PSCF v1.3
SolventSpecies.h
1#ifndef PSCF_SOLVENT_DESCRIPTOR_H
2#define PSCF_SOLVENT_DESCRIPTOR_H
3
4/*
5* PSCF - Polymer Self-Consistent Field
6*
7* Copyright 2015 - 2025, The Regents of the University of Minnesota
8* Distributed under the terms of the GNU General Public License.
9*/
10
11#include <pscf/chem/Species.h> // base class
12
13namespace Pscf {
14
15 using namespace Util;
16
33 class SolventSpecies : public Species
34 {
35
36 public:
37
42
47
53 virtual void readParameters(std::istream& in);
54
57
63 void setMonomerId(int monomerId);
64
74 void setSize(double size);
75
79
83 int monomerId() const;
84
88 double size() const;
89
91
92 private:
93
95 int monomerId_;
96
98 double size_;
99
100 };
101
102 // Inline member functions
103
104 /*
105 * Get the monomer type id.
106 */
107 inline int SolventSpecies::monomerId() const
108 { return monomerId_; }
109
110 /*
111 * Get the size (number of monomers) in this block.
112 */
113 inline double SolventSpecies::size() const
114 { return size_; }
115
116}
117#endif
SolventSpecies()
Constructor.
void setMonomerId(int monomerId)
Set the monomer id for this solvent.
void setSize(double size)
Set the molecular volume of this solvent species.
~SolventSpecies()
Constructor.
virtual void readParameters(std::istream &in)
Read parameters and initialize.
int monomerId() const
Get the monomer type id.
double size() const
Get the size (number of monomers) in this solvent.
Species()
Default constructor.
Definition Species.cpp:18
PSCF package top-level namespace.
Definition param_pc.dox:1