1 | /*
|
---|
2 | * LinearInterpolationofTrajectoriesAction.cpp
|
---|
3 | *
|
---|
4 | * Created on: May 10, 2010
|
---|
5 | * Author: heber
|
---|
6 | */
|
---|
7 |
|
---|
8 | #include "Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp"
|
---|
9 |
|
---|
10 | #include <iostream>
|
---|
11 | #include <fstream>
|
---|
12 | #include <string>
|
---|
13 |
|
---|
14 | using namespace std;
|
---|
15 |
|
---|
16 | #include "UIElements/UIFactory.hpp"
|
---|
17 | #include "UIElements/Dialog.hpp"
|
---|
18 | #include "Actions/MapOfActions.hpp"
|
---|
19 |
|
---|
20 | #include "atom.hpp"
|
---|
21 | #include "defs.hpp"
|
---|
22 | #include "log.hpp"
|
---|
23 | #include "molecule.hpp"
|
---|
24 | #include "verbose.hpp"
|
---|
25 | #include "World.hpp"
|
---|
26 |
|
---|
27 | /****** MoleculeLinearInterpolationofTrajectoriesAction *****/
|
---|
28 |
|
---|
29 | // memento to remember the state when undoing
|
---|
30 |
|
---|
31 | //class MoleculeLinearInterpolationofTrajectoriesState : public ActionState {
|
---|
32 | //public:
|
---|
33 | // MoleculeLinearInterpolationofTrajectoriesState(molecule* _mol,std::string _lastName) :
|
---|
34 | // mol(_mol),
|
---|
35 | // lastName(_lastName)
|
---|
36 | // {}
|
---|
37 | // molecule* mol;
|
---|
38 | // std::string lastName;
|
---|
39 | //};
|
---|
40 |
|
---|
41 | const char MoleculeLinearInterpolationofTrajectoriesAction::NAME[] = "linear-interpolate";
|
---|
42 |
|
---|
43 | MoleculeLinearInterpolationofTrajectoriesAction::MoleculeLinearInterpolationofTrajectoriesAction() :
|
---|
44 | Action(NAME)
|
---|
45 | {}
|
---|
46 |
|
---|
47 | MoleculeLinearInterpolationofTrajectoriesAction::~MoleculeLinearInterpolationofTrajectoriesAction()
|
---|
48 | {}
|
---|
49 |
|
---|
50 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performCall() {
|
---|
51 | string filename;
|
---|
52 | Dialog *dialog = UIFactory::getInstance().makeDialog();
|
---|
53 | molecule *mol = NULL;
|
---|
54 | int start = -1;
|
---|
55 | int end = -1;
|
---|
56 | bool IdMapping = true;
|
---|
57 |
|
---|
58 |
|
---|
59 | dialog->queryString(NAME, &filename, MapOfActions::getInstance().getDescription(NAME));
|
---|
60 | dialog->queryInt("start-mol", &start, MapOfActions::getInstance().getDescription("start"));
|
---|
61 | dialog->queryInt("end-mol", &start, MapOfActions::getInstance().getDescription("end"));
|
---|
62 | dialog->queryMolecule("molecule-by-id", &mol, MapOfActions::getInstance().getDescription("molecule-by-id"));
|
---|
63 | dialog->queryBoolean("id-mapping", &IdMapping, MapOfActions::getInstance().getDescription("id-mapping"));
|
---|
64 |
|
---|
65 | if(dialog->display()) {
|
---|
66 | DoLog(1) && (Log() << Verbose(1) << "Linear interpolation between configuration " << start << " and " << end << "." << endl);
|
---|
67 | if (IdMapping)
|
---|
68 | DoLog(1) && (Log() << Verbose(1) << "Using Identity for the permutation map." << endl);
|
---|
69 | char outputname[MAXSTRINGSIZE];
|
---|
70 | strcpy(outputname, filename.c_str());
|
---|
71 | // TODO: LinearInterpolationBetweenConfiguration should use stream, not the filename directly! (better for unit test)
|
---|
72 | if (!mol->LinearInterpolationBetweenConfiguration(start, end, outputname, *(World::getInstance().getConfig()), IdMapping))
|
---|
73 | DoLog(2) && (Log() << Verbose(2) << "Could not store " << outputname << " files." << endl);
|
---|
74 | else
|
---|
75 | DoLog(2) && (Log() << Verbose(2) << "Steps created and " << filename << " files stored." << endl);
|
---|
76 | delete dialog;
|
---|
77 | return Action::success;
|
---|
78 | }
|
---|
79 | delete dialog;
|
---|
80 | return Action::failure;
|
---|
81 | }
|
---|
82 |
|
---|
83 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performUndo(Action::state_ptr _state) {
|
---|
84 | // MoleculeLinearInterpolationofTrajectoriesState *state = assert_cast<MoleculeLinearInterpolationofTrajectoriesState*>(_state.get());
|
---|
85 |
|
---|
86 | // string newName = state->mol->getName();
|
---|
87 | // state->mol->setName(state->lastName);
|
---|
88 |
|
---|
89 | return Action::failure;
|
---|
90 | }
|
---|
91 |
|
---|
92 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performRedo(Action::state_ptr _state){
|
---|
93 | // Undo and redo have to do the same for this action
|
---|
94 | return performUndo(_state);
|
---|
95 | }
|
---|
96 |
|
---|
97 | bool MoleculeLinearInterpolationofTrajectoriesAction::canUndo() {
|
---|
98 | return false;
|
---|
99 | }
|
---|
100 |
|
---|
101 | bool MoleculeLinearInterpolationofTrajectoriesAction::shouldUndo() {
|
---|
102 | return false;
|
---|
103 | }
|
---|
104 |
|
---|
105 | const string MoleculeLinearInterpolationofTrajectoriesAction::getName() {
|
---|
106 | return NAME;
|
---|
107 | }
|
---|