| 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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| 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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| 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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| 20 | #include "Helpers/MemDebug.hpp" | 
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| 21 |  | 
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| 22 | #include "Actions/MoleculeAction/SuspendInWaterAction.hpp" | 
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| 23 | #include "Actions/ActionRegistry.hpp" | 
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| 24 | #include "boundary.hpp" | 
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| 25 | #include "config.hpp" | 
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| 26 | #include "Helpers/Log.hpp" | 
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| 27 | #include "Helpers/Verbose.hpp" | 
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| 28 | #include "World.hpp" | 
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| 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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| 37 | #include "Actions/ValueStorage.hpp" | 
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| 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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| 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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| 67 | Dialog* MoleculeSuspendInWaterAction::fillDialog(Dialog *dialog) { | 
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| 68 | ASSERT(dialog,"No Dialog given when filling action dialog"); | 
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| 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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| 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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| 80 | ValueStorage::getInstance().queryCurrentValue(NAME, density); | 
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| 81 |  | 
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| 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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| 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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| 91 | return Action::success; | 
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| 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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