Descriptor for a linear or acyclic branched block polymer. More...

#include <PolymerSpecies.h>

Inheritance diagram for Pscf::PolymerSpecies< WT >:

Public Member Functions
	PolymerSpecies ()
	Constructor.
virtual	~PolymerSpecies ()=default
	Destructor.
virtual void	readParameters (std::istream &in)
	Read parameters and initialize.
Accessors (return objects by reference)
virtual Edge &	edge (int id)=0
	Get a specified Edge (block descriptor) by non-const reference.
virtual Edge const &	edge (int id) const =0
	Get a specified Edge (block descriptor) by const reference.
const Vertex &	vertex (int id) const
	Get a specified Vertex by const reference.
Accessors (by value)
int	nBlock () const
	Number of blocks.
int	nVertex () const
	Number of vertices (junctions and chain ends).
int	nPropagator () const
	Number of propagators (2*nBlock).
double	length () const
	Sum of the lengths of all blocks in the polymer (thread model).
int	nBead () const
	Total number of beads in the polymer (bead model).
PolymerType::Enum	type () const
	Get Polymer type (Branched or Linear)
Directed Edges and Connectivity
Pair< int > const &	propagatorId (int id) const
	Get a propagator identifier, indexed by order of computation.
Pair< int > const &	path (int is, int it) const
	Get an id for a propagator from one vertex towards a target.
Public Member Functions inherited from Pscf::Species< double >
	Species ()
	Constructor.
virtual	~Species ()=default
	Destructor.
double	phi () const
	Get the overall volume fraction for this species.
double	mu () const
	Get the chemical potential for this species (units kT=1).
double	q () const
	Get the molecular partition function for this species.
Ensemble	ensemble () const
	Get the statistical ensemble for this species (open or closed).
void	setPhi (double phi)
	Set value of phi (volume fraction), if ensemble is closed.
void	setMu (double mu)
	Set value of mu (chemical potential), if ensemble is closed.
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	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 ?

Protected Member Functions
virtual void	allocateBlocks ()=0
	Allocate array of blocks.
virtual void	readBlocks (std::istream &in)=0
	Read array of blocks from parameter file.
virtual void	makePlan ()
	Make a plan for order in which propagators should be computed.
void	makePaths ()
	Create a matrix of vertex-to-vertex path signposts.
Protected Member Functions inherited from Pscf::Species< double >
void	setQ (double q)
	Set q and compute phi or mu (depending on the ensemble).
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

template<typename WT = double>
class Pscf::PolymerSpecies< WT >

Descriptor for a linear or acyclic branched block polymer.

A PolymerSpecies has an array of Vertex objects and an associated array of Edge objects. Together, these provide a description of the connectivity graph, block lengths and block monomer types of blocks within a block polymer. A PolymerSpecies object does not provide function required to solve the modified diffusion equation (MDE), and so is a descriptor but not a solver for a polymer species.

PolymerSpecies is an abstract base class for classes that act as MDE solvers as well as descriptors. Each implementation level sub-namespace of Pscf (i.e., R1d, Rpc or Rpg) contains a subclass of PolymerSpecies named Polymer that defines a function named compute() that solves the MDE for all blocks of a block polymer.
Each such implementation level sub-namespace also contains a subclass of Edge named Block that is an MDE solver and descriptor for a single block within a block polymer.

The Polymer class in each program-level namespace is derived directly from an template specialization Pscf::PolymerTmpl<Block> of the class template Pscf::PolymerTmpl, while PolymerTmpl<Block> is derived directly from PolymerSpecies. A PolymerTmpl<Block> has a private member variable that is an array of Block solver objects. The PolymerTmpl template must defines implementations of edge(int id) functions, which are declared as pure virtual functions of PolymerSpecies. Each such function must return a specific Block solver object as a reference to an Edge.

The PolymerSpecies class provides a generic description of polymer structure that only uses names of generic descriptor types (such as as Edge and Vertex) that are defined directly in the Pscf namespace. The PolymerSpecies interface does not use any of the specialized MDE solver classes that are defined in each program-level enclosed namespace of Pscf, such as the different Block and Polymer classes defined in different program-level namespaces for use in different programs. A reference to such a specialized Polymer solver object as a PolymerSpecies can thus be used as an argument to a function that requires a description of the polymer molecular structure, but that does not actually need to solve the MDE.

Definition at line 71 of file PolymerSpecies.h.

Constructor & Destructor Documentation

◆ PolymerSpecies()

template<typename WT>

Pscf::PolymerSpecies< WT >::PolymerSpecies ( )

Constructor.

Definition at line 24 of file PolymerSpecies.tpp.

References Util::ParamComposite::setClassName(), and Pscf::Species< double >::Species().

◆ ~PolymerSpecies()

template<typename WT = double>

virtual Pscf::PolymerSpecies< WT >::~PolymerSpecies ( )

virtualdefault

Destructor.

Member Function Documentation

◆ readParameters()

template<typename WT>

void Pscf::PolymerSpecies< WT >::readParameters ( std::istream & in )

virtual

Read parameters and initialize.

The default implementation of this function calls the virtual protected functions allocateBlocks() and readBlocks() to access data that is owned by the PolymerTmpl<Block> subclass.

Parameters

in	input parameter stream

Reimplemented from Pscf::Species< double >.

Reimplemented in Pscf::PolymerTmpl< BT, PT, WT >, Pscf::PolymerTmpl< Block, Propagator, double >, Pscf::PolymerTmpl< Block< D >, Propagator< D >, std::complex< double > >, Pscf::PolymerTmpl< BlockT, PropagatorT, double >, Pscf::PolymerTmpl< T::Block, T::Propagator, double >, and Pscf::PolymerTmpl< Types< D >::Block, Types< D >::Propagator, double >.

Definition at line 39 of file PolymerSpecies.tpp.

References allocateBlocks(), edge(), Util::ParamComposite::read(), readBlocks(), Util::ParamComposite::readOptional(), and Pscf::Species< WT >::readParameters().

◆ edge() [1/2]

template<typename WT = double>

virtual Edge & Pscf::PolymerSpecies< WT >::edge ( int id )

pure virtual

Get a specified Edge (block descriptor) by non-const reference.

This function is implemented by class template PolymerTmpl<Block>, which is a subclass of PolmerSpecies, in which the template argument Block must be a subclass of class Pscf::Edge.

Parameters

id	block index, 0 <= id < nBlock

Implemented in Pscf::Cpc::Polymer< D >, Pscf::PolymerTmpl< BT, PT, WT >, Pscf::PolymerTmpl< Block, Propagator, double >, Pscf::PolymerTmpl< Block< D >, Propagator< D >, std::complex< double > >, Pscf::PolymerTmpl< BlockT, PropagatorT, double >, Pscf::PolymerTmpl< T::Block, T::Propagator, double >, Pscf::PolymerTmpl< Types< D >::Block, Types< D >::Propagator, double >, Pscf::Rp::Polymer< D, T >, and Pscf::Rp::Polymer< D, Types< D > >.

Referenced by Pscf::FhMixture::initialize(), length(), makePaths(), makePlan(), nBead(), and readParameters().

◆ edge() [2/2]

template<typename WT = double>

virtual Edge const & Pscf::PolymerSpecies< WT >::edge ( int id ) const

pure virtual

Get a specified Edge (block descriptor) by const reference.

Parameters

id	block index, 0 <= id < nBlock

Implemented in Pscf::Cpc::Polymer< D >, Pscf::PolymerTmpl< BT, PT, WT >, Pscf::PolymerTmpl< Block< D >, Propagator< D >, std::complex< double > >, Pscf::PolymerTmpl< BlockT, PropagatorT, double >, Pscf::Rp::Polymer< D, T >, and Pscf::Rp::Polymer< D, Types< D > >.

