// // units.h // // Copyright (C) 1997 Limit Point Systems, Inc. // // Author: Curtis Janssen // Maintainer: LPS // // This file is part of the SC Toolkit. // // The SC Toolkit is free software; you can redistribute it and/or modify // it under the terms of the GNU Library General Public License as published by // the Free Software Foundation; either version 2, or (at your option) // any later version. // // The SC Toolkit is distributed in the hope that it will be useful, // but WITHOUT ANY WARRANTY; without even the implied warranty of // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the // GNU Library General Public License for more details. // // You should have received a copy of the GNU Library General Public License // along with the SC Toolkit; see the file COPYING.LIB. If not, write to // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA. // // The U.S. Government is granted a limited license as per AL 91-7. // #ifdef __GNUG__ #pragma interface #endif #ifndef _util_misc_units_h #define _util_misc_units_h #include #include #include namespace sc { /// The Units class is used to perform unit converions. class Units: public SavableState { protected: char *strrep_; double to_atomic_units_; void parse_unit(); public: enum Storage { Steal, Copy }; /// Create using a string representation, like "kcal/mol". Units(const char *strrep); /** Create using a string representation, like "kcal/mol". if Units::Steal is given is the second argment, the new Units object will delete the strrep argument when it is destroyed. */ Units(char *strrep, Units::Storage = Units::Copy); /// Restore the state of a Units object from s. Units(StateIn& s); ~Units(); /// The conversion factor from this to u. double to(const Ref &u) const; /// The conversion factor from u to this. double from(const Ref &u) const; /// The conversion factor from this to atomic units. double to_atomic_units() const; /// The conversion factor from atom units to this. double from_atomic_units() const; /// The string representation of the units. const char *string_rep() const; /// Save the state of the Units object to s. void save_data_state(StateOut&s); }; } #endif // Local Variables: // mode: c++ // c-file-style: "CLJ" // End: