlignedArrayTriplet. More...

Public Member Functions
	ConcatenatedSites (size_t ljc_num=0, size_t charges_num=0, size_t dipoles_num=0, size_t quadrupoles_num=0)

vcp_inline T *	getBeginPointer (ConcSites::SiteType st, ConcSites::CoordinateType coord)
	Get a Pointer to the beginning of the specified data. More...

vcp_inline const T *	getBeginPointer (ConcSites::SiteType st, ConcSites::CoordinateType coord) const

vcp_inline std::array< T, 3 >	getTriplet (ConcSites::SiteType st, size_t index) const
	Get the value triplet X,Y,Z of ConcSites::SiteType st at position index.

vcp_inline void	setTriplet (std::array< T, 3 > values, ConcSites::SiteType st, size_t index)
	Set the value triplet X,Y,Z of ConcSites::SiteType st at position index to given values.

void	resize (size_t ljc_num, size_t charges_num, size_t dipoles_num, size_t quadrupoles_num)
	Resize the ConcatenatedSites to have enough space for the given number of elements. More...

size_t	get_dynamic_memory () const
	Get the size of currently occupied memory. More...

Detailed Description

template<typename T>
class ConcatenatedSites< T >

Class to manage the storage of ljc-, charge-, dipole- and quadrupole-data in one single AlignedArrayTriplet.

Template Parameters

T	The type which is to be stored in the Arrays

Member Function Documentation

template<typename T >

size_t ConcatenatedSites< T >::get_dynamic_memory ( ) const

inline

Get the size of currently occupied memory.

template<typename T >

vcp_inline T* ConcatenatedSites< T >::getBeginPointer	(	ConcSites::SiteType	st,
		ConcSites::CoordinateType	coord
	)

inline

Get a Pointer to the beginning of the specified data.

Template Parameters

st	Specify which of the four site-types you would like to access. See enum ConcSites::SiteType for possible values
coord	Indicates which of the 3 coordinates one needs. Has to be a value as specified in enum ConcSites::CoordinateType

Returns: Pointer to the first value of the data, as indicated by the parameters

template<typename T >

void ConcatenatedSites< T >::resize	(	size_t	ljc_num,
		size_t	charges_num,
		size_t	dipoles_num,
		size_t	quadrupoles_num
	)

inline

Resize the ConcatenatedSites to have enough space for the given number of elements.

Template Parameters

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