◆ vertex()

template<typename WT>

Vertex const & Pscf::PolymerSpecies< WT >::vertex ( int id ) const

inline

Get a specified Vertex by const reference.

Chain ends and block junctions are all vertices.

Parameters

id	vertex index, 0 <= id < nVertex

Definition at line 321 of file PolymerSpecies.h.

Referenced by makePaths(), and Pscf::R1d::FieldIo::writeVertexQ().

◆ nBlock()

template<typename WT>

int Pscf::PolymerSpecies< WT >::nBlock ( ) const

inline

Number of blocks.

Definition at line 300 of file PolymerSpecies.h.

Referenced by Pscf::FhMixture::initialize(), Pscf::R1d::System::writeQ(), Pscf::R1d::System::writeQSlice(), Pscf::R1d::System::writeQTail(), and Pscf::R1d::FieldIo::writeVertexQ().

◆ nVertex()

template<typename WT>

int Pscf::PolymerSpecies< WT >::nVertex ( ) const

inline

Number of vertices (junctions and chain ends).

A theorem of graph theory tells us that, for any linear or acyclic branched polymer, nVertex = nBlock + 1.

Definition at line 307 of file PolymerSpecies.h.

◆ nPropagator()

template<typename WT>

int Pscf::PolymerSpecies< WT >::nPropagator ( ) const

inline

Number of propagators (2*nBlock).

Definition at line 314 of file PolymerSpecies.h.

◆ length()

template<typename WT>

double Pscf::PolymerSpecies< WT >::length ( ) const

Sum of the lengths of all blocks in the polymer (thread model).

Precondition: PolymerModel::isThread()

Definition at line 403 of file PolymerSpecies.tpp.

References edge(), Pscf::PolymerModel::isThread(), and UTIL_CHECK.

Referenced by Pscf::Rp::ScftThermo< D, Types< D > >::clear(), and Pscf::R1d::System::computeFreeEnergy().

◆ nBead()

template<typename WT>

int Pscf::PolymerSpecies< WT >::nBead ( ) const

Total number of beads in the polymer (bead model).

Precondition: PolymerModel::isBead()

Definition at line 417 of file PolymerSpecies.tpp.

References edge(), Pscf::PolymerModel::isBead(), and UTIL_CHECK.

Referenced by Pscf::Rp::ScftThermo< D, Types< D > >::clear().

◆ type()

template<typename WT>

PolymerType::Enum Pscf::PolymerSpecies< WT >::type ( ) const

inline

Get Polymer type (Branched or Linear)

Definition at line 352 of file PolymerSpecies.h.

◆ propagatorId()

template<typename WT>

Pair< int > const & Pscf::PolymerSpecies< WT >::propagatorId ( int id ) const

inline

Get a propagator identifier, indexed by order of computation.

The return value is a pair of integers that identifies a directed edge, or a propagator. The first integer is a block index between 0 and nBlock - 1, and the second is a propagator direction id, which must be 0 or 1. By convention, direction 0 of Edge i propagates from vertex edge(i).vertexId(0) to vertex edge(i).vertexId(1), while direction 1 propagates in the other direction, from edge(i).vertexId(1) to edge(i).vertexId(0).

The propagators are indexed in an order that is computed by the protected function PolymerSpecies::makePlan. The indexing is chosen such that, if MDEs for different propagators are solved in sequential order by propagator index, then information required to construct the initial condition for the MDE within each propagator (the source slice) is guaranteed to be available from the solution of previous calculations.

Parameters

id	propagator index, in order of computation plan

Definition at line 328 of file PolymerSpecies.h.

References UTIL_CHECK.

◆ path()

template<typename WT>

Pair< int > const & Pscf::PolymerSpecies< WT >::path	(	int	is,
		int	it ) const

inline

Get an id for a propagator from one vertex towards a target.

