| 1 | /*
 | 
|---|
| 2 |  * Project: MoleCuilder
 | 
|---|
| 3 |  * Description: creates and alters molecular systems
 | 
|---|
| 4 |  * Copyright (C)  2011 University of Bonn. All rights reserved.
 | 
|---|
| 5 |  * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
 | 
|---|
| 6 |  */
 | 
|---|
| 7 | 
 | 
|---|
| 8 | /*
 | 
|---|
| 9 |  * LinkedCell_Controller.cpp
 | 
|---|
| 10 |  *
 | 
|---|
| 11 |  *  Created on: Nov 15, 2011
 | 
|---|
| 12 |  *      Author: heber
 | 
|---|
| 13 |  */
 | 
|---|
| 14 | 
 | 
|---|
| 15 | // include config.h
 | 
|---|
| 16 | #ifdef HAVE_CONFIG_H
 | 
|---|
| 17 | #include <config.h>
 | 
|---|
| 18 | #endif
 | 
|---|
| 19 | 
 | 
|---|
| 20 | #include "CodePatterns/MemDebug.hpp"
 | 
|---|
| 21 | 
 | 
|---|
| 22 | #include "Box.hpp"
 | 
|---|
| 23 | #include "LinkedCell_Controller.hpp"
 | 
|---|
| 24 | #include "LinkedCell_Model.hpp"
 | 
|---|
| 25 | #include "LinkedCell_View.hpp"
 | 
|---|
| 26 | 
 | 
|---|
| 27 | #include "CodePatterns/Assert.hpp"
 | 
|---|
| 28 | 
 | 
|---|
| 29 | using namespace LinkedCell;
 | 
|---|
| 30 | 
 | 
|---|
| 31 | /** Constructor of class LinkedCell_Controller.
 | 
|---|
| 32 |  *
 | 
|---|
| 33 |  */
 | 
|---|
| 34 | LinkedCell_Controller::LinkedCell_Controller(const Box &_domain) :
 | 
|---|
| 35 |     domain(_domain)
 | 
|---|
| 36 | {}
 | 
|---|
| 37 | 
 | 
|---|
| 38 | /** Destructor of class LinkedCell_Controller.
 | 
|---|
| 39 |  *
 | 
|---|
| 40 |  * Here, we free all LinkedCell_Model instances again.
 | 
|---|
| 41 |  *
 | 
|---|
| 42 |  */
 | 
|---|
| 43 | LinkedCell_Controller::~LinkedCell_Controller()
 | 
|---|
| 44 | {
 | 
|---|
| 45 |   // remove all linked cell models
 | 
|---|
| 46 |   for(MapEdgelengthModel::iterator iter = ModelsMap.begin();
 | 
|---|
| 47 |       !ModelsMap.empty(); iter = ModelsMap.begin()) {
 | 
|---|
| 48 |     delete iter->second;
 | 
|---|
| 49 |     ModelsMap.erase(iter);
 | 
|---|
| 50 |   }
 | 
|---|
| 51 | }
 | 
|---|
| 52 | 
 | 
|---|
| 53 | /** Internal function to decide whether a suitable model is present or not.
 | 
|---|
| 54 |  *
 | 
|---|
| 55 |  * Here, the heuristic for deciding whether a new linked cell structure has to
 | 
|---|
| 56 |  * be constructed or not is implemented.
 | 
|---|
| 57 |  *
 | 
|---|
| 58 |  * \note Dealing out a pointer is here (hopefully) safe because the function is
 | 
|---|
| 59 |  * internal and we - inside this class - know what we are doing.
 | 
|---|
| 60 |  *
 | 
|---|
| 61 |  * @param distance edge length of the requested linked cell structure
 | 
|---|
| 62 |  * @return NULL - there is no fitting LinkedCell_Model, else - pointer to instance
 | 
|---|
| 63 |  */
 | 
|---|
| 64 | const LinkedCell_Model *LinkedCell_Controller::getBestModel(const double distance) const
 | 
|---|
| 65 | {
 | 
|---|
| 66 |   for(MapEdgelengthModel::const_iterator iter = ModelsMap.begin();
 | 
|---|
| 67 |       iter != ModelsMap.end(); ++iter) {
 | 
|---|
| 68 |     // here, we use the heuristic
 | 
|---|
| 69 |     if (true) {
 | 
|---|
| 70 |       return iter->second;
 | 
|---|
| 71 |     }
 | 
|---|
| 72 |   }
 | 
|---|
| 73 |   return NULL;
 | 
|---|
| 74 | }
 | 
|---|
| 75 | 
 | 
|---|
| 76 | /** Returns the a suitable LinkedCell_Model contained in a LinkedCell_View
 | 
|---|
| 77 |  *  for the requested \a distance.
 | 
|---|
| 78 |  *
 | 
|---|
| 79 |  * \sa getBestModel()
 | 
|---|
| 80 |  *
 | 
|---|
| 81 |  * @param distance edge length of the requested linked cell structure
 | 
|---|
| 82 |  * @return LinkedCell_View wrapping the best LinkedCell_Model
 | 
|---|
| 83 |  */
 | 
|---|
| 84 | LinkedCell_View LinkedCell_Controller::getView(const double distance)
 | 
|---|
| 85 | {
 | 
|---|
| 86 |   // look for best instance
 | 
|---|
| 87 |   const LinkedCell_Model *LCModel_best = getBestModel(distance);
 | 
|---|
| 88 | 
 | 
|---|
| 89 |   // construct new instance if none found
 | 
|---|
| 90 |   if (LCModel_best == NULL) {
 | 
|---|
| 91 |     LinkedCell_Model *LCModel_new = new LinkedCell_Model(distance, domain);
 | 
|---|
| 92 |     std::pair< MapEdgelengthModel::iterator, bool> inserter =
 | 
|---|
| 93 |         ModelsMap.insert( std::make_pair(distance, LCModel_new) );
 | 
|---|
| 94 |     ASSERT(inserter.second,
 | 
|---|
| 95 |         "LinkedCell_Controller::getView() - LinkedCell_Model instance with distance "
 | 
|---|
| 96 |         +toString(distance)+" already present.");
 | 
|---|
| 97 |     LinkedCell_View interface(const_cast<const LinkedCell_Model &>(*LCModel_new));
 | 
|---|
| 98 |     return interface;
 | 
|---|
| 99 |   } else {
 | 
|---|
| 100 |     // construct interface and return
 | 
|---|
| 101 |     LinkedCell_View interface(*LCModel_best);
 | 
|---|
| 102 |     return interface;
 | 
|---|
| 103 |   }
 | 
|---|
| 104 | }
 | 
|---|