MPQC 2.3.1
units.h
1//
2// units.h
3//
4// Copyright (C) 1997 Limit Point Systems, Inc.
5//
6// Author: Curtis Janssen <cljanss@limitpt.com>
7// Maintainer: LPS
8//
9// This file is part of the SC Toolkit.
10//
11// The SC Toolkit is free software; you can redistribute it and/or modify
12// it under the terms of the GNU Library General Public License as published by
13// the Free Software Foundation; either version 2, or (at your option)
14// any later version.
15//
16// The SC Toolkit is distributed in the hope that it will be useful,
17// but WITHOUT ANY WARRANTY; without even the implied warranty of
18// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19// GNU Library General Public License for more details.
20//
21// You should have received a copy of the GNU Library General Public License
22// along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24//
25// The U.S. Government is granted a limited license as per AL 91-7.
26//
27
28#ifdef __GNUG__
29#pragma interface
30#endif
31
32#ifndef _util_misc_units_h
33#define _util_misc_units_h
34
35#include <util/class/class.h>
36#include <util/state/state.h>
37#include <util/ref/ref.h>
38
39namespace sc {
40
42class Units: public SavableState {
43 protected:
44 char *strrep_;
45 double to_atomic_units_;
46
47 void parse_unit();
48 public:
49 enum Storage { Steal, Copy };
50
52 Units(const char *strrep);
57 Units(char *strrep, Units::Storage = Units::Copy);
60 ~Units();
61
63 double to(const Ref<Units> &u) const;
65 double from(const Ref<Units> &u) const;
66
68 double to_atomic_units() const;
70 double from_atomic_units() const;
71
73 const char *string_rep() const;
74
77};
78
79}
80
81#endif
82
83// Local Variables:
84// mode: c++
85// c-file-style: "CLJ"
86// End:
A template class that maintains references counts.
Definition ref.h:332
Base class for objects that can save/restore state.
Definition state.h:46
Restores objects that derive from SavableState.
Definition statein.h:70
Serializes objects that derive from SavableState.
Definition stateout.h:61
The Units class is used to perform unit converions.
Definition units.h:42
Units(char *strrep, Units::Storage=Units::Copy)
Create using a string representation, like "kcal/mol".
double from(const Ref< Units > &u) const
The conversion factor from u to this.
double to(const Ref< Units > &u) const
The conversion factor from this to u.
double to_atomic_units() const
The conversion factor from this to atomic units.
Units(const char *strrep)
Create using a string representation, like "kcal/mol".
double from_atomic_units() const
The conversion factor from atom units to this.
void save_data_state(StateOut &s)
Save the state of the Units object to s.
const char * string_rep() const
The string representation of the units.
Units(StateIn &s)
Restore the state of a Units object from s.

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