Pscf::EnvironmentBase Class Reference

Base class mask and external field generator. More...

#include <EnvironmentBase.h>

Inheritance diagram for Pscf::EnvironmentBase:

Public Member Functions
	EnvironmentBase ()
	Constructor.
	~EnvironmentBase ()
	Destructor.
virtual void	generate ()=0
	Checks if fields need to be (re)generated.
virtual void	reset ()
	Sets needsUpdate() to true.
bool	needsUpdate () const
	Does this Environment need to be updated?
bool	generatesMask () const
	Does this Environment generate a mask?
bool	generatesExternalFields () const
	Does this Environment generate external fields?
void	setClassName (const char *className)
	Set class name string.
Public Member Functions inherited from Util::ParamComposite
	ParamComposite ()
	Constructor.
	ParamComposite (const ParamComposite &other)
	Copy constructor.
	ParamComposite (int capacity)
	Constructor.
virtual	~ParamComposite ()
	Virtual destructor.
void	resetParam ()
	Resets ParamComposite to its empty state.
virtual void	readParam (std::istream &in)
	Read the parameter file block.
virtual void	readParamOptional (std::istream &in)
	Read optional parameter file block.
virtual void	readParameters (std::istream &in)
	Read the body of parameter block, without begin and end lines.
virtual void	writeParam (std::ostream &out) const
	Write all parameters to an output stream.
virtual void	load (Serializable::IArchive &ar)
	Load all parameters from an input archive.
virtual void	loadOptional (Serializable::IArchive &ar)
	Load an optional ParamComposite.
virtual void	loadParameters (Serializable::IArchive &ar)
	Load state from archive, without adding Begin and End lines.
virtual void	save (Serializable::OArchive &ar)
	Saves all parameters to an archive.
void	saveOptional (Serializable::OArchive &ar)
	Saves isActive flag, and then calls save() iff isActive is true.
void	readParamComposite (std::istream &in, ParamComposite &child, bool next=true)
	Add and read a required child ParamComposite.
void	readParamCompositeOptional (std::istream &in, ParamComposite &child, bool next=true)
	Add and attempt to read an optional child ParamComposite.
template<typename Type>
ScalarParam< Type > &	read (std::istream &in, const char *label, Type &value)
	Add and read a new required ScalarParam < Type > object.
template<typename Type>
ScalarParam< Type > &	readOptional (std::istream &in, const char *label, Type &value)
	Add and read a new optional ScalarParam < Type > object.
template<typename Type>
CArrayParam< Type > &	readCArray (std::istream &in, const char *label, Type *value, int n)
	Add and read a required C array parameter.
template<typename Type>
CArrayParam< Type > &	readOptionalCArray (std::istream &in, const char *label, Type *value, int n)
	Add and read an optional C array parameter.
template<typename Type>
DArrayParam< Type > &	readDArray (std::istream &in, const char *label, DArray< Type > &array, int n)
	Add and read a required DArray < Type > parameter.
template<typename Type>
DArrayParam< Type > &	readOptionalDArray (std::istream &in, const char *label, DArray< Type > &array, int n)
	Add and read an optional DArray < Type > parameter.
template<typename Type, int N>
FArrayParam< Type, N > &	readFArray (std::istream &in, const char *label, FArray< Type, N > &array)
	Add and read a required FArray < Type, N > array parameter.
template<typename Type, int N>
FArrayParam< Type, N > &	readOptionalFArray (std::istream &in, const char *label, FArray< Type, N > &array)
	Add and read an optional FArray < Type, N > array parameter.
template<typename Type, int N>
FSArrayParam< Type, N > &	readFSArray (std::istream &in, const char *label, FSArray< Type, N > &array, int size)
	Add and read a required FSArray < Type, N > array parameter.
template<typename Type, int N>
FSArrayParam< Type, N > &	readOptionalFSArray (std::istream &in, const char *label, FSArray< Type, N > &array, int size)
	Add and read an optional FSArray < Type, N > array parameter.
template<typename Type>
CArray2DParam< Type > &	readCArray2D (std::istream &in, const char *label, Type *value, int m, int n, int np)
	Add and read a required CArray2DParam < Type > 2D C-array.
template<typename Type>
CArray2DParam< Type > &	readOptionalCArray2D (std::istream &in, const char *label, Type *value, int m, int n, int np)
	Add and read an optional CArray2DParam < Type > 2D C-array parameter.
template<typename Type>
DMatrixParam< Type > &	readDMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n)
	Add and read a required DMatrix < Type > matrix parameter.
template<typename Type>
DMatrixParam< Type > &	readOptionalDMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n)
	Add and read an optional DMatrix < Type > matrix parameter.
template<typename Type>
DSymmMatrixParam< Type > &	readDSymmMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int n)
	Add and read a required symmetrix DMatrix.
template<typename Type>
DSymmMatrixParam< Type > &	readOptionalDSymmMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int n)
	Add and read an optional DMatrix matrix parameter.
Begin &	readBegin (std::istream &in, const char *label, bool isRequired=true)
	Add and read a class label and opening bracket.
End &	readEnd (std::istream &in)
	Add and read the closing bracket.
Blank &	readBlank (std::istream &in)
	Add and read a new Blank object, representing a blank line.
void	loadParamComposite (Serializable::IArchive &ar, ParamComposite &child, bool next=true)
