OrderParameter.hpp

/*
    dmcut2, a library for Monte-Carlo simulations at surfaces
    Copyright (C) 2008 Mathias Laurin <mathias_laurin@users.sourceforge.net>

    This program is free software; you can redistribute it and/or modify
    it under the terms of the GNU General Public License as published by
    the Free Software Foundation; either version 2 of the License, or
    (at your option) any later version.

    This program 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 General Public License for more details.

    You should have received a copy of the GNU General Public License along
    with this program; if not, write to the Free Software Foundation, Inc.,
    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*/
#ifndef ORDER_PARAMETER_HPP
#define ORDER_PARAMETER_HPP

#include <map>
#include <utility>
#include <tr1/functional>
#include "Lattice.hpp"
#include "Species.hpp"

namespace Surface {

class OrderParameter: public std::tr1::function<void(Site*)>
        {
        
        public:
                OrderParameter(Lattice::size_type lattice_width, int multiplicity):
                lattice_width_(lattice_width), multiplicity_(multiplicity), energy_counter_(0) { };
                
                void operator()(const Site* site);
                

                
                double p2x2(const Species& species, const Site::Name& site_name) const;
                
                double p2x1(const Species& species, const Site::Name& site_name) const;
                
                double sqrt3xsqrt3(const Species& species, const Site::Name& site_name) const;
                
                

                
                double TotalEnergy() const;
                
                Lattice::size_type Population(const Species& species) const;
                
                
        private:
                
                class Impl
                {
                public:
                        Impl(): p(3), r(3)  {};
                        
                        void operator()(const int row, const int col);
                        
                        double p2x2() const;
                        
                        double p2x1() const;
                        
                        double sqrt3xsqrt3() const;
                        
                private:
                        std::vector<double> p;
                        std::vector<double> r;          
                };
                
                typedef std::pair<Species, Site::Name> key;
                typedef std::map<key, Impl> Impl_map;
                
                Impl_map impl_map;
                
                // number of columns
                Lattice::size_type lattice_width_;
                
                int multiplicity_;
                
                double energy_counter_;
                
                std::map<Species, Lattice::size_type> species_counter_;         
        };
        
} // namespace Surface

#endif

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