| 1 | /* | 
|---|
| 2 | * ConvexEnvelopeAction.cpp | 
|---|
| 3 | * | 
|---|
| 4 | *  Created on: May 12, 2010 | 
|---|
| 5 | *      Author: heber | 
|---|
| 6 | */ | 
|---|
| 7 |  | 
|---|
| 8 | #include "Helpers/MemDebug.hpp" | 
|---|
| 9 |  | 
|---|
| 10 | #include "Actions/TesselationAction/ConvexEnvelopeAction.hpp" | 
|---|
| 11 | #include "Actions/ActionRegistry.hpp" | 
|---|
| 12 | #include "boundary.hpp" | 
|---|
| 13 | #include "config.hpp" | 
|---|
| 14 | #include "linkedcell.hpp" | 
|---|
| 15 | #include "Helpers/Log.hpp" | 
|---|
| 16 | #include "molecule.hpp" | 
|---|
| 17 | #include "tesselation.hpp" | 
|---|
| 18 | #include "Helpers/Verbose.hpp" | 
|---|
| 19 | #include "World.hpp" | 
|---|
| 20 |  | 
|---|
| 21 | #include <iostream> | 
|---|
| 22 | #include <string> | 
|---|
| 23 |  | 
|---|
| 24 | using namespace std; | 
|---|
| 25 |  | 
|---|
| 26 | #include "UIElements/UIFactory.hpp" | 
|---|
| 27 | #include "UIElements/Dialog.hpp" | 
|---|
| 28 | #include "Actions/ValueStorage.hpp" | 
|---|
| 29 |  | 
|---|
| 30 | /****** TesselationConvexEnvelopeAction *****/ | 
|---|
| 31 |  | 
|---|
| 32 | // memento to remember the state when undoing | 
|---|
| 33 |  | 
|---|
| 34 | //class TesselationConvexEnvelopeState : public ActionState { | 
|---|
| 35 | //public: | 
|---|
| 36 | //  TesselationConvexEnvelopeState(molecule* _mol,std::string _lastName) : | 
|---|
| 37 | //    mol(_mol), | 
|---|
| 38 | //    lastName(_lastName) | 
|---|
| 39 | //  {} | 
|---|
| 40 | //  molecule* mol; | 
|---|
| 41 | //  std::string lastName; | 
|---|
| 42 | //}; | 
|---|
| 43 |  | 
|---|
| 44 | const char TesselationConvexEnvelopeAction::NAME[] = "convex-envelope"; | 
|---|
| 45 |  | 
|---|
| 46 | TesselationConvexEnvelopeAction::TesselationConvexEnvelopeAction() : | 
|---|
| 47 | Action(NAME) | 
|---|
| 48 | {} | 
|---|
| 49 |  | 
|---|
| 50 | TesselationConvexEnvelopeAction::~TesselationConvexEnvelopeAction() | 
|---|
| 51 | {} | 
|---|
| 52 |  | 
|---|
| 53 | void TesselationConvexEnvelope(std::string &filenameConvex, std::string &filenameNonConvex) { | 
|---|
| 54 | ValueStorage::getInstance().setCurrentValue("convex-file", filenameConvex); | 
|---|
| 55 | ValueStorage::getInstance().setCurrentValue("nonconvex-file", filenameConvex); | 
|---|
| 56 | ActionRegistry::getInstance().getActionByName(TesselationConvexEnvelopeAction::NAME)->call(Action::NonInteractive); | 
|---|
| 57 | }; | 
|---|
| 58 |  | 
|---|
| 59 | Dialog* TesselationConvexEnvelopeAction::fillDialog(Dialog *dialog) { | 
|---|
| 60 | ASSERT(dialog,"No Dialog given when filling action dialog"); | 
|---|
| 61 |  | 
|---|
| 62 | dialog->queryEmpty(NAME, ValueStorage::getInstance().getDescription(NAME)); | 
|---|
| 63 | dialog->queryString("convex-file", ValueStorage::getInstance().getDescription("convex-file")); | 
|---|
| 64 | dialog->queryString("nonconvex-file", ValueStorage::getInstance().getDescription("nonconvex-file")); | 
|---|
| 65 |  | 
|---|
| 66 | return dialog; | 
|---|
| 67 | } | 
|---|
| 68 |  | 
|---|
| 69 | Action::state_ptr TesselationConvexEnvelopeAction::performCall() { | 
|---|
| 70 | string filenameConvex; | 
|---|
| 71 | string filenameNonConvex; | 
|---|
| 72 | molecule * mol = NULL; | 
|---|
| 73 | bool Success = true; | 
|---|
| 74 | config *configuration = World::getInstance().getConfig(); | 
|---|
| 75 |  | 
|---|
| 76 | ValueStorage::getInstance().queryCurrentValue("convex-file", filenameConvex); | 
|---|
| 77 | ValueStorage::getInstance().queryCurrentValue("nonconvex-file", filenameNonConvex); | 
|---|
| 78 |  | 
|---|
| 79 | for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) { | 
|---|
| 80 | mol = iter->second; | 
|---|
| 81 | class Tesselation *TesselStruct = NULL; | 
|---|
| 82 | const LinkedCell *LCList = NULL; | 
|---|
| 83 | DoLog(0) && (Log() << Verbose(0) << "Evaluating volume of the convex envelope."); | 
|---|
| 84 | DoLog(1) && (Log() << Verbose(1) << "Storing tecplot convex data in " << filenameConvex << "." << endl); | 
|---|
| 85 | DoLog(1) && (Log() << Verbose(1) << "Storing tecplot non-convex data in " << filenameNonConvex << "." << endl); | 
|---|
| 86 | LCList = new LinkedCell(mol, 100.); | 
|---|
| 87 | //Boundaries *BoundaryPoints = NULL; | 
|---|
| 88 | //FindConvexBorder(mol, BoundaryPoints, TesselStruct, LCList, argv[argptr]); | 
|---|
| 89 | // TODO: Beide Funktionen sollten streams anstelle des Filenamen benutzen, besser fuer unit tests | 
|---|
| 90 | FindNonConvexBorder(mol, TesselStruct, LCList, 50., filenameNonConvex.c_str()); | 
|---|
| 91 | //RemoveAllBoundaryPoints(TesselStruct, mol, argv[argptr]); | 
|---|
| 92 | const double volumedifference = ConvexizeNonconvexEnvelope(TesselStruct, mol, filenameConvex.c_str()); | 
|---|
| 93 | const double clustervolume = VolumeOfConvexEnvelope(TesselStruct, configuration); | 
|---|
| 94 | DoLog(0) && (Log() << Verbose(0) << "The tesselated volume area is " << clustervolume << " " << (configuration->GetIsAngstroem() ? "angstrom" : "atomiclength") << "^3." << endl); | 
|---|
| 95 | DoLog(0) && (Log() << Verbose(0) << "The non-convex tesselated volume area is " << clustervolume-volumedifference << " " << (configuration->GetIsAngstroem() ? "angstrom" : "atomiclength") << "^3." << endl); | 
|---|
| 96 | delete(TesselStruct); | 
|---|
| 97 | delete(LCList); | 
|---|
| 98 | } | 
|---|
| 99 | if (Success) | 
|---|
| 100 | return Action::success; | 
|---|
| 101 | else | 
|---|
| 102 | return Action::failure; | 
|---|
| 103 | } | 
|---|
| 104 |  | 
|---|
| 105 | Action::state_ptr TesselationConvexEnvelopeAction::performUndo(Action::state_ptr _state) { | 
|---|
| 106 | //  TesselationConvexEnvelopeState *state = assert_cast<TesselationConvexEnvelopeState*>(_state.get()); | 
|---|
| 107 |  | 
|---|
| 108 | //  string newName = state->mol->getName(); | 
|---|
| 109 | //  state->mol->setName(state->lastName); | 
|---|
| 110 |  | 
|---|
| 111 | return Action::failure; | 
|---|
| 112 | } | 
|---|
| 113 |  | 
|---|
| 114 | Action::state_ptr TesselationConvexEnvelopeAction::performRedo(Action::state_ptr _state){ | 
|---|
| 115 | // Undo and redo have to do the same for this action | 
|---|
| 116 | return performUndo(_state); | 
|---|
| 117 | } | 
|---|
| 118 |  | 
|---|
| 119 | bool TesselationConvexEnvelopeAction::canUndo() { | 
|---|
| 120 | return false; | 
|---|
| 121 | } | 
|---|
| 122 |  | 
|---|
| 123 | bool TesselationConvexEnvelopeAction::shouldUndo() { | 
|---|
| 124 | return false; | 
|---|
| 125 | } | 
|---|
| 126 |  | 
|---|
| 127 | const string TesselationConvexEnvelopeAction::getName() { | 
|---|
| 128 | return NAME; | 
|---|
| 129 | } | 
|---|