PreComp_solver.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.
// 
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//  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 PRECOMP_H_INCLUDED
#define PRECOMP_H_INCLUDED

#include <string>
#include <vector>
#include <sstream>
#include <fstream>
#include <iostream>
#include <math.h>
#include <boost/algorithm/string.hpp>
#include <algorithm>

#include "FFEA_return_codes.h"
#include "dimensions.h"
#include "FFEA_user_info.h"
#include "mat_vec_types.h"
#include "LinkedListCube.h"
#include "SimulationParams.h"

// WARNING: Blob.h will be included after defining PreComp_params! 

using namespace std;

#include "Blob.h"

class PreComp_solver{
public:
  PreComp_solver();
  ~PreComp_solver();
  int init(PreComp_params *pc_params, SimulationParams *params, Blob **blob_array);
  int solve(scalar *blob_corr=NULL); 
  int solve_using_neighbours();  
  int solve_using_neighbours_non_critical(scalar *blob_corr=NULL);  
  void reset_fieldenergy(); 
  scalar get_U(scalar x, int typei, int typej);
  scalar get_F(scalar x, int typei, int typej);
  scalar get_field_energy(int index0, int index1);

  int compute_bead_positions(); 

  int build_pc_nearest_neighbour_lookup(); 
  int prebuild_pc_nearest_neighbour_lookup_and_swap(); 
  int prebuild_pc_nearest_neighbour_lookup(); 
  int safely_swap_pc_layers(); 

  void write_beads_to_file(FILE *fout, int timestep); 

private: 
  int msgc;
  int msg(string whatever); 
  int msg(int whatever); 
  
  int read_tabulated_values(PreComp_params &pc_params, string kind, scalar *Z, scalar scale_Z);

  int calc_force_from_pot();
  
  scalar finterpolate(scalar *Z, scalar x, int typei, int typej);

  // stuff related to the LinkedLists:
  LinkedListCube<int> pcLookUp; 
  scalar pcVoxelSize;    
  int pcVoxelsInBox[3];  
  static const int adjacent_cells[27][3]; 
  

  scalar Dx; 
  scalar x_range[2];
  scalar x_range2[2];
  int n_values; 
  int nint; 
  int ntypes; 
  scalar *U;
  scalar *F;
  typedef tetra_element_linear* TELPtr;
  TELPtr *b_elems;
  TELPtr *b_unq_elems; 
  int *b_types; 
  int *map_e_to_b;
  int n_beads; 
  int num_diff_elems; 
  scalar *b_rel_pos;
  scalar *b_pos; 
  scalar *b_forces;
  int *b_daddyblob; 
  bool *isPairActive;

  vector<string> stypes; 
  int *b_elems_ndx; 
  int *b_blob_ndx; 
  

  scalar *fieldenergy;
  int num_blobs;
  int num_threads;

};

#endif