MPQC  3.0.0-alpha
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 #ifndef _util_misc_units_h
29 #define _util_misc_units_h
30 
31 #include <util/class/class.h>
32 #include <util/state/state.h>
33 #include <util/ref/ref.h>
34 
35 namespace sc {
36 
38 class Units: public SavableState {
39  protected:
40  char *strrep_;
41  double to_atomic_units_;
42 
43  void parse_unit();
44  public:
45  enum Storage { Steal, Copy };
46 
48  Units(const char *strrep);
53  Units(char *strrep, Units::Storage = Units::Copy);
55  Units(StateIn& s);
56  ~Units();
57 
59  double to(const Ref<Units> &u) const;
61  double from(const Ref<Units> &u) const;
62 
64  double to_atomic_units() const;
66  double from_atomic_units() const;
67 
69  const char *string_rep() const;
70 
72  void save_data_state(StateOut&s);
73 };
74 
75 }
76 
77 #endif
78 
79 // Local Variables:
80 // mode: c++
81 // c-file-style: "CLJ"
82 // End:
sc::Units::from
double from(const Ref< Units > &u) const
The conversion factor from u to this.
sc::Ref
A template class that maintains references counts.
Definition: ref.h:361
sc::Units::Units
Units(const char *strrep)
Create using a string representation, like "kcal/mol".
sc::Units::from_atomic_units
double from_atomic_units() const
The conversion factor from atom units to this.
sc::StateIn
Definition: statein.h:79
sc::StateOut
Definition: stateout.h:71
sc::Units::to
double to(const Ref< Units > &u) const
The conversion factor from this to u.
sc::Units::to_atomic_units
double to_atomic_units() const
The conversion factor from this to atomic units.
sc::SavableState
Base class for objects that can save/restore state.
Definition: state.h:45
sc::Units::string_rep
const char * string_rep() const
The string representation of the units.
sc
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14
sc::Units::save_data_state
void save_data_state(StateOut &s)
Save the state of the Units object to s.
sc::Units
The Units class is used to perform unit conversions.
Definition: units.h:38

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