#include <GridCoordinatesObject.h>

Public Member Functions
void	convertIndexToIndices (const unsigned &index, const std::vector< unsigned > &nnbin, std::vector< unsigned > &indices) const
	Convert an index into indices. More...

double	getCellVolume () const
	Return the volume of one of the grid cells. More...

unsigned	getDimension () const
	Get the dimensionality of the function. More...

void	getGridPointCoordinates (const unsigned &, std::vector< double > &) const
	Get the coordinates for a point in the grid. More...

void	getGridPointCoordinates (const unsigned &, std::vector< unsigned > &, std::vector< double > &) const

const std::vector< double > &	getGridSpacing () const
	Get the spacing between grid points. More...

std::string	getGridType () const
	Get the type of the grid. More...

unsigned	getIndex (const std::vector< double > &p) const
	Convert a point in space the the correspoinding grid point. More...

unsigned	getIndex (const std::vector< unsigned > &indices) const
	Flatten the grid and get the grid index for a point. More...

void	getIndices (const std::vector< double > &point, std::vector< unsigned > &indices) const
	Get the indices of a particular point. More...

void	getIndices (const unsigned &index, std::vector< unsigned > &indices) const
	Get the indices fof a point. More...

std::vector< std::string >	getMax () const
	Get the vector containing the maximum value of the grid in each dimension. More...

std::vector< std::string >	getMin () const
	Get the vector containing the minimum value of the grid in each dimension. More...

std::vector< unsigned >	getNbin (const bool &shape) const
	Get the number of grid points for each dimension. More...

void	getNeighbors (const std::vector< double > &pp, const std::vector< unsigned > &nneigh, unsigned &num_neighbours, std::vector< unsigned > &neighbors) const
	Get the set of points neighouring a particular location in space. More...

void	getNeighbors (const std::vector< unsigned > &indices, const std::vector< unsigned > &nneigh, unsigned &num_neighbors, std::vector< unsigned > &neighbors) const
	Get the neighbors for a set of indices of a point. More...

unsigned	getNumberOfPoints () const
	Get the number of points in the grid. More...

void	getSplineNeighbors (const unsigned &mybox, unsigned &nneighbors, std::vector< unsigned > &mysneigh) const
	Get the points neighboring a particular spline point. More...

const std::vector< unsigned > &	getStride () const
	Get the stride (the distance between the grid points of an index) More...

bool	inbounds (const std::vector< double > &point) const
	Check if a point is within the grid boundaries. More...

bool	isPeriodic (const unsigned &i) const
	Is the grid periodic in the ith direction. More...

void	putCoordinateAtValue (const unsigned &, const double &, std::vector< double > &) const
	Create a coordinate that has this value of the grid. More...

void	setBounds (const std::vector< std::string > &smin, const std::vector< std::string > &smax, const std::vector< unsigned > &nbins, std::vector< double > &spacing)
	Set the minimum and maximum of the grid. More...

void	setup (const std::string &geom, const std::vector< bool > &ipbc, const unsigned &np, const double &fib_cutoff)
	Setup the grid. More...

Private Types
enum	{ flat, fibonacci }
	The way that grid points are constructed. More...

Private Member Functions
void	getFibonacciCoordinates (const unsigned &ipoint, std::vector< double > &x) const
	Get the coordinates on the Fibonacci grid. More...

unsigned	getFibonacciIndex (const std::vector< double > &p) const
	Get the index of the closest point on the fibonacci sphere. More...

void	getFlatGridCoordinates (const unsigned &ipoint, std::vector< unsigned > &tindices, std::vector< double > &x) const
	Get the flat grid coordinates. More...

Private Attributes
bool	bounds_set
	Have the bounds been setup on the grid. More...

unsigned	dimension
	The dimensionality of the grid. More...

std::vector< double >	dx
	The spacing between grid points. More...

double	fib_increment

std::vector< std::vector< unsigned > >	fib_nlist

double	fib_offset
	Fib increment here is equal to 2pi(INVERSE GOLDEN RATIO) More...

double	fib_shift

double	golden

enum PLMD::gridtools::GridCoordinatesObject:: { ... }	gtype
	The way that grid points are constructed. More...

double	igolden

double	log_golden2

std::vector< double >	max

std::vector< double >	min
	The minimum and maximum of the grid stored as doubles. More...

std::vector< unsigned >	nbin
	The number of bins in each grid direction. More...

unsigned	npoints
	The number of points in the grid. More...

std::vector< bool >	pbc
	Is this direction periodic. More...

double	root5
	Stuff for fibonacci grids. More...

std::vector< std::string >	str_max

std::vector< std::string >	str_min
	The minimum and maximum in the grid stored as strings. More...

std::vector< unsigned >	stride
	The numerical distance between adjacent grid points. More...

Member Enumeration Documentation

◆ anonymous enum

anonymous enum

private

The way that grid points are constructed.

