| [e776dc] | 1 | /* | 
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|  | 2 | * Project: MoleCuilder | 
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|  | 3 | * Description: creates and alters molecular systems | 
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| [0aa122] | 4 | * Copyright (C)  2012 University of Bonn. All rights reserved. | 
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| [94d5ac6] | 5 | * | 
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|  | 6 | * | 
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|  | 7 | *   This file is part of MoleCuilder. | 
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|  | 8 | * | 
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|  | 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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|  | 10 | *    it under the terms of the GNU General Public License as published by | 
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|  | 11 | *    the Free Software Foundation, either version 2 of the License, or | 
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|  | 12 | *    (at your option) any later version. | 
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|  | 13 | * | 
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|  | 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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|  | 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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|  | 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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|  | 17 | *    GNU General Public License for more details. | 
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|  | 18 | * | 
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|  | 19 | *    You should have received a copy of the GNU General Public License | 
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|  | 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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| [e776dc] | 21 | */ | 
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|  | 22 |  | 
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|  | 23 | /* | 
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|  | 24 | * LinkedCell_Model_changeModel.cpp | 
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|  | 25 | * | 
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|  | 26 | *  Created on: Dec 20, 2011 | 
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|  | 27 | *      Author: heber | 
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|  | 28 | */ | 
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|  | 29 |  | 
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|  | 30 | // include config.h | 
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|  | 31 | #ifdef HAVE_CONFIG_H | 
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|  | 32 | #include <config.h> | 
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|  | 33 | #endif | 
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|  | 34 |  | 
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| [9eb71b3] | 35 | //#include "CodePatterns/MemDebug.hpp" | 
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| [e776dc] | 36 |  | 
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|  | 37 | #include "LinkedCell_Model_changeModel.hpp" | 
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|  | 38 |  | 
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| [54f3d1] | 39 | #include "CodePatterns/Log.hpp" | 
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| [8c31865] | 40 | #include "CodePatterns/toString.hpp" | 
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|  | 41 |  | 
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| [ef0f8f] | 42 | #include "Atom/TesselPoint.hpp" | 
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|  | 43 |  | 
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| [e776dc] | 44 | /** Constructor of LinkedCell_Model::changeModel. | 
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|  | 45 | * | 
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|  | 46 | */ | 
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|  | 47 | LinkedCell::LinkedCell_Model::changeModel::changeModel(const double distance) : | 
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|  | 48 | Observable(std::string("LinkedCell_Model("+toString(distance)+")::changeModel")) | 
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|  | 49 | {} | 
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|  | 50 |  | 
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|  | 51 | /** Destructor of LinkedCell_Model::changeModel. | 
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|  | 52 | * | 
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|  | 53 | */ | 
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|  | 54 | LinkedCell::LinkedCell_Model::changeModel::~changeModel() | 
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|  | 55 | { | 
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|  | 56 | // remove all remaining updates in the queue | 
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|  | 57 | for (UpdateQueueMap::iterator iter = queue.begin(); | 
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|  | 58 | !queue.empty(); | 
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|  | 59 | iter = queue.begin()) { | 
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|  | 60 | delete iter->second; | 
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|  | 61 | queue.erase(iter); | 
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|  | 62 | } | 
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|  | 63 | } | 
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|  | 64 |  | 
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|  | 65 | /** Adds an Update instance to the internal queue. | 
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|  | 66 | * | 
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|  | 67 | * @param Walker node which is the update object | 
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|  | 68 | * @param _updateMethod bound function (to LinkedCell_Model instance) of the update function | 
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|  | 69 | */ | 
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|  | 70 | void LinkedCell::LinkedCell_Model::changeModel::addUpdate( | 
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|  | 71 | const TesselPoint *Walker, | 
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|  | 72 | const LinkedCell_Model::Update::PriorityLevel priority, | 
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| [ef0f8f] | 73 | boost::function<void (const TesselPoint *)> _updateMethod, | 
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|  | 74 | const std::string name | 
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| [e776dc] | 75 | ) | 
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|  | 76 | { | 
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|  | 77 | UpdateQueueMap::iterator iter = queue.find(Walker); | 
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|  | 78 | if (iter != queue.end()) { | 
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|  | 79 | if(iter->second->getPriority() >= priority) { | 
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|  | 80 | // replace present update with new one | 
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|  | 81 | OBSERVE; | 
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|  | 82 | delete iter->second; | 
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| [ef0f8f] | 83 | iter->second = new Update(_updateMethod, Walker, priority, name); | 
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| [54f3d1] | 84 | } else { | 
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| [ef0f8f] | 85 | LOG(2, "INFO: Rejecting update '" << name << "' for LinkedCell_Model as higher prioritized one is present."); | 
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| [e776dc] | 86 | } | 
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|  | 87 | } else { | 
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|  | 88 | // insert new update | 
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| [ef0f8f] | 89 | LOG(2, "INFO: Placing new update '" << name << "' into queue for LinkedCell_Model."); | 
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| [e776dc] | 90 | OBSERVE; | 
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| [ef0f8f] | 91 | queue.insert( std::make_pair(Walker, new Update(_updateMethod, Walker, priority, name)) ); | 
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| [e776dc] | 92 | } | 
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|  | 93 | } | 
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|  | 94 |  | 
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| [f3eb6a] | 95 | /** | 
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|  | 96 | * Removes all contained updates for a specific tesselpoint. | 
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|  | 97 | * | 
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|  | 98 | */ | 
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|  | 99 | void LinkedCell::LinkedCell_Model::changeModel::removeUpdates(const TesselPoint *Walker) | 
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|  | 100 | { | 
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|  | 101 | queue.erase(Walker); | 
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|  | 102 | } | 
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|  | 103 |  | 
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| [e776dc] | 104 | /** Empties changeModel::queue by performing all update functions. | 
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|  | 105 | * | 
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|  | 106 | */ | 
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|  | 107 | void LinkedCell::LinkedCell_Model::changeModel::performUpdates() | 
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|  | 108 | { | 
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| [44f53e] | 109 | LOG(2, "INFO: Performing "+toString(queue.size())+" updates on LinkedCell_Model."); | 
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| [e776dc] | 110 | for (UpdateQueueMap::iterator iter = queue.begin(); | 
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|  | 111 | !queue.empty(); | 
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|  | 112 | iter = queue.begin()) { | 
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| [ef0f8f] | 113 | LOG(2, "INFO: Performing update '"+iter->second->getName()+"' on " | 
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|  | 114 | +toString(iter->first)+"..."); | 
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| [e776dc] | 115 | // perform update | 
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|  | 116 | (*iter->second)(); | 
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|  | 117 | // remove update | 
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|  | 118 | delete iter->second; | 
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|  | 119 | queue.erase(iter); | 
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|  | 120 | } | 
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|  | 121 | } | 
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