Pscf::R1d::Block Class Reference

Block within a block polymer. More...

#include <Block.h>

Inheritance diagram for Pscf::R1d::Block:

Public Member Functions
	Block ()
	Constructor.
	~Block ()
	Destructor.
void	setDiscretization (Domain const &domain, double ds)
	Initialize discretization and allocate required memory.
virtual void	setLength (double newLength)
	Set length and readjust ds_ accordingly.
void	setupSolver (DArray< double > const &w)
	Set Crank-Nicholson solver for this block.
void	computeConcentration (double prefactor)
	Compute concentration for block by integration.
void	step (DArray< double > const &q, DArray< double > &qNew)
	Compute one step of integration loop, from i to i+1.
Domain const &	domain () const
	Return associated domain by reference.
int	ns () const
	Number of contour length steps.
Public Member Functions inherited from Pscf::BlockTmpl< Propagator, DArray< double > >
	BlockTmpl ()
	Constructor.
virtual	~BlockTmpl ()
	Destructor.
virtual void	setKuhn (double kuhn)
	Set monomer statistical segment length.
Propagator &	propagator (int directionId)
	Get a Propagator for a specified direction.
DArray< double > &	cField ()
	Get the associated monomer concentration field.
double	kuhn () const
	Get monomer statistical segment length.
Public Member Functions inherited from Pscf::Edge
	Edge ()
	Constructor.
virtual	~Edge ()
	Destructor.
template<class Archive>
void	serialize (Archive &ar, unsigned int versionId)
	Serialize to/from archive.
void	setId (int id)
	Set the id for this block.
void	setMonomerId (int monomerId)
	Set the monomer type id.
void	setVertexIds (int vertexId0, int vertexId1)
	Set indices of associated vertices.
virtual void	setNBead (int nBead)
	Set the number of beads in this block (only valid for bead model).
void	setPolymerType (PolymerType::Enum type)
	Set the type of the parent polymer (branched or linear).
int	id () const
	Get the id of this block (unique within the polymer).
int	monomerId () const
	Get the monomer type id for this block.
const Pair< int > &	vertexIds () const
	Get the pair of associated vertex ids.
int	vertexId (int i) const
	Get the id of one associated vertex.
double	length () const
	Get the length of this block, in the thread model.
int	nBead () const
	Get the number of beads in this block, in the bead model.
PolymerType::Enum	polymerType () const
	Get the type of the parent polymer (branched or linear).

Additional Inherited Members
Public Types inherited from Pscf::BlockTmpl< Propagator, DArray< double > >
using	PropagatorT
	Modified diffusion equation solver (propagator) type.
using	FieldT
	Field type.

Detailed Description

Block within a block polymer.

Derived directly from BlockTmpl<Propagator, DArray<double> >, and indirectry form Pscf::Edge. A Block has two Propagator members and a monomer concentration field.

Definition at line 34 of file r1d/solvers/Block.h.

Constructor & Destructor Documentation

Block()

Pscf::R1d::Block::Block

(

)

Constructor.

Definition at line 26 of file r1d/solvers/Block.cpp.

References Pscf::BlockTmpl< Propagator, DArray< double > >::propagator().

~Block()

Pscf::R1d::Block::~Block

(

)

Destructor.

Definition at line 39 of file r1d/solvers/Block.cpp.

Member Function Documentation

setDiscretization()

void Pscf::R1d::Block::setDiscretization	(	Domain const &	domain,
		double	ds )

Initialize discretization and allocate required memory.

Parameters

domain	associated Domain object, with grid info
ds	desired (optimal) value for contour length step

Definition at line 42 of file r1d/solvers/Block.cpp.

References Util::DArray< Data >::allocate(), Pscf::BlockTmpl< Propagator, DArray< double > >::cField(), domain(), Pscf::Edge::length(), Pscf::BlockTmpl< Propagator, DArray< double > >::propagator(), and UTIL_CHECK.

setLength()

void Pscf::R1d::Block::setLength ( double newLength )

virtual

Set length and readjust ds_ accordingly.

Parameters

newLength

length (# of monomers) for this block

Reimplemented from Pscf::Edge.

Definition at line 74 of file r1d/solvers/Block.cpp.

References Pscf::Edge::length(), Pscf::BlockTmpl< Propagator, DArray< double > >::propagator(), Pscf::Edge::setLength(), and UTIL_CHECK.

setupSolver()

void Pscf::R1d::Block::setupSolver

(

DArray< double > const &

w

)

Set Crank-Nicholson solver for this block.

Parameters

w	Chemical potential field (input)

Definition at line 126 of file r1d/solvers/Block.cpp.

References domain(), Pscf::R1d::Domain::dx(), Pscf::R1d::Domain::isShell(), Pscf::BlockTmpl< Propagator, DArray< double > >::kuhn(), Pscf::Edge::length(), Pscf::R1d::Domain::mode(), Pscf::R1d::Domain::nx(), Pscf::BlockTmpl< Propagator, DArray< double > >::propagator(), UTIL_CHECK, UTIL_THROW, Pscf::R1d::Domain::xMax(), and Pscf::R1d::Domain::xMin().

computeConcentration()

void Pscf::R1d::Block::computeConcentration

(

double

prefactor

)

Compute concentration for block by integration.

Upon return, grid point r of array cField() contains the integral int ds q(r,s)q^{*}(r,L-s) times the prefactor, where q(r,s) is the solution obtained from propagator(0), and q^{*} is the solution of propagator(1), and s is a contour variable that is integrated over the domain 0 < s < length(), where length() is the block length.

Parameters

prefactor

constant prefactor multiplying integral

Definition at line 247 of file r1d/solvers/Block.cpp.

References Pscf::BlockTmpl< Propagator, DArray< double > >::cField(), domain(), Pscf::R1d::Domain::nx(), Pscf::BlockTmpl< Propagator, DArray< double > >::propagator(), Pscf::R1d::Propagator::q(), and UTIL_CHECK.

step()

void Pscf::R1d::Block::step	(	DArray< double > const &	q,
		DArray< double > &	qNew )

Compute one step of integration loop, from i to i+1.

Parameters

q	propagator slice at step i (input)
qNew	propagator slice at step i + 1 (output)

Definition at line 300 of file r1d/solvers/Block.cpp.

References domain(), and Pscf::R1d::Domain::nx().

domain()

Domain const & Pscf::R1d::Block::domain ( ) const

inline

Return associated domain by reference.

Get Domain by reference.

Definition at line 151 of file r1d/solvers/Block.h.

References UTIL_ASSERT.

Referenced by computeConcentration(), setDiscretization(), setupSolver(), and step().

ns()

int Pscf::R1d::Block::ns ( ) const

inline

Number of contour length steps.

Get number of contour steps.

Definition at line 158 of file r1d/solvers/Block.h.

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

• r1d/solvers/Block.h
• r1d/solvers/Block.cpp