STORMM Source Documentation
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Collect C-style pointers and critical constants for a read-only CoordinateSeries object. More...
#include <coordinate_series.h>
Public Member Functions | |
CoordinateSeriesReader (int natom_in, int nframe_in, UnitCellType unit_cell_in, int gpos_bits_in, double gpos_scale_in, double inv_gpos_scale_in, const T *xcrd_in, const T *ycrd_in, const T *zcrd_in, const double *umat_in, const double *invu_in, const double *boxdim_in) | |
The basic constructor feeds all arguments straight to the inline initialization list. An alternative constructor takes a writeable abstract and converts it to a read-only abstract. | |
CoordinateSeriesReader (const CoordinateSeriesWriter< T > &csw) | |
CoordinateSeriesReader (const CoordinateSeriesReader &original)=default | |
Copy and move constructors. The move assignment operator is implicitly deleted. | |
CoordinateSeriesReader (CoordinateSeriesReader &&original)=default | |
CoordinateSeriesReader & | operator= (const CoordinateSeriesReader &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. | |
const T * | xcrd |
Cartesian X coordinates of all atoms. | |
const T * | ycrd |
Cartesian Y coordinates of all atoms. | |
const T * | zcrd |
Cartesian Z coordinates of all atoms. | |
const double * | umat |
const double * | invu |
Inverse transformation matrix out of box space. | |
const double * | boxdim |
Box dimensions (these will be consistent with umat and invu) | |
Collect C-style pointers and critical constants for a read-only CoordinateSeries object.
const double* stormm::trajectory::CoordinateSeriesReader< T >::umat |
Transformation matrix to take coordinates into box (fractional) space