Read-only abstract for the Condensate class. In most cases, the read-only abstract will be preferred as modifications to coordinates should happen in the original synthesis object with its fixed precision arrays. More...

#include <condensate.h>

Public Member Functions

	CondensateReader (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, const float xcrd_sp, const float ycrd_sp, const float zcrd_sp, const double xcrd, const double ycrd, const double zcrd, const double umat_in, const double invu_in, const double *boxdim_in)
	The constructor takes a straight list of all relevant constants and pointers. One overloaded form accepts the corresponding writer to convert it to read-only form.

	CondensateReader (const CondensateWriter &cdw)


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

	CondensateReader (CondensateReader &&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.

const float *	xcrd_sp
	Single-precision Cartesian X coordinates.

const float *	ycrd_sp
	Single-precision Cartesian Y coordinates.

const float *	zcrd_sp
	Single-precision Cartesian Z coordinates.

const double *	xcrd
	Double-precision Cartesian X coordinates.

const double *	ycrd
	Double-precision Cartesian Y coordinates.

const double *	zcrd
	Double-precision Cartesian Z coordinates.

const double *	umat
	Box transform information for all systems.

const double *	invu
	Inverse box transform information for all systems.

const double *	boxdims
	Box dimensions for all systems.

Detailed Description

Read-only abstract for the Condensate class. In most cases, the read-only abstract will be preferred as modifications to coordinates should happen in the original synthesis object with its fixed precision arrays.

Constructor & Destructor Documentation

◆ CondensateReader()

stormm::synthesis::CondensateReader::CondensateReader ( const CondensateReader & 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:

src/Synthesis/condensate.h
src/Synthesis/condensate.cpp

Public Member Functions

Public Attributes

Detailed Description

Constructor & Destructor Documentation

◆ CondensateReader()