#include <Field.hpp>

Collaboration diagram for GQCP::Field< T_ >:

Public Types
using	T = T_

Public Member Functions
	Field (const std::vector< T > &values)

Field< T > &	operator+= (const Field< T > &rhs)

Field< T >	operator- () const

Field< T > &	operator-= (const Field< T > &rhs)

size_t	size () const

void	map (const std::function< T(const T &)> &function)

Field< T >	mapped (const std::function< T(const T &)> &function) const

const T &	value (const size_t index) const

T &	value (const size_t index)

const std::vector< T > &	values () const

Static Public Member Functions
template<typename Z = T>
static enable_if_t< std::is_same< Z, double >::value, Field< double > >	ReadCubeFile (const std::string &filename)

template<int N>
static Field< Vector< double, N > >	ReadGridFile (const std::string &filename)

Friends
Field< T >	operator+ (Field< T > lhs, const Field< T > &rhs)

Field< T >	operator- (Field< T > lhs, const Field< T > &rhs)

Detailed Description

template<typename T_>
class GQCP::Field< T_ >

A set of function values corresponding to points in space.

Template Parameters

T_	The type of the evaluated function values.

Member Typedef Documentation

◆ T

template<typename T_ >

using GQCP::Field< T_ >::T = T_

Constructor & Destructor Documentation

◆ Field()

template<typename T_ >

GQCP::Field< T_ >::Field ( const std::vector< T > & values )

inline

The memberwise constructor.

Parameters

values The evaluated function values, in the order of the grid's loop.

Member Function Documentation

◆ map()

template<typename T_ >

void GQCP::Field< T_ >::map ( const std::function< T(const T &)> & function )

inline

Apply a given function on each of this field's values, in-place.

Parameters

function The function to be used on each of the values.

◆ mapped()

template<typename T_ >

Field< T > GQCP::Field< T_ >::mapped ( const std::function< T(const T &)> & function ) const

inline

Apply a given function on each of this field's values.

Parameters

function The function to be used on each of the values.

Returns: A field with the mapped values.

◆ operator+=()

template<typename T_ >

Field< T > & GQCP::Field< T_ >::operator+= ( const Field< T > & rhs )

inline

Add a field to this one by a point-wise addition.

Parameters

rhs	The right-hand side of the addition.

Returns: A reference to the modified this.

Note: The fields are supposed to be defined on the same grid.

◆ operator-()

template<typename T_ >

Field< T > GQCP::Field< T_ >::operator- ( ) const

inline

Negate the values of this field.

Returns: A negated version of this field.

◆ operator-=()

template<typename T_ >

Field< T > & GQCP::Field< T_ >::operator-= ( const Field< T > & rhs )

inline

Subtract another field from this field by point-wise subtraction.

Parameters

rhs	The right-hand side of the subtraction.

Returns: A reference to the modified this.

Note: The fields are supposed to be defined on the same grid.

◆ ReadCubeFile()

template<typename T_ >

template<typename Z = T>

static enable_if_t< std::is_same< Z, double >::value, Field< double > > GQCP::Field< T_ >::ReadCubeFile ( const std::string & filename )

inlinestatic

Parse a GAUSSIAN Cube file (http://paulbourke.net/dataformats/cube/) for scalar field values. The grid-associated information is discarded.

Parameters

filename The name of the cubefile.

Note: This named constructor is only enabled for Field<double>.

◆ ReadGridFile()

template<typename T_ >

template<int N>

static Field< Vector< double, N > > GQCP::Field< T_ >::ReadGridFile ( const std::string & filename )

inlinestatic

Parse an .igrid- or .rgrid-file and create the field that is contained in it. The values for the grid are discarded.

Parameters

filename The name of the .igrid-file.

Note

An integration grid (.igrid) file is a headerless file and contains the following data:

Each row relates to one grid point.
Column specification:
- Column 1: The index from 1 to the number of grid points
- Columns 2-4: The position of the grid point: x, y, and z
- Optional: Column 5 or columns 5-7: 1 value for a scalar field, 3 values for a vector field
- Column 5, 6 or 8: The integration weight associated to the grid point

A regular grid (.rgrid) file is a headerless file and contains the following data:

Each row relates to one grid point, where the fastest changing values are z > y > x.
Column specification:
- Column 1: The index from 1 to the number of grid points
- Columns 2-4: The position of the grid point: x, y, and z
- Optional: Column 5 or columns 5-7: 1 value for a scalar field, 3 values for a vector field

◆ size()

template<typename T_ >

size_t GQCP::Field< T_ >::size ( ) const

inline

Returns: The size of this field, i.e. the number of field values.

◆ value() [1/2]

template<typename T_ >

T & GQCP::Field< T_ >::value ( const size_t index )

inline

Access one of the field's values.

Parameters

index The index of the function value.

Returns: A writable field value, corresponding to the given index.

◆ value() [2/2]

template<typename T_ >

const T & GQCP::Field< T_ >::value ( const size_t index ) const

inline

Access one of the field's values.

Parameters

index The index of the function value.

Returns: A read-only field value, corresponding to the given index.

◆ values()

template<typename T_ >

const std::vector< T > & GQCP::Field< T_ >::values ( ) const

inline

Returns: The evaluated function values, in the order of the grid's loop.

Friends And Related Function Documentation

◆ operator+

template<typename T_ >

Field< T > operator+	(	Field< T >	lhs,
		const Field< T > &	rhs
	)

friend

Add two fields by a point-wise addition.

Parameters

lhs	The left-hand side of the addition.
rhs	The right-hand side of the addition.

Returns: The sum of the two fields.

Note: The fields are supposed to be defined on the same grid.

◆ operator-

template<typename T_ >

Field< T > operator-	(	Field< T >	lhs,
		const Field< T > &	rhs
	)

friend

Subtract one field from another by point-wise subtraction.

Parameters

lhs	The left-hand side of the subtraction.
rhs	The right-hand side of the subtraction.

Returns: The difference of the two fields.

Note: The fields are supposed to be defined on the same grid.

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

/__w/GQCP/GQCP/gqcp/include/Mathematical/Grid/Field.hpp

Public Types

Public Member Functions

Static Public Member Functions

Friends

Detailed Description

Member Typedef Documentation

◆ T

Constructor & Destructor Documentation

◆ Field()

Member Function Documentation

◆ map()

◆ mapped()

◆ operator+=()

◆ operator-()

◆ operator-=()

◆ ReadCubeFile()

◆ ReadGridFile()

◆ size()

◆ value() [1/2]

◆ value() [2/2]

◆ values()

Friends And Related Function Documentation

◆ operator+

◆ operator-