Enumerator
flat
fibonacci

Member Function Documentation

◆ convertIndexToIndices()

void PLMD::gridtools::GridCoordinatesObject::convertIndexToIndices	(	const unsigned &	index,
		const std::vector< unsigned > &	nnbin,
		std::vector< unsigned > &	indices
	)		const

Convert an index into indices.

◆ getCellVolume()

double PLMD::gridtools::GridCoordinatesObject::getCellVolume ( ) const

inline

Return the volume of one of the grid cells.

◆ getDimension()

unsigned PLMD::gridtools::GridCoordinatesObject::getDimension ( ) const

inline

Get the dimensionality of the function.

◆ getFibonacciCoordinates()

void PLMD::gridtools::GridCoordinatesObject::getFibonacciCoordinates	(	const unsigned &	ipoint,
		std::vector< double > &	x
	)		const

private

Get the coordinates on the Fibonacci grid.

◆ getFibonacciIndex()

unsigned PLMD::gridtools::GridCoordinatesObject::getFibonacciIndex ( const std::vector< double > & p ) const

private

Get the index of the closest point on the fibonacci sphere.

◆ getFlatGridCoordinates()

void PLMD::gridtools::GridCoordinatesObject::getFlatGridCoordinates	(	const unsigned &	ipoint,
		std::vector< unsigned > &	tindices,
		std::vector< double > &	x
	)		const

private

Get the flat grid coordinates.

◆ getGridPointCoordinates() [1/2]

void PLMD::gridtools::GridCoordinatesObject::getGridPointCoordinates	(	const unsigned &	ipoint,
		std::vector< double > &	x
	)		const

Get the coordinates for a point in the grid.

◆ getGridPointCoordinates() [2/2]

void PLMD::gridtools::GridCoordinatesObject::getGridPointCoordinates	(	const unsigned &	ipoint,
		std::vector< unsigned > &	tindices,
		std::vector< double > &	x
	)		const

◆ getGridSpacing()

const std::vector< double > & PLMD::gridtools::GridCoordinatesObject::getGridSpacing ( ) const

inline

Get the spacing between grid points.

◆ getGridType()

std::string PLMD::gridtools::GridCoordinatesObject::getGridType ( ) const

inline

Get the type of the grid.

◆ getIndex() [1/2]

unsigned PLMD::gridtools::GridCoordinatesObject::getIndex ( const std::vector< double > & p ) const

Convert a point in space the the correspoinding grid point.

◆ getIndex() [2/2]

unsigned PLMD::gridtools::GridCoordinatesObject::getIndex ( const std::vector< unsigned > & indices ) const

Flatten the grid and get the grid index for a point.

◆ getIndices() [1/2]

void PLMD::gridtools::GridCoordinatesObject::getIndices	(	const std::vector< double > &	point,
		std::vector< unsigned > &	indices
	)		const

Get the indices of a particular point.

◆ getIndices() [2/2]

void PLMD::gridtools::GridCoordinatesObject::getIndices	(	const unsigned &	index,
		std::vector< unsigned > &	indices
	)		const

Get the indices fof a point.

◆ getMax()

std::vector< std::string > PLMD::gridtools::GridCoordinatesObject::getMax ( ) const

Get the vector containing the maximum value of the grid in each dimension.

◆ getMin()

std::vector< std::string > PLMD::gridtools::GridCoordinatesObject::getMin ( ) const

Get the vector containing the minimum value of the grid in each dimension.

◆ getNbin()

std::vector< unsigned > PLMD::gridtools::GridCoordinatesObject::getNbin ( const bool & shape ) const

Get the number of grid points for each dimension.

◆ getNeighbors() [1/2]

void PLMD::gridtools::GridCoordinatesObject::getNeighbors	(	const std::vector< double > &	pp,
		const std::vector< unsigned > &	nneigh,
		unsigned &	num_neighbours,
		std::vector< unsigned > &	neighbors
	)		const

Get the set of points neighouring a particular location in space.

◆ getNeighbors() [2/2]

void PLMD::gridtools::GridCoordinatesObject::getNeighbors	(	const std::vector< unsigned > &	indices,
		const std::vector< unsigned > &	nneigh,
		unsigned &	num_neighbors,
		std::vector< unsigned > &	neighbors
	)		const

Get the neighbors for a set of indices of a point.

◆ getNumberOfPoints()

unsigned PLMD::gridtools::GridCoordinatesObject::getNumberOfPoints ( ) const

inline

Get the number of points in the grid.

◆ getSplineNeighbors()

void PLMD::gridtools::GridCoordinatesObject::getSplineNeighbors	(	const unsigned &	mybox,
		unsigned &	nneighbors,
		std::vector< unsigned > &	mysneigh
	)		const

Get the points neighboring a particular spline point.

◆ getStride()

const std::vector< unsigned > & PLMD::gridtools::GridCoordinatesObject::getStride ( ) const

inline

Get the stride (the distance between the grid points of an index)

◆ inbounds()

bool PLMD::gridtools::GridCoordinatesObject::inbounds ( const std::vector< double > & point ) const

Check if a point is within the grid boundaries.