	Add and load a required child ParamComposite.
void	loadParamCompositeOptional (Serializable::IArchive &ar, ParamComposite &child, bool next=true)
	Add and load an optional child ParamComposite if isActive.
template<typename Type>
ScalarParam< Type > &	loadParameter (Serializable::IArchive &ar, const char *label, Type &value, bool isRequired)
	Add and load a new ScalarParam < Type > object.
template<typename Type>
ScalarParam< Type > &	loadParameter (Serializable::IArchive &ar, const char *label, Type &value)
	Add and load new required ScalarParam < Type > object.
template<typename Type>
CArrayParam< Type > &	loadCArray (Serializable::IArchive &ar, const char *label, Type *value, int n, bool isRequired)
	Add a C array parameter and load its elements.
template<typename Type>
CArrayParam< Type > &	loadCArray (Serializable::IArchive &ar, const char *label, Type *value, int n)
	Add and load a required CArrayParam< Type > array parameter.
template<typename Type>
DArrayParam< Type > &	loadDArray (Serializable::IArchive &ar, const char *label, DArray< Type > &array, int n, bool isRequired)
	Add an load a DArray < Type > array parameter.
template<typename Type>
DArrayParam< Type > &	loadDArray (Serializable::IArchive &ar, const char *label, DArray< Type > &array, int n)
	Add and load a required DArray< Type > array parameter.
template<typename Type, int N>
FArrayParam< Type, N > &	loadFArray (Serializable::IArchive &ar, const char *label, FArray< Type, N > &array, bool isRequired)
	Add and load an FArray < Type, N > fixed-size array parameter.
template<typename Type, int N>
FArrayParam< Type, N > &	loadFArray (Serializable::IArchive &ar, const char *label, FArray< Type, N > &array)
	Add and load a required FArray < Type > array parameter.
template<typename Type, int N>
FSArrayParam< Type, N > &	loadFSArray (Serializable::IArchive &ar, const char *label, FSArray< Type, N > &array, int size, bool isRequired)
	Add and load an FSArray < Type, N > array parameter.
template<typename Type, int N>
FSArrayParam< Type, N > &	loadFSArray (Serializable::IArchive &ar, const char *label, FSArray< Type, N > &array, int size)
	Add and load a required FSArray < Type > array parameter.
template<typename Type>
CArray2DParam< Type > &	loadCArray2D (Serializable::IArchive &ar, const char *label, Type *value, int m, int n, int np, bool isRequired)
	Add and load a CArray2DParam < Type > C 2D array parameter.
template<typename Type>
CArray2DParam< Type > &	loadCArray2D (Serializable::IArchive &ar, const char *label, Type *value, int m, int n, int np)
	Add and load a required < Type > matrix parameter.
template<typename Type>
DMatrixParam< Type > &	loadDMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int m, int n, bool isRequired)
	Add and load a DMatrixParam < Type > matrix parameter.
template<typename Type>
DMatrixParam< Type > &	loadDMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int m, int n)
	Add and load a required DMatrixParam < Type > matrix parameter.
template<typename Type>
DSymmMatrixParam< Type > &	loadDSymmMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int n, bool isRequired)
	Add and load a symmetric DSymmMatrixParam < Type > matrix parameter.
template<typename Type>
DSymmMatrixParam< Type > &	loadDSymmMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int n)
	Add and load a required DSymmMatrixParam < Type > matrix parameter.
void	addParamComposite (ParamComposite &child, bool next=true)
	Add a child ParamComposite object to the format array.
Begin &	addBegin (const char *label)
	Add a Begin object representing a class name and bracket.
End &	addEnd ()
	Add a closing bracket.
Blank &	addBlank ()
	Create and add a new Blank object, representing a blank line.
std::string	className () const
	Get class name string.
bool	isRequired () const
	Is this ParamComposite required in the input file?
bool	isActive () const
	Is this parameter active?
Public Member Functions inherited from Util::ParamComponent
virtual	~ParamComponent ()
	Destructor.
void	setIndent (const ParamComponent &parent, bool next=true)
	Set indent level.
std::string	indent () const
	Return indent string for this object (string of spaces).
template<class Archive>
void	serialize (Archive &ar, const unsigned int version)
	Serialize this ParamComponent as a string.
Public Member Functions inherited from Util::Serializable
virtual	~Serializable ()
	Destructor.
Public Member Functions inherited from Util::MpiFileIo
	MpiFileIo ()
	Constructor.
	MpiFileIo (const MpiFileIo &other)
	Copy constructor.
bool	isIoProcessor () const
	Can this processor do file I/O ?
Public Member Functions inherited from Pscf::ParameterModifier
	ParameterModifier ()
	Constructor.
	~ParameterModifier ()
	Destructor.
virtual GArray< ParameterType >	getParameterTypes ()
	Return specialized sweep parameter types to add to the Sweep object.
virtual void	setParameter (std::string name, DArray< int > ids, double value, bool &success)
	Set the value of a specialized sweep parameter.
virtual double	getParameter (std::string name, DArray< int > ids, bool &success) const
	Get the value of a specialized sweep parameter.
void	setParameter (std::string name, DArray< int > ids, double value)
	Set the value of a specialized sweep parameter.
double	getParameter (std::string name, DArray< int > ids) const
	Get the value of a specialized sweep parameter.

