source: src/Actions/MoleculeAction/FillWithMoleculeAction.cpp@ 62680e

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Last change on this file since 62680e 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: 4.3 KB
Line 
1/*
2 * FillWithMoleculeAction.cpp
3 *
4 * Created on: May 10, 2010
5 * Author: heber
6 */
7
8#include "Actions/MoleculeAction/FillWithMoleculeAction.hpp"
9
10#include <iostream>
11#include <string>
12
13using namespace std;
14
15#include "UIElements/UIFactory.hpp"
16#include "UIElements/Dialog.hpp"
17#include "Actions/MapOfActions.hpp"
18
19#include "atom.hpp"
20#include "bondgraph.hpp"
21#include "boundary.hpp"
22#include "config.hpp"
23#include "defs.hpp"
24#include "molecule.hpp"
25#include "periodentafel.hpp"
26#include "vector.hpp"
27#include "verbose.hpp"
28#include "World.hpp"
29
30/****** MoleculeFillWithMoleculeAction *****/
31
32// memento to remember the state when undoing
33
34//class MoleculeFillWithMoleculeState : public ActionState {
35//public:
36// MoleculeFillWithMoleculeState(molecule* _mol,std::string _lastName) :
37// mol(_mol),
38// lastName(_lastName)
39// {}
40// molecule* mol;
41// std::string lastName;
42//};
43
44const char MoleculeFillWithMoleculeAction::NAME[] = "fill-molecule";
45
46MoleculeFillWithMoleculeAction::MoleculeFillWithMoleculeAction() :
47 Action(NAME)
48{}
49
50MoleculeFillWithMoleculeAction::~MoleculeFillWithMoleculeAction()
51{}
52
53Action::state_ptr MoleculeFillWithMoleculeAction::performCall() {
54 string filename;
55 Dialog *dialog = UIFactory::getInstance().makeDialog();
56 Vector distances;
57 Vector lengths;
58 double MaxDistance = -1.;
59 bool DoRotate = false;
60
61 dialog->queryString(NAME, &filename, MapOfActions::getInstance().getDescription(NAME));
62 dialog->queryVector("distances", &distances, World::getInstance().getDomain(), false, MapOfActions::getInstance().getDescription("distances"));
63 dialog->queryVector("lengths", &lengths, World::getInstance().getDomain(), false, MapOfActions::getInstance().getDescription("lengths"));
64 dialog->queryBoolean("DoRotate", &DoRotate, MapOfActions::getInstance().getDescription("DoRotate"));
65 dialog->queryDouble("MaxDistance", &MaxDistance, MapOfActions::getInstance().getDescription("MaxDistance"));
66
67 if(dialog->display()) {
68 // construct water molecule
69 molecule *filler = World::getInstance().createMolecule();
70// if (!filler->AddXYZFile(filename)) {
71// DoeLog(0) && (eLog()<< Verbose(0) << "Could not parse filler molecule from " << filename << "." << endl);
72// }
73// filler->SetNameFromFilename(filename);
74 molecule *Filling = NULL;
75 atom *first = NULL, *second = NULL, *third = NULL;
76 first = World::getInstance().createAtom();
77 first->type = World::getInstance().getPeriode()->FindElement(1);
78 first->x = Vector(0.441, -0.143, 0.);
79 filler->AddAtom(first);
80 second = World::getInstance().createAtom();
81 second->type = World::getInstance().getPeriode()->FindElement(1);
82 second->x = Vector(-0.464, 1.137, 0.0);
83 filler->AddAtom(second);
84 third = World::getInstance().createAtom();
85 third->type = World::getInstance().getPeriode()->FindElement(8);
86 third->x = Vector(-0.464, 0.177, 0.);
87 filler->AddAtom(third);
88 filler->AddBond(first, third, 1);
89 filler->AddBond(second, third, 1);
90 World::getInstance().getConfig()->BG->ConstructBondGraph(filler);
91 filler->SetNameFromFilename("water");
92 // call routine
93 double distance[NDIM];
94 for (int i=0;i<NDIM;i++)
95 distance[i] = distances[i];
96 Filling = FillBoxWithMolecule(World::getInstance().getMolecules(), filler, *(World::getInstance().getConfig()), MaxDistance, distance, lengths[0], lengths[1], lengths[2], DoRotate);
97 if (Filling != NULL) {
98 Filling->ActiveFlag = false;
99 World::getInstance().getMolecules()->insert(Filling);
100 }
101 World::getInstance().destroyMolecule(filler);
102
103 delete dialog;
104 return Action::success;
105 }
106 delete dialog;
107 return Action::failure;
108}
109
110Action::state_ptr MoleculeFillWithMoleculeAction::performUndo(Action::state_ptr _state) {
111// MoleculeFillWithMoleculeState *state = assert_cast<MoleculeFillWithMoleculeState*>(_state.get());
112
113// string newName = state->mol->getName();
114// state->mol->setName(state->lastName);
115
116 return Action::failure;
117}
118
119Action::state_ptr MoleculeFillWithMoleculeAction::performRedo(Action::state_ptr _state){
120 // Undo and redo have to do the same for this action
121 return performUndo(_state);
122}
123
124bool MoleculeFillWithMoleculeAction::canUndo() {
125 return false;
126}
127
128bool MoleculeFillWithMoleculeAction::shouldUndo() {
129 return false;
130}
131
132const string MoleculeFillWithMoleculeAction::getName() {
133 return NAME;
134}
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