Collect C-style pointers and critical constants for a writeable CoordinateSeries object. More...

Public Member Functions
	CoordinateSeriesWriter (int natom_in, int nframe_in, UnitCellType unit_cell_in, int gpos_bits_in, double gpos_scale_in, double inv_gpos_scale_in, T xcrd_in, T ycrd_in, T zcrd_in, double umat_in, double invu_in, double boxdim_in)
	The constructor feeds all arguments straight to the inline initialization list.


	CoordinateSeriesWriter (const CoordinateSeriesWriter &original)=default
	Copy and move constructors. The move assignment operator is implicitly deleted.

	CoordinateSeriesWriter (CoordinateSeriesWriter &&original)=default

CoordinateSeriesWriter &	operator= (const CoordinateSeriesWriter &other)=default

Public Attributes
const int	natom
	The number of atoms in the system.

const int	nframe
	The number of frames in the series.

const UnitCellType	unit_cell
	The type of unit cell (i.e. ORTHORHOMBIC, could also be NONE)

const int	gpos_bits
	Global position coordinate bits after the decimal.

const double	gpos_scale
	Global position coordinate scaling factor.

const double	inv_gpos_scale
	Inverse global coordinate scaling factor.

T *	xcrd
	Cartesian X coordinates of all atoms.

T *	ycrd
	Cartesian Y coordinates of all atoms.

T *	zcrd
	Cartesian Z coordinates of all atoms.

double *	umat

double *	invu
	Inverse transformation matrix out of box space.

double *	boxdim
	Box dimensions (these will be consistent with umat and invu)

Detailed Description

template<typename T>
struct stormm::structure::CoordinateSeriesWriter< T >

Collect C-style pointers and critical constants for a writeable CoordinateSeries object.

Member Data Documentation

template<typename T>

Transformation matrix to take coordinates into box (fractional) space

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