Protected Member Functions
void	setNeedsUpdateFalse ()
	Set needsUpdate to false.
void	setGenerateBools (bool generatesMask, bool generatesExt)
	Set generatesMask and generatesExternalFields.
void	setClassName (const char *className)
	Set class name string.
void	setIsRequired (bool isRequired)
	Set or unset the isActive flag.
void	setIsActive (bool isActive)
	Set or unset the isActive flag.
void	setParent (ParamComponent &param, bool next=true)
	Set this to the parent of a child component.
void	addComponent (ParamComponent &param, bool isLeaf=true)
	Add a new ParamComponent object to the format array.
template<typename Type>
ScalarParam< Type > &	add (std::istream &in, const char *label, Type &value, bool isRequired=true)
	Add a new required ScalarParam < Type > object.
template<typename Type>
CArrayParam< Type > &	addCArray (std::istream &in, const char *label, Type *value, int n, bool isRequired=true)
	Add (but do not read) a required C array parameter.
template<typename Type>
DArrayParam< Type > &	addDArray (std::istream &in, const char *label, DArray< Type > &array, int n, bool isRequired=true)
	Add (but do not read) a DArray < Type > parameter.
template<typename Type, int N>
FArrayParam< Type, N > &	addFArray (std::istream &in, const char *label, FArray< Type, N > &array, bool isRequired=true)
	Add (but do not read) a FArray < Type, N > array parameter.
template<typename Type, int N>
FSArrayParam< Type, N > &	addFSArray (std::istream &in, const char *label, FSArray< Type, N > &array, int size, bool isRequired=true)
	Add (but do not read) a FSArray < Type, N > array parameter.
template<typename Type>
CArray2DParam< Type > &	addCArray2D (std::istream &in, const char *label, Type *value, int m, int n, int np, bool isRequired=true)
	Add (but do not read) a CArray2DParam < Type > 2D C-array.
template<typename Type>
DMatrixParam< Type > &	addDMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n, bool isRequired=true)
	Add and read a required DMatrix < Type > matrix parameter.
Protected Member Functions inherited from Util::ParamComponent
	ParamComponent ()
	Constructor.
	ParamComponent (const ParamComponent &other)
	Copy constructor.

Additional Inherited Members
Public Types inherited from Util::Serializable
typedef BinaryFileOArchive	OArchive
	Type of output archive used by save method.
typedef BinaryFileIArchive	IArchive
	Type of input archive used by load method.
Static Public Member Functions inherited from Util::ParamComponent
static void	initStatic ()
	Initialize static echo member to false.
static void	setEcho (bool echo=true)
	Enable or disable echoing for all subclasses of ParamComponent.
static bool	echo ()
	Get echo parameter.

Detailed Description

Base class mask and external field generator.

