source: src/Actions/MoleculeAction/SaveAdjacencyAction.cpp@ 35b698

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Last change on this file since 35b698 was 35b698, checked in by Frederik Heber <heber@…>, 15 years ago

BIG CHANGE: config::load and config::save in ParseCommandLineOptions() and main() replaced with FormatParser replacements.

Fragmentation:

  • FIX: MoleculeFillWithMoleculeAction: filler atoms have to be removed before the system can be stored to file.
  • FIX: PcpParser::load() - has to put the molecule also into World's MoleculeListClass (otherwise the name cannot be set right after loading)
  • new Libparser.a
  • all sources from PARSER subdir are compiled into libparser such that only ParserUnitTest is recompiled.

Testfixes:

  • testsuite-fragmentation - changes to due to different -f calling syntax.
  • most of the xyz files had to be replaced due to a single whitespace at the end of each entry: Domain/6, