Pscf::Homogeneous::Clump Class Reference

Collection of all monomers of a single type in a molecule. More...

#include <Clump.h>

Public Member Functions
	Clump ()
	Constructor. More...
template<class Archive >
void	serialize (Archive &ar, unsigned int versionId)
	Serialize to/from archive. More...
Setters
void	setMonomerId (int monomerId)
	Set the monomer id. More...
void	setSize (double size)
	Set the size of this block. More...

Accessors (getters)
int	monomerId () const
	Get the monomer type id. More...
double	size () const
	Get the size (number of monomers) in this block. More...
std::istream &	operator>> (std::istream &in, Clump &block)
	istream extractor for a Clump. More...
std::ostream &	operator<< (std::ostream &out, const Clump &block)
	ostream inserter for a Clump. More...

Detailed Description

Collection of all monomers of a single type in a molecule.

A clump has a monomer id and a size. The size of a clump is the volume occupied by all monomers of the specified type in a particular molecular species, divided by a monomer reference volume.

For a block copolymer, a clump is generally different than a block because a clump may include the monomers in two or more blocks of the same monomer type. Hompolymer and point solvent molecular species each have only one clump.

Definition at line 35 of file Clump.h.

Constructor & Destructor Documentation

Clump()

Pscf::Homogeneous::Clump::Clump

(

)

Constructor.

Definition at line 16 of file Clump.cpp.

Member Function Documentation

serialize()

template<class Archive >

void Pscf::Homogeneous::Clump::serialize	(	Archive &	ar,
		unsigned int	versionId
	)

Serialize to/from archive.

Parameters

ar	input or output Archive
versionId	archive format version index

Definition at line 140 of file Clump.h.

setMonomerId()

void Pscf::Homogeneous::Clump::setMonomerId

(

int

monomerId

)

Set the monomer id.

Parameters

monomerId

integer id of monomer type (>=0)

Definition at line 24 of file Clump.cpp.

References monomerId().

setSize()

void Pscf::Homogeneous::Clump::setSize

(

double

size

)

Set the size of this block.

The ``size" is steric volume / reference volume.

Parameters

size	block size (number of monomers).

Definition at line 30 of file Clump.cpp.

References size().

monomerId()

int Pscf::Homogeneous::Clump::monomerId ( ) const

inline

Get the monomer type id.

Definition at line 127 of file Clump.h.

Referenced by Pscf::Homogeneous::Mixture::computeMu(), Pscf::Homogeneous::Mixture::computePhi(), setMonomerId(), and Pscf::Homogeneous::Mixture::validate().

size()

double Pscf::Homogeneous::Clump::size ( ) const

inline

Get the size (number of monomers) in this block.

Definition at line 133 of file Clump.h.

Referenced by pscfpp.file.File::__eq__(), pscfpp.text.Record::__init__(), pscfpp.file.File::__init__(), pscfpp.file.File::__repr__(), pscfpp.text.Record::__str__(), Pscf::Homogeneous::Mixture::computeMu(), Pscf::Homogeneous::Mixture::computePhi(), and setSize().

Friends And Related Function Documentation

operator>>

std::istream & operator>> ( std::istream &  in, Clump &  block  )

friend

istream extractor for a Clump.

Parameters

in	input stream
block	Clump to be read from stream

Returns

modified input stream

Definition at line 36 of file Clump.cpp.

operator<<

std::ostream & operator<< ( std::ostream &  out, const Clump &  block  )

friend

ostream inserter for a Clump.

Parameters

out	output stream
block	Clump to be written to stream

Returns

modified output stream

Definition at line 46 of file Clump.cpp.

---

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

• Clump.h
• Clump.cpp