A container of complex-valued concentration fields (c fields). More...

#include <CFields.h>

Public Member Functions
	CFields ()
	Constructor.
	~CFields ()
	Destructor.
Initialization and Memory Management
void	setFieldIo (FIT const &fieldIo)
	Create association with FIT (store pointer).
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 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 reference)
DArray< CFT > &	fields ()
	Get the array of all fields (non-const reference).
DArray< CFT > const &	fields () const
	Get the array of all fields (const reference).
CFT &	field (int monomerId)
	Get the field for one monomer type (non-const reference).
CFT const &	field (int monomerId) const
	Get the field for one monomer type (const reference).
Boolean Flags
bool	isAllocated () const
	Has memory been allocated for fields ?
bool	hasData () const
	Does this container have up-to-date field data ?
void	setHasData (bool hasData)
	Set the hasData boolean flag.

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::CFields< D, CFT, FIT >

A container of complex-valued concentration fields (c fields).

Overview : A CFields container has an array of nMonomer chemical fields (c fields) that are each associated with a monomer type. Fields can be accessed as const or non const references, or written to file.

Template parameters : The template parameters represent:

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

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

Subclass Cpc::CFields <D> is derived from a partial specialization of CFields with template parameters CFT = Cpu::CFT <D> and FIT = Cpc::FIT <D> , and is used in the pscf_cpc CPU program.
Subclass Rpg::CFields <D> is derived from a partial specialization of CFields with template parameters CFT = Cuda::CFT <D> and FIT = Rpg::FIT <D> , and is used in the pscf_cpg GPU accelerated program.

Definition at line 57 of file cp/field/CFields.h.

Constructor & Destructor Documentation

◆ CFields()

template<int D, class CFT, class FIT>

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

Constructor.

Definition at line 29 of file cp/field/CFields.tpp.

◆ ~CFields()

template<int D, class CFT, class FIT>

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

Destructor.

Definition at line 44 of file cp/field/CFields.tpp.

Member Function Documentation

◆ setFieldIo()

template<int D, class CFT, class FIT>

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

Create association with FIT (store pointer).

Parameters

fieldIo associated FIT object

Definition at line 51 of file cp/field/CFields.tpp.

References fieldIo().

◆ setWriteUnitCell()

template<int D, class CFT, class FIT>

void Pscf::Cp::CFields< 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 58 of file cp/field/CFields.tpp.

References UTIL_CHECK.

◆ allocate()

template<int D, class CFT, class FIT>

void Pscf::Cp::CFields< 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 68 of file cp/field/CFields.tpp.

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

◆ writeFields() [1/2]

template<int D, class CFT, class FIT>

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

Write fields to an output stream.

Parameters

out	output stream

Definition at line 100 of file cp/field/CFields.tpp.

References fieldIo(), and UTIL_CHECK.

Referenced by writeFields().

◆ writeFields() [2/2]

template<int D, class CFT, class FIT>

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

Write fields to a named file.

Parameters

filename name of output file

Definition at line 119 of file cp/field/CFields.tpp.

References fieldIo(), and writeFields().

◆ fields() [1/2]

template<int D, class CFT, class FIT>

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

inline

Get the array of all fields (non-const reference).

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

Definition at line 263 of file cp/field/CFields.h.

References UTIL_ASSERT.

◆ fields() [2/2]

template<int D, class CFT, class FIT>

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

inline

Get the array of all fields (const reference).

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

Definition at line 255 of file cp/field/CFields.h.

References UTIL_ASSERT.

◆ field() [1/2]

template<int D, class CFT, class FIT>

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

inline

Get the field for one monomer type (non-const reference).

Parameters

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

Definition at line 279 of file cp/field/CFields.h.

References UTIL_ASSERT.

◆ field() [2/2]

template<int D, class CFT, class FIT>

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

inline

Get the field for one monomer type (const reference).

Parameters

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

Definition at line 271 of file cp/field/CFields.h.

References UTIL_ASSERT.

◆ isAllocated()

template<int D, class CFT, class FIT>

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

inline

Has memory been allocated for fields ?

Definition at line 287 of file cp/field/CFields.h.

◆ hasData()

template<int D, class CFT, class FIT>

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

inline

Does this container have up-to-date field data ?

Definition at line 292 of file cp/field/CFields.h.

Referenced by setHasData().

◆ setHasData()

template<int D, class CFT, class FIT>

void Pscf::Cp::CFields< D, CFT, FIT >::setHasData ( bool hasData )

Set the hasData boolean flag.

This should be set true when fields are set to those computed from the current w fields, and set false when any input to that computation changes.

Definition at line 133 of file cp/field/CFields.tpp.

References hasData().

◆ meshDimensions()

template<int D, class CFT, class FIT>

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

inlineprotected

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

Definition at line 300 of file cp/field/CFields.h.

Referenced by allocate().

◆ meshSize()

template<int D, class CFT, class FIT>

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

inlineprotected

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

Definition at line 305 of file cp/field/CFields.h.

◆ nMonomer()

template<int D, class CFT, class FIT>

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

inlineprotected

Get number of monomer types.

Definition at line 310 of file cp/field/CFields.h.

Referenced by allocate().

◆ fieldIo()

template<int D, class CFT, class FIT>

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

inlineprotected

Get associated FIT field IO object (const reference).

Definition at line 315 of file cp/field/CFields.h.

References UTIL_CHECK.

Referenced by 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

◆ CFields()

◆ ~CFields()

Member Function Documentation

◆ setFieldIo()

◆ setWriteUnitCell()

◆ allocate()

◆ writeFields() [1/2]

◆ writeFields() [2/2]

◆ fields() [1/2]

◆ fields() [2/2]

◆ field() [1/2]

◆ field() [2/2]

◆ isAllocated()

◆ hasData()

◆ setHasData()

◆ meshDimensions()

◆ meshSize()

◆ nMonomer()

◆ fieldIo()