| 1 | /*
 | 
|---|
| 2 |  * VerletIntegrationAction.cpp
 | 
|---|
| 3 |  *
 | 
|---|
| 4 |  *  Created on: May 10, 2010
 | 
|---|
| 5 |  *      Author: heber
 | 
|---|
| 6 |  */
 | 
|---|
| 7 | 
 | 
|---|
| 8 | #include "Helpers/MemDebug.hpp"
 | 
|---|
| 9 | 
 | 
|---|
| 10 | #include "Actions/MoleculeAction/VerletIntegrationAction.hpp"
 | 
|---|
| 11 | 
 | 
|---|
| 12 | #include <iostream>
 | 
|---|
| 13 | #include <fstream>
 | 
|---|
| 14 | #include <string>
 | 
|---|
| 15 | 
 | 
|---|
| 16 | using namespace std;
 | 
|---|
| 17 | 
 | 
|---|
| 18 | #include "UIElements/UIFactory.hpp"
 | 
|---|
| 19 | #include "UIElements/Dialog.hpp"
 | 
|---|
| 20 | #include "Actions/MapOfActions.hpp"
 | 
|---|
| 21 | 
 | 
|---|
| 22 | #include "atom.hpp"
 | 
|---|
| 23 | #include "log.hpp"
 | 
|---|
| 24 | #include "molecule.hpp"
 | 
|---|
| 25 | #include "verbose.hpp"
 | 
|---|
| 26 | #include "World.hpp"
 | 
|---|
| 27 | 
 | 
|---|
| 28 | /****** MoleculeVerletIntegrationAction *****/
 | 
|---|
| 29 | 
 | 
|---|
| 30 | // memento to remember the state when undoing
 | 
|---|
| 31 | 
 | 
|---|
| 32 | //class MoleculeVerletIntegrationState : public ActionState {
 | 
|---|
| 33 | //public:
 | 
|---|
| 34 | //  MoleculeVerletIntegrationState(molecule* _mol,std::string _lastName) :
 | 
|---|
| 35 | //    mol(_mol),
 | 
|---|
| 36 | //    lastName(_lastName)
 | 
|---|
| 37 | //  {}
 | 
|---|
| 38 | //  molecule* mol;
 | 
|---|
| 39 | //  std::string lastName;
 | 
|---|
| 40 | //};
 | 
|---|
| 41 | 
 | 
|---|
| 42 | const char MoleculeVerletIntegrationAction::NAME[] = "verlet-integrate";
 | 
|---|
| 43 | 
 | 
|---|
| 44 | MoleculeVerletIntegrationAction::MoleculeVerletIntegrationAction() :
 | 
|---|
| 45 |   Action(NAME)
 | 
|---|
| 46 | {}
 | 
|---|
| 47 | 
 | 
|---|
| 48 | MoleculeVerletIntegrationAction::~MoleculeVerletIntegrationAction()
 | 
|---|
| 49 | {}
 | 
|---|
| 50 | 
 | 
|---|
| 51 | Action::state_ptr MoleculeVerletIntegrationAction::performCall() {
 | 
|---|
| 52 |   string filename;
 | 
|---|
| 53 |   Dialog *dialog = UIFactory::getInstance().makeDialog();
 | 
|---|
| 54 |   molecule *mol = NULL;
 | 
|---|
| 55 | 
 | 
|---|
| 56 |   dialog->queryString(NAME, &filename, MapOfActions::getInstance().getDescription(NAME));
 | 
|---|
| 57 |   dialog->queryMolecule("molecule-by-id", &mol, MapOfActions::getInstance().getDescription("molecule-by-id"));
 | 
|---|
| 58 | 
 | 
|---|
| 59 |   if(dialog->display()) {
 | 
|---|
| 60 |     DoLog(1) && (Log() << Verbose(1) << "Parsing forces file and Verlet integrating." << endl);
 | 
|---|
| 61 |     // TODO: sollte besser stream nutzen, nicht filename direkt (es sei denn, ist prefix), besser fuer unit test
 | 
|---|
| 62 |     char outputname[MAXSTRINGSIZE];
 | 
|---|
| 63 |     strcpy(outputname, filename.c_str());
 | 
|---|
| 64 |     if (!mol->VerletForceIntegration(outputname, *(World::getInstance().getConfig())))
 | 
|---|
| 65 |       DoLog(2) && (Log() << Verbose(2) << "File not found." << endl);
 | 
|---|
| 66 |     else
 | 
|---|
| 67 |       DoLog(2) && (Log() << Verbose(2) << "File found and parsed." << endl);
 | 
|---|
| 68 | 
 | 
|---|
| 69 |     delete dialog;
 | 
|---|
| 70 |     return Action::success;
 | 
|---|
| 71 |   }
 | 
|---|
| 72 |   delete dialog;
 | 
|---|
| 73 |   return Action::failure;
 | 
|---|
| 74 | }
 | 
|---|
| 75 | 
 | 
|---|
| 76 | Action::state_ptr MoleculeVerletIntegrationAction::performUndo(Action::state_ptr _state) {
 | 
|---|
| 77 | //  MoleculeVerletIntegrationState *state = assert_cast<MoleculeVerletIntegrationState*>(_state.get());
 | 
|---|
| 78 | 
 | 
|---|
| 79 | //  string newName = state->mol->getName();
 | 
|---|
| 80 | //  state->mol->setName(state->lastName);
 | 
|---|
| 81 | 
 | 
|---|
| 82 |   return Action::failure;
 | 
|---|
| 83 | }
 | 
|---|
| 84 | 
 | 
|---|
| 85 | Action::state_ptr MoleculeVerletIntegrationAction::performRedo(Action::state_ptr _state){
 | 
|---|
| 86 |   // Undo and redo have to do the same for this action
 | 
|---|
| 87 |   return performUndo(_state);
 | 
|---|
| 88 | }
 | 
|---|
| 89 | 
 | 
|---|
| 90 | bool MoleculeVerletIntegrationAction::canUndo() {
 | 
|---|
| 91 |   return false;
 | 
|---|
| 92 | }
 | 
|---|
| 93 | 
 | 
|---|
| 94 | bool MoleculeVerletIntegrationAction::shouldUndo() {
 | 
|---|
| 95 |   return false;
 | 
|---|
| 96 | }
 | 
|---|
| 97 | 
 | 
|---|
| 98 | const string MoleculeVerletIntegrationAction::getName() {
 | 
|---|
| 99 |   return NAME;
 | 
|---|
| 100 | }
 | 
|---|