For is != it, the return value is an identifier for an outgoing propagator that begins at the source vertex (vertex index is) and is the first edge of the directed path that leads from the source vertex to the target vertex (vertex id it). The return value is a pair of integers analogous to that returned by the propagatorId(int) member function, for which the first element is a block index and the second element is a direction id (0 or 1) for the propagator direction for that block that is outgoing from from the source vertex along the unique path leading to the target vertex. The requirement that the propagator be outgoing from vertex is implies that if path(is, it) == [ib, id], then edge(ib).vertexId(id) == is.

Parameters

is	index of the source vertex
it	index of the target vertex

Definition at line 339 of file PolymerSpecies.h.

References UTIL_CHECK.

Referenced by makePaths().

◆ allocateBlocks()

template<typename WT = double>

virtual void Pscf::PolymerSpecies< WT >::allocateBlocks ( )

protectedpure virtual

Allocate array of blocks.

Implemented in Pscf::PolymerTmpl< BT, PT, WT >, Pscf::PolymerTmpl< Block, Propagator, double >, Pscf::PolymerTmpl< Block< D >, Propagator< D >, std::complex< double > >, Pscf::PolymerTmpl< BlockT, PropagatorT, double >, Pscf::PolymerTmpl< T::Block, T::Propagator, double >, and Pscf::PolymerTmpl< Types< D >::Block, Types< D >::Propagator, double >.

Referenced by readParameters().

◆ readBlocks()

template<typename WT = double>

virtual void Pscf::PolymerSpecies< WT >::readBlocks ( std::istream & in )

protectedpure virtual

Read array of blocks from parameter file.

Parameters

in	parameter input stream

Implemented in Pscf::PolymerTmpl< BT, PT, WT >, Pscf::PolymerTmpl< Block, Propagator, double >, Pscf::PolymerTmpl< Block< D >, Propagator< D >, std::complex< double > >, Pscf::PolymerTmpl< BlockT, PropagatorT, double >, Pscf::PolymerTmpl< T::Block, T::Propagator, double >, and Pscf::PolymerTmpl< Types< D >::Block, Types< D >::Propagator, double >.

Referenced by readParameters().

◆ makePlan()

template<typename WT>

void Pscf::PolymerSpecies< WT >::makePlan ( )

protectedvirtual

Make a plan for order in which propagators should be computed.

The algorithm creates a plan for processing propagators in an order that guarantees that the inital conditions required for solution of the MDE for each propagator is known before it is processed. The resulting sequence can be accessed by the propagatorId(int id) member function. This function should be called in the readParameters member function.

The algorithm implemented by this function will yield a valid sequence for any any acyclic branched block polymer. There can, however, exist two or more valid sequences of computations that satisfy the requirements imposed here. Different valid sequences should yield to nearly identical computational performance in a strictly sequential algorithm. The algorithm used in this function was not designed to choose from among different possible valid sequences based on consideration of possible extension to a threaded implementation, or on any other performance consideration.

Definition at line 111 of file PolymerSpecies.tpp.

References Util::DMatrix< Data >::allocate(), edge(), Pscf::Vertex::inPropagatorId(), Pscf::Vertex::size(), and UTIL_THROW.

◆ makePaths()

template<typename WT>

void Pscf::PolymerSpecies< WT >::makePaths ( )

protected

Create a matrix of vertex-to-vertex path signposts.

This function constructs the data structure that is accessed by the PolymerSpecies::path member function. This function should be called in the readParameters member function.

Definition at line 163 of file PolymerSpecies.tpp.

References Util::DArray< Data >::allocate(), edge(), Pscf::Vertex::outPropagatorId(), path(), Pscf::Vertex::size(), UTIL_CHECK, and vertex().

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

Public Member Functions

Protected Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ PolymerSpecies()

◆ ~PolymerSpecies()

Member Function Documentation

◆ readParameters()

◆ edge() [1/2]

◆ edge() [2/2]

◆ vertex()

◆ nBlock()

◆ nVertex()

◆ nPropagator()

◆ length()

◆ nBead()

◆ type()

◆ propagatorId()

◆ path()

◆ allocateBlocks()

◆ readBlocks()

◆ makePlan()

◆ makePaths()