stormm::energy::Brickwork Class Reference

This class will subdivide a series of simulatiion boxes, whose lengths are whole numbers on all sides, into a set of partitions which keep to specified limits and cover the entire space in a number of rectangular partitions as close as possible to a specified number. The partitions can be ordered by size. More...

#include <brickwork.h>

Public Member Functions
	Brickwork (const std::vector< int3 > &system_dimensions_in={}, int a_span_max_in=7, int bc_cross_section_max_in=16, int halo_under_in=1, int halo_over_in=0, int max_nonhalo_volume_in=48, int target_multiple=1, const std::vector< int > &preferred_a_lengths={}, const std::vector< int > &discouraged_a_lengths={})
	The minimum necessary information is a series of tuples indicating the dimensions of each system.
int	getSystemCount () const
	Get the number of individual systems.
int3	getBrickOrigin (int brick_index) const
	Get the origin of the volume partition, without consideration of the halo volume.
int3	getBrickOriginWithHalo (int brick_index) const
	Get the origin of the volume partition, with the halo to the left along each axis subtracted. If this runs out of the primary unit cell, the origin coordinates will be wrapped.
int3	getBrickLengths (int brick_index) const
	Get the lengths of a volume partition along all sides.
int3	getBrickLengthsWithHalo (int brick_index) const
	Get the lengths of a volume partition along all sides, with accounting for its halo.
int	getSystemMembership (int brick_index) const
	Get the system index to which a particular brick pertains.
int3	getSystemDimensions (int system_index) const
	Get the system dimensions.
void	subdivide (int target_work_unit_multiple=1, const std::vector< int > &preferred_a_lengths={}, const std::vector< int > &discouraged_a_lengths={})
	Subdivide all systems into a series of bricks. This starts by creating the fewest possible bricks and then further subdividing until the target number, or something near to a multiple thereof, is hit.
	Brickwork (const Brickwork &original)=default
	With no pointers to repair, no const members, and any array data members taken from the Standard Template Library, the default copy and move constructors, as well as copy and move assignment operators, are appropriate.
	Brickwork (Brickwork &&original)=default
Brickwork &	operator= (const Brickwork &original)=default
Brickwork &	operator= (Brickwork &&original)=default
int	getBrickCount () const
	Get the number of bricks, the number of volume partitions spanning one system or all systems.
int	getBrickCount (int system_index) const
double2	getAverageBrickLength (UnitCellAxis dim) const
	Get the average dimension of all bricks along one unit cell A axis, with its standard deviation. The results are returned in the "x" and "y" members of the tuple, respectively.
double2	getAverageBrickLength (CartesianDimension dim) const

Detailed Description

This class will subdivide a series of simulatiion boxes, whose lengths are whole numbers on all sides, into a set of partitions which keep to specified limits and cover the entire space in a number of rectangular partitions as close as possible to a specified number. The partitions can be ordered by size.

Constructor & Destructor Documentation

Brickwork() [1/2]

stormm::synthesis::Brickwork::Brickwork	(	const std::vector< int3 > &	system_dimensions_in = {},
		int	a_span_max_in = 7,
		int	bc_cross_section_max_in = 16,
		int	halo_under_in = 1,
		int	halo_over_in = 0,
		int	max_nonhalo_volume_in = 48,
		int	target_multiple = 1,
		const std::vector< int > &	preferred_a_lengths = {},
		const std::vector< int > &	discouraged_a_lengths = {} )

The minimum necessary information is a series of tuples indicating the dimensions of each system.

Parameters

target_multiple	Work to bring the number of bricks as close to a multiple of this number as possible, without going over
preferred_a_lengths	A list of preferred lengths for volume partitions along the unit cell A axis.
discouraged_a_lengths	A list of discouraged lengths for volume partitions along the unit cell A axis

Brickwork() [2/2]

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

default

With no pointers to repair, no const members, and any array data members taken from the Standard Template Library, the default copy and move constructors, as well as copy and move assignment operators, are appropriate.

Parameters

original	The original object to copy or move
other	Another object placed on the right hand side of the assignment statement

Member Function Documentation

getAverageBrickLength()

double2 stormm::synthesis::Brickwork::getAverageBrickLength

(

UnitCellAxis

dim

)

const

Get the average dimension of all bricks along one unit cell A axis, with its standard deviation. The results are returned in the "x" and "y" members of the tuple, respectively.

Overloaded:

• Provide one of the unit cell axis desginations (A, B, C)
• Provide one of the Cartesian dimensions (x ~ A, y ~ B, z ~ C)

Parameters

dim	The unit cell axis along which to take the average dimension

getBrickCount()

int stormm::synthesis::Brickwork::getBrickCount

(

)

const

Get the number of bricks, the number of volume partitions spanning one system or all systems.

Overloaded:

• Get the number of bricks in the synthesis of all systems
• Get the number of bricks in a particular system

Parameters

system_index

The system of interest

getBrickLengths()

int3 stormm::synthesis::Brickwork::getBrickLengths

(

int

brick_index

)

const

Get the lengths of a volume partition along all sides.

Parameters

brick_index

Index of the volume partition of interest

getBrickLengthsWithHalo()

int3 stormm::synthesis::Brickwork::getBrickLengthsWithHalo

(

int

brick_index

)

const

Get the lengths of a volume partition along all sides, with accounting for its halo.

Parameters

brick_index

Index of the volume partition of interest

getBrickOrigin()

int3 stormm::synthesis::Brickwork::getBrickOrigin

(

int

brick_index

)

const

Get the origin of the volume partition, without consideration of the halo volume.

Parameters

brick_index

Index of the volume partition of interest

getBrickOriginWithHalo()

int3 stormm::synthesis::Brickwork::getBrickOriginWithHalo

(

int

brick_index

)

const

Get the origin of the volume partition, with the halo to the left along each axis subtracted. If this runs out of the primary unit cell, the origin coordinates will be wrapped.

Parameters

brick_index

Index of the volume partition of interest

getSystemDimensions()

int3 stormm::synthesis::Brickwork::getSystemDimensions

(

int

system_index

)

const

Get the system dimensions.

Parameters

system_index

The system of interest

getSystemMembership()

int stormm::synthesis::Brickwork::getSystemMembership

(

int

brick_index

)

const

Get the system index to which a particular brick pertains.

Parameters

brick_index

Index of the volume partition of interest

subdivide()

void stormm::synthesis::Brickwork::subdivide	(	int	target_work_unit_multiple = 1,
		const std::vector< int > &	preferred_a_lengths = {},
		const std::vector< int > &	discouraged_a_lengths = {} )

Subdivide all systems into a series of bricks. This starts by creating the fewest possible bricks and then further subdividing until the target number, or something near to a multiple thereof, is hit.

Parameters

target_work_unit_multiple	The ideal number of work units to create
preferred_a_lengths	A list of preferred lengths for volume partitions along the unit cell A axis
discouraged_a_lengths	A list of discouraged lengths for volume partitions along the unit cell A axis

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

• src/Synthesis/brickwork.h
• src/Synthesis/brickwork.cpp