Writeable abstract for the Condensate class, wherein coordinates (only) can be modified as a consequence of certain analyses. More...

#include <condensate.h>

Public Member Functions
	CondensateWriter (PrecisionModel mode_in, StructureSource basis_in, int system_count_in, UnitCellType unit_cell_in, const size_t atom_starts_in, const int atom_counts_in, float xcrd_sp, float ycrd_sp, float zcrd_sp, double xcrd, double ycrd, double zcrd, double umat_in, double invu_in, double *boxdim_in)
	The constructor takes a straight list of all relevant constants and pointers.


	CondensateWriter (const CondensateWriter &original)=default
	The usual copy and move constructors aply for an abstract, with copy and move assignment operators being implicitly deleted.

	CondensateWriter (CondensateWriter &&original)=default

Public Attributes
const PrecisionModel	mode
	The compression mode.

const StructureSource	basis
	The original material on which the original object is based.

const int	system_count
	The number of systems held by the underlying Condensate.

const UnitCellType	unit_cell
	The type of unit cell, common to all systems.

const size_t *	atom_starts
	Starting indices of each system's atoms in the data arrays.

const int *	atom_counts
	Number of atoms in each system.

float *	xcrd_sp
	Single-precision Cartesian X coordinates.

float *	ycrd_sp
	Single-precision Cartesian Y coordinates.

float *	zcrd_sp
	Single-precision Cartesian Z coordinates.

double *	xcrd
	Double-precision Cartesian X coordinates.

double *	ycrd
	Double-precision Cartesian Y coordinates.

double *	zcrd
	Double-precision Cartesian Z coordinates.

double *	umat
	Box transform information for all systems.

double *	invu
	Inverse box transform information for all systems.

double *	boxdims
	Box dimensions for all systems.

Detailed Description

Writeable abstract for the Condensate class, wherein coordinates (only) can be modified as a consequence of certain analyses.

Constructor & Destructor Documentation

stormm::synthesis::CondensateWriter::CondensateWriter ( const CondensateWriter & original )

default

The usual copy and move constructors aply for an abstract, with copy and move assignment operators being implicitly deleted.

Parameters

original The original abstract to copy or move

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