A container of complex-valued w fields. More...

#include <WFields.h>

Public Member Functions
	WFields ()
	Constructor.
	~WFields ()
	Destructor.
Initialization and Memory Management
void	setFieldIo (FIT const &fieldIo)
	Create association with FIT (store pointer).
void	setReadUnitCell (UnitCell< D > &cell)
	Set unit cell used when reading field files.
void	setWriteUnitCell (UnitCell< D > const &cell)
	Set unit cell used when writing field files.
void	allocate (int nMonomer, IntVec< D > const &dimensions)
	Allocate memory for fields.
Field and State Modifiers
void	setFields (DArray< CFT > const &fields)
	Set values for all fields.
void	readFields (std::istream &in)
	Read all fields from an input file.
void	readFields (std::string const &filename)
	Read all fields from a named file.
void	clear ()
	Clear data stored in this object without deallocating.
Signal< void > &	signal ()
	Get the signal that notifies observers of w-field modification.
Field Output to File
void	writeFields (std::ostream &out) const
	Write fields to an output stream.
void	writeFields (std::string const &filename) const
	Write fields to a named file.
Field Access (by const reference)
DArray< CFT > const &	fields () const
	Get the array of all fields.
CFT const &	field (int monomerId) const
	Get the field for one monomer type.
Boolean Queries
bool	isAllocated () const
	Has memory been allocated for fields ?
bool	hasData () const
	Has field data been set since it was last cleared?

Protected Member Functions
IntVec< D > const &	meshDimensions () const
	Get mesh dimensions in each direction, set on r-grid allocation.
int	meshSize () const
	Get mesh size (number of grid points), set on r-grid allocation.
int	nMonomer () const
	Get number of monomer types.
FIT const &	fieldIo () const
	Get associated FIT field IO object (const reference).

Detailed Description

template<int D, class CFT, class FIT>
class Pscf::Cp::WFields< D, CFT, FIT >

A container of complex-valued w fields.

Overview : A WFields container has an array of chemical fields (w fields) that are each associated with a monomer type. Fields can be modified by the setFields and readFields member functions, accessed as const references, or written to file.

Template parameters : The template parameters represent:

- D   : integer dimensionality of space, D=1,2, or 3
- CFT : field type for complex data (e.g., CField<D>)
- FIT : FieldIo type for field io operations (e.g., FieldIo<D>)

Subclasses : Partial specializations of WFields are used as base classes for classes Cpc::WFields <D > and Rpg::WFields <D>:

Subclass Cpc::WFields <D> is derived from a specialization of this template with template arguments CFT = Cpu::CField <D> and FIT = Cpc::FieldIo <D> , and is used in the pscf_cpc CPU CL-FTS program.
Subclass Rpg::WFields <D> is derived from an instantation of this template with template arguments CFT = Cuda::CField <D> and FIT = Rpg::FieldIo <D> , and is used in the pscf_cpg GPU accelerated CL-FTS program.

Signal : A WFields owns an instance of class Util::Signal<void> that notifies all observers whenever the fields owned by the WFields are modified by the set or readField function. This signal object may be accessed by reference using the signal() member function. The Util::Signal<void>::addObserver function may used to add an "observer" object and indicate a zero-parameter member function of each observer that will be called whenever the w fields are modified.

Definition at line 70 of file cp/field/WFields.h.

Constructor & Destructor Documentation

◆ WFields()

template<int D, class CFT, class FIT>

Pscf::Cp::WFields< D, CFT, FIT >::WFields ( )

Constructor.

Definition at line 30 of file cp/field/WFields.tpp.

◆ ~WFields()

template<int D, class CFT, class FIT>

Pscf::Cp::WFields< D, CFT, FIT >::~WFields ( )

Destructor.

Definition at line 47 of file cp/field/WFields.tpp.

Member Function Documentation

◆ setFieldIo()

template<int D, class CFT, class FIT>

void Pscf::Cp::WFields< D, CFT, FIT >::setFieldIo ( FIT const & fieldIo )

Create association with FIT (store pointer).

Parameters

fieldIo associated FIT object

Definition at line 54 of file cp/field/WFields.tpp.

References fieldIo().

◆ setReadUnitCell()

template<int D, class CFT, class FIT>

void Pscf::Cp::WFields< D, CFT, FIT >::setReadUnitCell ( UnitCell< D > & cell )

Set unit cell used when reading field files.

This function creates a stored pointer to a UnitCell<D> that is is used by the readFields functions, which reset the unit cell parameters in this object to those read from the field file header. This function may only be called once.

Parameters

cell	unit cell that is modified by readFields

Definition at line 61 of file cp/field/WFields.tpp.

References UTIL_CHECK.

◆ setWriteUnitCell()

template<int D, class CFT, class FIT>

void Pscf::Cp::WFields< D, CFT, FIT >::setWriteUnitCell ( UnitCell< D > const & cell )

Set unit cell used when writing field files.

This function creates a stored pointer to a UnitCell<D> that is is used by the writeFields function, which write the unit cell parameters from in this object to a field file header. This function may only be called once.

Parameters

cell	unit cell that is used by writeFields

Definition at line 71 of file cp/field/WFields.tpp.

References UTIL_CHECK.

◆ allocate()

template<int D, class CFT, class FIT>

void Pscf::Cp::WFields< D, CFT, FIT >::allocate	(	int	nMonomer,
		IntVec< D > const &	dimensions )

Allocate memory for fields.

This function may only be called once.

Parameters

nMonomer	number of monomer types
dimensions	dimensions of spatial mesh

Definition at line 81 of file cp/field/WFields.tpp.

