| [bcf653] | 1 | /*
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 | 2 |  * Project: MoleCuilder
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 | 3 |  * Description: creates and alters molecular systems
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 | 4 |  * Copyright (C)  2010 University of Bonn. All rights reserved.
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 | 5 |  * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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 | 6 |  */
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 | 7 | 
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| [97ebf8] | 8 | /*
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 | 9 |  * SuspendInWaterAction.cpp
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 | 10 |  *
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 | 11 |  *  Created on: May 12, 2010
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 | 12 |  *      Author: heber
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 | 13 |  */
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 | 14 | 
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| [bf3817] | 15 | // include config.h
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 | 16 | #ifdef HAVE_CONFIG_H
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 | 17 | #include <config.h>
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 | 18 | #endif
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 | 19 | 
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| [112b09] | 20 | #include "Helpers/MemDebug.hpp"
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 | 21 | 
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| [97ebf8] | 22 | #include "Actions/MoleculeAction/SuspendInWaterAction.hpp"
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| [0430e3] | 23 | #include "Actions/ActionRegistry.hpp"
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| [1a3c26] | 24 | #include "boundary.hpp"
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 | 25 | #include "config.hpp"
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| [952f38] | 26 | #include "Helpers/Log.hpp"
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 | 27 | #include "Helpers/Verbose.hpp"
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| [1a3c26] | 28 | #include "World.hpp"
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| [97ebf8] | 29 | 
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 | 30 | #include <iostream>
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 | 31 | #include <string>
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 | 32 | 
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 | 33 | using namespace std;
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 | 34 | 
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 | 35 | #include "UIElements/UIFactory.hpp"
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 | 36 | #include "UIElements/Dialog.hpp"
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| [861874] | 37 | #include "Actions/ValueStorage.hpp"
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| [97ebf8] | 38 | 
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 | 39 | /****** MoleculeSuspendInWaterAction *****/
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 | 40 | 
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 | 41 | // memento to remember the state when undoing
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 | 42 | 
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 | 43 | //class MoleculeSuspendInWaterState : public ActionState {
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 | 44 | //public:
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 | 45 | //  MoleculeSuspendInWaterState(molecule* _mol,std::string _lastName) :
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 | 46 | //    mol(_mol),
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 | 47 | //    lastName(_lastName)
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 | 48 | //  {}
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 | 49 | //  molecule* mol;
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 | 50 | //  std::string lastName;
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 | 51 | //};
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 | 52 | 
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 | 53 | const char MoleculeSuspendInWaterAction::NAME[] = "suspend-in-water";
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 | 54 | 
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 | 55 | MoleculeSuspendInWaterAction::MoleculeSuspendInWaterAction() :
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 | 56 |   Action(NAME)
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 | 57 | {}
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 | 58 | 
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 | 59 | MoleculeSuspendInWaterAction::~MoleculeSuspendInWaterAction()
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 | 60 | {}
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 | 61 | 
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| [1a3c26] | 62 | void MoleculeSuspendInWater(double density) {
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 | 63 |   ValueStorage::getInstance().setCurrentValue(MoleculeSuspendInWaterAction::NAME, density);
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 | 64 |   ActionRegistry::getInstance().getActionByName(MoleculeSuspendInWaterAction::NAME)->call(Action::NonInteractive);
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 | 65 | };
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 | 66 | 
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| [047878] | 67 | Dialog* MoleculeSuspendInWaterAction::fillDialog(Dialog *dialog) {
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 | 68 |   ASSERT(dialog,"No Dialog given when filling action dialog");
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| [b9b26b] | 69 | 
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 | 70 |   dialog->queryDouble(NAME, ValueStorage::getInstance().getDescription(NAME));
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 | 71 | 
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 | 72 |   return dialog;
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 | 73 | }
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 | 74 | 
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| [97ebf8] | 75 | Action::state_ptr MoleculeSuspendInWaterAction::performCall() {
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 | 76 |   molecule *mol = NULL;
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 | 77 |   double density;
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 | 78 |   double volume = 0.;
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 | 79 | 
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| [b9b26b] | 80 |   ValueStorage::getInstance().queryCurrentValue(NAME, density);
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| [97ebf8] | 81 | 
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| [b9b26b] | 82 |   for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
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 | 83 |     mol = iter->second;
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| [97ebf8] | 84 |     DoLog(0) && (Log() << Verbose(0) << "Evaluating necessary cell volume for a cluster suspended in water.");
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 | 85 |     if (density < 1.0) {
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 | 86 |       DoeLog(1) && (eLog()<< Verbose(1) << "Density must be greater than 1.0g/cm^3!" << endl);
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 | 87 |     } else {
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 | 88 |       PrepareClustersinWater(World::getInstance().getConfig(), mol, volume, density);  // if volume == 0, will calculate from ConvexEnvelope
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 | 89 |     }
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 | 90 |   }
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| [b9b26b] | 91 |   return Action::success;
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| [97ebf8] | 92 | }
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 | 93 | 
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 | 94 | Action::state_ptr MoleculeSuspendInWaterAction::performUndo(Action::state_ptr _state) {
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 | 95 | //  MoleculeSuspendInWaterState *state = assert_cast<MoleculeSuspendInWaterState*>(_state.get());
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 | 96 | 
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 | 97 | //  string newName = state->mol->getName();
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 | 98 | //  state->mol->setName(state->lastName);
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 | 99 | 
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 | 100 |   return Action::failure;
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 | 101 | }
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 | 102 | 
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 | 103 | Action::state_ptr MoleculeSuspendInWaterAction::performRedo(Action::state_ptr _state){
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 | 104 |   // Undo and redo have to do the same for this action
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 | 105 |   return performUndo(_state);
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 | 106 | }
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 | 107 | 
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 | 108 | bool MoleculeSuspendInWaterAction::canUndo() {
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 | 109 |   return false;
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 | 110 | }
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 | 111 | 
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 | 112 | bool MoleculeSuspendInWaterAction::shouldUndo() {
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 | 113 |   return false;
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 | 114 | }
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 | 115 | 
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 | 116 | const string MoleculeSuspendInWaterAction::getName() {
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 | 117 |   return NAME;
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 | 118 | }
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