◆ isPeriodic()

bool PLMD::gridtools::GridCoordinatesObject::isPeriodic ( const unsigned & i ) const

inline

Is the grid periodic in the ith direction.

◆ putCoordinateAtValue()

void PLMD::gridtools::GridCoordinatesObject::putCoordinateAtValue	(	const unsigned &	ind,
		const double &	val,
		std::vector< double > &	coords
	)		const

Create a coordinate that has this value of the grid.

◆ setBounds()

void PLMD::gridtools::GridCoordinatesObject::setBounds	(	const std::vector< std::string > &	smin,
		const std::vector< std::string > &	smax,
		const std::vector< unsigned > &	nbins,
		std::vector< double > &	spacing
	)

Set the minimum and maximum of the grid.

◆ setup()

void PLMD::gridtools::GridCoordinatesObject::setup	(	const std::string &	geom,
		const std::vector< bool > &	ipbc,
		const unsigned &	np,
		const double &	fib_cutoff
	)

Setup the grid.

Member Data Documentation

◆ bounds_set

bool PLMD::gridtools::GridCoordinatesObject::bounds_set

private

Have the bounds been setup on the grid.

◆ dimension

unsigned PLMD::gridtools::GridCoordinatesObject::dimension

private

The dimensionality of the grid.

◆ dx

std::vector<double> PLMD::gridtools::GridCoordinatesObject::dx

private

The spacing between grid points.

◆ fib_increment

double PLMD::gridtools::GridCoordinatesObject::fib_increment

private

◆ fib_nlist

std::vector<std::vector<unsigned> > PLMD::gridtools::GridCoordinatesObject::fib_nlist

private

◆ fib_offset

double PLMD::gridtools::GridCoordinatesObject::fib_offset

private

Fib increment here is equal to 2*pi*(INVERSE GOLDEN RATIO)

◆ fib_shift

double PLMD::gridtools::GridCoordinatesObject::fib_shift

private

◆ golden

double PLMD::gridtools::GridCoordinatesObject::golden

private

◆ gtype

enum { ... } PLMD::gridtools::GridCoordinatesObject::gtype

The way that grid points are constructed.

◆ igolden

double PLMD::gridtools::GridCoordinatesObject::igolden

private

◆ log_golden2

double PLMD::gridtools::GridCoordinatesObject::log_golden2

private

◆ max

std::vector<double> PLMD::gridtools::GridCoordinatesObject::max

private

◆ min

std::vector<double> PLMD::gridtools::GridCoordinatesObject::min

private

The minimum and maximum of the grid stored as doubles.

◆ nbin

std::vector<unsigned> PLMD::gridtools::GridCoordinatesObject::nbin

private

The number of bins in each grid direction.

◆ npoints

unsigned PLMD::gridtools::GridCoordinatesObject::npoints

private

The number of points in the grid.

◆ pbc

std::vector<bool> PLMD::gridtools::GridCoordinatesObject::pbc

private

Is this direction periodic.

◆ root5

double PLMD::gridtools::GridCoordinatesObject::root5

private

Stuff for fibonacci grids.

◆ str_max

std::vector<std::string> PLMD::gridtools::GridCoordinatesObject::str_max

private

◆ str_min

std::vector<std::string> PLMD::gridtools::GridCoordinatesObject::str_min

private

The minimum and maximum in the grid stored as strings.

◆ stride

std::vector<unsigned> PLMD::gridtools::GridCoordinatesObject::stride

private

The numerical distance between adjacent grid points.

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

gridtools/GridCoordinatesObject.h
gridtools/GridCoordinatesObject.cpp

Public Member Functions

Private Types

Private Member Functions

Private Attributes

Member Enumeration Documentation

◆ anonymous enum

Member Function Documentation

◆ convertIndexToIndices()

◆ getCellVolume()

◆ getDimension()

◆ getFibonacciCoordinates()

◆ getFibonacciIndex()

◆ getFlatGridCoordinates()

◆ getGridPointCoordinates() [1/2]

◆ getGridPointCoordinates() [2/2]

◆ getGridSpacing()

◆ getGridType()

◆ getIndex() [1/2]

◆ getIndex() [2/2]

◆ getIndices() [1/2]

◆ getIndices() [2/2]

◆ getMax()

◆ getMin()

◆ getNbin()

◆ getNeighbors() [1/2]

◆ getNeighbors() [2/2]

◆ getNumberOfPoints()

◆ getSplineNeighbors()

◆ getStride()

◆ inbounds()

◆ isPeriodic()

◆ putCoordinateAtValue()

◆ setBounds()

◆ setup()

Member Data Documentation

◆ bounds_set

◆ dimension

◆ dx

◆ fib_increment

◆ fib_nlist

◆ fib_offset

◆ fib_shift

◆ golden

◆ gtype

◆ igolden

◆ log_golden2

◆ max

◆ min

◆ nbin

◆ npoints

◆ pbc

◆ root5

◆ str_max

◆ str_min

◆ stride