References meshDimensions(), nMonomer(), and UTIL_CHECK.

◆ setFields()

template<int D, class CFT, class FIT>

void Pscf::Cp::WFields< D, CFT, FIT >::setFields ( DArray< CFT > const & fields )

Set values for all fields.

On return, hasData is true.

Parameters

fields array of new fields

Definition at line 113 of file cp/field/WFields.tpp.

References fields(), signal(), and UTIL_CHECK.

◆ readFields() [1/2]

template<int D, class CFT, class FIT>

void Pscf::Cp::WFields< D, CFT, FIT >::readFields ( std::istream & in )

Read all fields from an input file.

Parameters

in	input stream from which to read fields

Definition at line 135 of file cp/field/WFields.tpp.

References fieldIo(), signal(), and UTIL_CHECK.

Referenced by readFields().

◆ readFields() [2/2]

template<int D, class CFT, class FIT>

void Pscf::Cp::WFields< D, CFT, FIT >::readFields ( std::string const & filename )

Read all fields from a named file.

Parameters

filename file from which to read fields

Definition at line 153 of file cp/field/WFields.tpp.

References fieldIo(), and readFields().

◆ clear()

template<int D, class CFT, class FIT>

void Pscf::Cp::WFields< D, CFT, FIT >::clear ( )

inline

Clear data stored in this object without deallocating.

Definition at line 317 of file cp/field/WFields.h.

◆ signal()

template<int D, class CFT, class FIT>

Signal< void > & Pscf::Cp::WFields< D, CFT, FIT >::signal ( )

Get the signal that notifies observers of w-field modification.

Definition at line 200 of file cp/field/WFields.tpp.

References UTIL_CHECK.

Referenced by readFields(), and setFields().

◆ writeFields() [1/2]

template<int D, class CFT, class FIT>

void Pscf::Cp::WFields< D, CFT, FIT >::writeFields ( std::ostream & out ) const

Write fields to an output stream.

Parameters

out	output stream

Definition at line 167 of file cp/field/WFields.tpp.

References fieldIo(), and UTIL_CHECK.

Referenced by writeFields().

◆ writeFields() [2/2]

template<int D, class CFT, class FIT>

void Pscf::Cp::WFields< D, CFT, FIT >::writeFields ( std::string const & filename ) const

Write fields to a named file.

Parameters

filename name of output file

Definition at line 186 of file cp/field/WFields.tpp.

References fieldIo(), and writeFields().

◆ fields()

template<int D, class CFT, class FIT>

DArray< CFT > const & Pscf::Cp::WFields< D, CFT, FIT >::fields ( ) const

inline

Get the array of all fields.

The array capacity is equal to the number of monomer types.

Definition at line 322 of file cp/field/WFields.h.

References UTIL_ASSERT.

Referenced by setFields().

◆ field()

template<int D, class CFT, class FIT>

CFT const & Pscf::Cp::WFields< D, CFT, FIT >::field ( int monomerId ) const

inline

Get the field for one monomer type.

Parameters

monomerId integer monomer type index (0,..,nMonomer-1)

Definition at line 330 of file cp/field/WFields.h.

References UTIL_ASSERT.

◆ isAllocated()

template<int D, class CFT, class FIT>

bool Pscf::Cp::WFields< D, CFT, FIT >::isAllocated ( ) const

inline

Has memory been allocated for fields ?

Definition at line 338 of file cp/field/WFields.h.

◆ hasData()

template<int D, class CFT, class FIT>

bool Pscf::Cp::WFields< D, CFT, FIT >::hasData ( ) const

inline

Has field data been set since it was last cleared?

This flag is set true in the setFields and readFields functions, and set false in the clear function.

Definition at line 343 of file cp/field/WFields.h.

◆ meshDimensions()

template<int D, class CFT, class FIT>

IntVec< D > const & Pscf::Cp::WFields< D, CFT, FIT >::meshDimensions ( ) const

inlineprotected

Get mesh dimensions in each direction, set on r-grid allocation.

Definition at line 351 of file cp/field/WFields.h.

Referenced by allocate().

◆ meshSize()

template<int D, class CFT, class FIT>

int Pscf::Cp::WFields< D, CFT, FIT >::meshSize ( ) const

inlineprotected

Get mesh size (number of grid points), set on r-grid allocation.

Definition at line 356 of file cp/field/WFields.h.

◆ nMonomer()

template<int D, class CFT, class FIT>

int Pscf::Cp::WFields< D, CFT, FIT >::nMonomer ( ) const

inlineprotected

Get number of monomer types.

Definition at line 361 of file cp/field/WFields.h.

Referenced by allocate().

◆ fieldIo()

template<int D, class CFT, class FIT>

FIT const & Pscf::Cp::WFields< D, CFT, FIT >::fieldIo ( ) const

inlineprotected

Get associated FIT field IO object (const reference).

Definition at line 366 of file cp/field/WFields.h.

References UTIL_CHECK.

Referenced by readFields(), readFields(), setFieldIo(), writeFields(), and writeFields().

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

Public Member Functions

Protected Member Functions

Detailed Description

Constructor & Destructor Documentation

◆ WFields()

◆ ~WFields()

Member Function Documentation

◆ setFieldIo()

◆ setReadUnitCell()

◆ setWriteUnitCell()

◆ allocate()

◆ setFields()

◆ readFields() [1/2]

◆ readFields() [2/2]

◆ clear()

◆ signal()

◆ writeFields() [1/2]

◆ writeFields() [2/2]

◆ fields()

◆ field()

◆ isAllocated()

◆ hasData()

◆ meshDimensions()

◆ meshSize()

◆ nMonomer()

◆ fieldIo()