1#ifndef PSCF_FLORY_HUGGINS_MOLECULE_H
2#define PSCF_FLORY_HUGGINS_MOLECULE_H
11#include <util/param/ParamComposite.h>
13#include <pscf/floryHuggins/Clump.h>
14#include <util/containers/Pair.h>
15#include <util/containers/DArray.h>
142 {
return clumps_[id]; }
148 {
return clumps_[id]; }
All monomers of a specific monomer type in a molecule.
virtual void readParameters(std::istream &in)
Read and initialize.
Clump & clump(int id)
Get a specified Clump.
void computeSize()
Compute total molecule size by adding clump sizes.
double size() const
Total molecule size = volume / reference volume.
int nClump() const
Number of monomer clumps (monomer types).
void setNClump(int nClump)
Set the number of clumps, and allocate memory.
Dynamically allocatable contiguous array template.
An object that can read multiple parameters from file.
#define UTIL_CHECK(condition)
Assertion macro suitable for serial or parallel production code.
Flory-Huggins theory of spatially homogeneous mixtures.
PSCF package top-level namespace.