BindingSite.h

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// 
//  This file is part of the FFEA simulation package
//  
//  Copyright (c) by the Theory and Development FFEA teams,
//  as they appear in the README.md file. 
// 
//  FFEA 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 3 of the License, or
//  (at your option) any later version.
// 
//  FFEA 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 FFEA.  If not, see <http://www.gnu.org/licenses/>.
// 
//  To help us fund FFEA development, we humbly ask that you cite 
//  the research papers on the package.
//

#ifndef BINDINGMATRIXHINCLUDED
#define BINDINGMATRIXHINCLUDED

#include <iostream>
#include <fstream>
#include <string>
#include <vector>
#include <set>
#include <cmath>
#include <boost/algorithm/string.hpp>
#include "FFEA_return_codes.h"
#include "mat_vec_types.h"
#include "mat_vec_fns.h"
#include "Face.h"

using namespace std;

class BindingSite{

    public:

        BindingSite();
        ~BindingSite();

        // Structure
        int num_faces, site_type;

        vector<Face*> faces;
        
        void print_to_screen();
        void set_num_faces(int num_faces);
        void set_type(int site_type);
        int get_type();
        void add_face(Face *aface);
        set<int> get_nodes();

        void calculate_centroid();
        void get_centroid(arr3 &v); 
        void calculate_area();
        scalar get_area();
        void calculate_characteristic_length();
        scalar get_characteristic_length();

        static bool sites_in_range(BindingSite a, BindingSite b);

    private:

        vector3 centroid;

        scalar area;

        scalar characteristic_length;
};

class BindingSite_matrix{

    public:
        
        BindingSite_matrix();
        ~BindingSite_matrix();

        int init(string fname);
        int get_num_interaction_types();
        void print_to_screen();

        int num_interaction_types;
        
        bool **interaction;
};

#endif