source: src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp@ cd5047

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Last change on this file since cd5047 was 97ebf8, checked in by Frederik Heber <heber@…>, 15 years ago

Added all commands defined in ParseCommandLineOptions() as Actions.

  • Actions are not yet used, except verbose, version and help.
  • Files are present and included in Makefile.am
  • not unit tests written so far
  • no action has been tested so far (except for MapOfActions)
  • structure introduced to to transition from ParseCommandLineOptions to actions.
  • program name and config file are fixed arguments.

Signed-off-by: Frederik Heber <heber@…>

  • Property mode set to 100644
File size: 3.6 KB
Line 
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
14using 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
41const char MoleculeLinearInterpolationofTrajectoriesAction::NAME[] = "linear-interpolate";
42
43MoleculeLinearInterpolationofTrajectoriesAction::MoleculeLinearInterpolationofTrajectoriesAction() :
44 Action(NAME)
45{}
46
47MoleculeLinearInterpolationofTrajectoriesAction::~MoleculeLinearInterpolationofTrajectoriesAction()
48{}
49
50Action::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
83Action::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
92Action::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
97bool MoleculeLinearInterpolationofTrajectoriesAction::canUndo() {
98 return false;
99}
100
101bool MoleculeLinearInterpolationofTrajectoriesAction::shouldUndo() {
102 return false;
103}
104
105const string MoleculeLinearInterpolationofTrajectoriesAction::getName() {
106 return NAME;
107}
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