| [97ebf8] | 1 | /* | 
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|  | 2 | * PrincipalAxisSystemAction.cpp | 
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|  | 3 | * | 
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|  | 4 | *  Created on: May 12, 2010 | 
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|  | 5 | *      Author: heber | 
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|  | 6 | */ | 
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|  | 7 |  | 
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| [112b09] | 8 | #include "Helpers/MemDebug.hpp" | 
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|  | 9 |  | 
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| [97ebf8] | 10 | #include "Actions/AnalysisAction/PrincipalAxisSystemAction.hpp" | 
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| [0430e3] | 11 | #include "Actions/ActionRegistry.hpp" | 
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| [952f38] | 12 | #include "Helpers/Log.hpp" | 
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|  | 13 | #include "Helpers/Verbose.hpp" | 
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| [6e5084] | 14 | #include "LinearAlgebra/Matrix.hpp" | 
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|  | 15 | #include "LinearAlgebra/Vector.hpp" | 
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|  | 16 | #include "element.hpp" | 
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|  | 17 | #include "molecule.hpp" | 
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| [97ebf8] | 18 |  | 
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|  | 19 | #include <iostream> | 
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|  | 20 | #include <string> | 
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|  | 21 |  | 
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|  | 22 | using namespace std; | 
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|  | 23 |  | 
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|  | 24 | #include "UIElements/UIFactory.hpp" | 
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|  | 25 | #include "UIElements/Dialog.hpp" | 
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| [861874] | 26 | #include "Actions/ValueStorage.hpp" | 
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| [97ebf8] | 27 |  | 
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|  | 28 | const char AnalysisPrincipalAxisSystemAction::NAME[] = "principal-axis-system"; | 
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|  | 29 |  | 
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|  | 30 | AnalysisPrincipalAxisSystemAction::AnalysisPrincipalAxisSystemAction() : | 
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|  | 31 | Action(NAME) | 
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|  | 32 | {} | 
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|  | 33 |  | 
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|  | 34 | AnalysisPrincipalAxisSystemAction::~AnalysisPrincipalAxisSystemAction() | 
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|  | 35 | {} | 
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|  | 36 |  | 
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| [b31cfa] | 37 | void AnalysisPrincipalAxisSystem() { | 
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|  | 38 | ActionRegistry::getInstance().getActionByName(AnalysisPrincipalAxisSystemAction::NAME)->call(Action::NonInteractive); | 
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|  | 39 | }; | 
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|  | 40 |  | 
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| [047878] | 41 | Dialog* AnalysisPrincipalAxisSystemAction::fillDialog(Dialog *dialog) { | 
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|  | 42 | ASSERT(dialog,"No Dialog given when filling action dialog"); | 
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| [ca1ba5] | 43 |  | 
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| [b76394] | 44 | dialog->queryEmpty(NAME, ValueStorage::getInstance().getDescription(NAME)); | 
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| [ca1ba5] | 45 |  | 
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|  | 46 | return dialog; | 
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|  | 47 | } | 
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|  | 48 |  | 
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|  | 49 | Action::state_ptr AnalysisPrincipalAxisSystemAction::performCall() { | 
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| [97ebf8] | 50 | molecule *mol = NULL; | 
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| [6e5084] | 51 | Matrix InertiaTensor; | 
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| [97ebf8] | 52 |  | 
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| [9d33ba] | 53 | ValueStorage::getInstance().queryCurrentValue(NAME, mol); | 
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| [ca1ba5] | 54 | DoLog(0) && (Log() << Verbose(0) << "Evaluating prinicipal axis." << endl); | 
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| [b76394] | 55 | for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) { | 
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|  | 56 | molecule *mol = iter->second; | 
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| [6e5084] | 57 | Vector *CenterOfGravity = mol->DetermineCenterOfGravity(); | 
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|  | 58 |  | 
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|  | 59 | // reset inertia tensor | 
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|  | 60 | InertiaTensor.zero(); | 
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|  | 61 |  | 
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|  | 62 | // sum up inertia tensor | 
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|  | 63 | for (molecule::const_iterator iter = mol->begin(); iter != mol->end(); ++iter) { | 
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| [8f4df1] | 64 | Vector x = (*iter)->getPosition(); | 
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| [6e5084] | 65 | x -= *CenterOfGravity; | 
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| [8f4df1] | 66 | const double mass = (*iter)->getType()->mass; | 
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|  | 67 | InertiaTensor.at(0,0) += mass*(x[1]*x[1] + x[2]*x[2]); | 
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|  | 68 | InertiaTensor.at(0,1) += mass*(-x[0]*x[1]); | 
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|  | 69 | InertiaTensor.at(0,2) += mass*(-x[0]*x[2]); | 
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|  | 70 | InertiaTensor.at(1,0) += mass*(-x[1]*x[0]); | 
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|  | 71 | InertiaTensor.at(1,1) += mass*(x[0]*x[0] + x[2]*x[2]); | 
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|  | 72 | InertiaTensor.at(1,2) += mass*(-x[1]*x[2]); | 
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|  | 73 | InertiaTensor.at(2,0) += mass*(-x[2]*x[0]); | 
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|  | 74 | InertiaTensor.at(2,1) += mass*(-x[2]*x[1]); | 
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|  | 75 | InertiaTensor.at(2,2) += mass*(x[0]*x[0] + x[1]*x[1]); | 
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| [6e5084] | 76 | } | 
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|  | 77 | // print InertiaTensor for debugging | 
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|  | 78 | DoLog(0) && (Log() << Verbose(0) << "The inertia tensor is:" << InertiaTensor << endl); | 
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| [b76394] | 79 | } | 
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| [ca1ba5] | 80 | return Action::success; | 
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| [97ebf8] | 81 | } | 
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|  | 82 |  | 
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|  | 83 | Action::state_ptr AnalysisPrincipalAxisSystemAction::performUndo(Action::state_ptr _state) { | 
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| [ca1ba5] | 84 | return Action::success; | 
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| [97ebf8] | 85 | } | 
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|  | 86 |  | 
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|  | 87 | Action::state_ptr AnalysisPrincipalAxisSystemAction::performRedo(Action::state_ptr _state){ | 
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| [ca1ba5] | 88 | return Action::success; | 
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| [97ebf8] | 89 | } | 
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|  | 90 |  | 
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|  | 91 | bool AnalysisPrincipalAxisSystemAction::canUndo() { | 
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| [ca1ba5] | 92 | return true; | 
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| [97ebf8] | 93 | } | 
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|  | 94 |  | 
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|  | 95 | bool AnalysisPrincipalAxisSystemAction::shouldUndo() { | 
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| [ca1ba5] | 96 | return true; | 
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| [97ebf8] | 97 | } | 
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|  | 98 |  | 
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|  | 99 | const string AnalysisPrincipalAxisSystemAction::getName() { | 
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|  | 100 | return NAME; | 
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|  | 101 | } | 
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