An "environment" in PSCF is defined to be a set of user-defined, externally imposed fields that affect the resulting SCFT solution. This includes masks and external chemical potential fields. Masks define an inhomogeneous density constraint, where certain regions of the calculation box may have reduced or zero polymer density. External potential fields define inhomogeneous energetic penalties for monomer species to be located at certain positions, which are distinct from the saddle-point 'w' potential fields generated by the surrounding molecules.

Environment classes (subclasses of EnvironmentBase) are created through the inclusion of an optional, polymorphic Environment block of the parameter file. Different combinations of masks and external fields (i.e., different types of environments) will have different class names and different required parameters to define the imposed fields. If an Environment block is included in a parameter file, the Environment class will read the necessary parameters, construct imposed fields, and can subsequently update them if the system changes in a way that will affect the imposed fields.

This class is a subclass of ParameterModifier so that, if desired, subclasses may declare parameters that can be varied in a Sweep.

Subclasses must call the protected method setGenerateBools to set generatesMask and generatesExternalFields to their appropriate values before generating the fields. They must also call the protected method setNeedsUpdateFalse at the end of their generate method.

Definition at line 53 of file EnvironmentBase.h.

Constructor & Destructor Documentation

EnvironmentBase()

Pscf::EnvironmentBase::EnvironmentBase ( )

inline

Constructor.

Definition at line 159 of file EnvironmentBase.h.

References setClassName().

~EnvironmentBase()

Pscf::EnvironmentBase::~EnvironmentBase ( )

inline

Destructor.

Definition at line 167 of file EnvironmentBase.h.

Member Function Documentation

generate()

virtual void Pscf::EnvironmentBase::generate ( )

pure virtual

Checks if fields need to be (re)generated.

If so, generates them.

Upon completion, needsUpdate() is set to false, and will remain false until the reset() method is called. If needsUpdate() is already false when generate() is called, it will do nothing and return immediately.

If the fields have already been generated, this method may or may not need to regenerate some or all of them, depending on which system properties have changed since the fields were last generated. Subclass implementations of generate() should check relevant system properties and only regenerate fields if necessary.

References generatesMask(), and Util::ParamComposite::setClassName().

reset()

void Pscf::EnvironmentBase::reset ( )

inlinevirtual

Sets needsUpdate() to true.

Whenever system properties that may affect the Environment are changed, reset() should be called. Such properties include lattice parameters and any input parameters in the Environment block of the parameter file.

Methods that use the Environment for calculations should first check if needsUpdate() is true, and if so, call generate(). Or, if a method expects that the Environment should always be up to date when it is called, it can simply check that needsUpdate() is false.

This method is virtual so that subclasses can, if needed, update additional internal variables whenever reset() is called.

Reimplemented in Pscf::Prdc::Environment.

Definition at line 171 of file EnvironmentBase.h.

Referenced by Pscf::Prdc::Environment::reset().

needsUpdate()

bool Pscf::EnvironmentBase::needsUpdate ( ) const

inline

Does this Environment need to be updated?

Definition at line 175 of file EnvironmentBase.h.

Referenced by Pscf::Prdc::Environment::computeStress(), and Pscf::Prdc::MixAndMatchEnv::modifyStress().

generatesMask()

bool Pscf::EnvironmentBase::generatesMask ( ) const

inline

Does this Environment generate a mask?

Definition at line 179 of file EnvironmentBase.h.

Referenced by generate(), and setGenerateBools().

generatesExternalFields()

bool Pscf::EnvironmentBase::generatesExternalFields ( ) const

inline

Does this Environment generate external fields?

Definition at line 183 of file EnvironmentBase.h.

setNeedsUpdateFalse()

void Pscf::EnvironmentBase::setNeedsUpdateFalse ( )

inlineprotected

Set needsUpdate to false.

Should be called by subclasses at the end of their generate() method.

Definition at line 187 of file EnvironmentBase.h.

References UTIL_THROW.

setGenerateBools()

void Pscf::EnvironmentBase::setGenerateBools ( bool generatesMask, bool generatesExt )

inlineprotected

Set generatesMask and generatesExternalFields.

Should be called by subclasses before fields are generated. Should only be called once.

Parameters

generatesMask	Does this Environment generate a mask?
generatesExt	Does this Environment generate external fields?

Definition at line 196 of file EnvironmentBase.h.

References generatesMask(), and UTIL_CHECK.

setClassName()

void Util::ParamComposite::setClassName

(

const char *

className

)

Set class name string.

Should be set in subclass constructor.

Definition at line 900 of file ParamComposite.cpp.

Referenced by Pscf::Prdc::Environment::Environment(), and EnvironmentBase().

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

• EnvironmentBase.h