| 1 | //
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| 2 | // units.h
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| 3 | //
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| 4 | // Copyright (C) 1997 Limit Point Systems, Inc.
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| 5 | //
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| 6 | // Author: Curtis Janssen <cljanss@limitpt.com>
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| 7 | // Maintainer: LPS
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| 8 | //
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| 9 | // This file is part of the SC Toolkit.
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| 10 | //
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| 11 | // The SC Toolkit is free software; you can redistribute it and/or modify
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| 12 | // it under the terms of the GNU Library General Public License as published by
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| 13 | // the Free Software Foundation; either version 2, or (at your option)
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| 14 | // any later version.
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| 15 | //
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| 16 | // The SC Toolkit is distributed in the hope that it will be useful,
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| 17 | // but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 18 | // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 19 | // GNU Library General Public License for more details.
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| 20 | //
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| 21 | // You should have received a copy of the GNU Library General Public License
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| 22 | // along with the SC Toolkit; see the file COPYING.LIB. If not, write to
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| 23 | // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
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| 24 | //
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| 25 | // The U.S. Government is granted a limited license as per AL 91-7.
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| 26 | //
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| 27 |
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| 28 | #ifdef __GNUG__
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| 29 | #pragma interface
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| 30 | #endif
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| 31 |
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| 32 | #ifndef _util_misc_units_h
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| 33 | #define _util_misc_units_h
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| 34 |
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| 35 | #include <util/class/class.h>
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| 36 | #include <util/state/state.h>
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| 37 | #include <util/ref/ref.h>
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| 38 |
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| 39 | namespace sc {
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| 40 |
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| 41 | /// The Units class is used to perform unit converions.
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| 42 | class Units: public SavableState {
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| 43 | protected:
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| 44 | char *strrep_;
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| 45 | double to_atomic_units_;
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| 46 |
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| 47 | void parse_unit();
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| 48 | public:
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| 49 | enum Storage { Steal, Copy };
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| 50 |
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| 51 | /// Create using a string representation, like "kcal/mol".
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| 52 | Units(const char *strrep);
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| 53 | /** Create using a string representation, like "kcal/mol".
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| 54 | if Units::Steal is given is the second argment, the new
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| 55 | Units object will delete the strrep argument when it is
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| 56 | destroyed. */
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| 57 | Units(char *strrep, Units::Storage = Units::Copy);
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| 58 | /// Restore the state of a Units object from s.
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| 59 | Units(StateIn& s);
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| 60 | ~Units();
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| 61 |
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| 62 | /// The conversion factor from this to u.
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| 63 | double to(const Ref<Units> &u) const;
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| 64 | /// The conversion factor from u to this.
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| 65 | double from(const Ref<Units> &u) const;
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| 66 |
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| 67 | /// The conversion factor from this to atomic units.
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| 68 | double to_atomic_units() const;
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| 69 | /// The conversion factor from atom units to this.
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| 70 | double from_atomic_units() const;
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| 71 |
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| 72 | /// The string representation of the units.
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| 73 | const char *string_rep() const;
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| 74 |
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| 75 | /// Save the state of the Units object to s.
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| 76 | void save_data_state(StateOut&s);
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| 77 | };
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| 78 |
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| 79 | }
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| 80 |
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| 81 | #endif
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| 82 |
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| 83 | // Local Variables:
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| 84 | // mode: c++
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| 85 | // c-file-style: "CLJ"
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| 86 | // End:
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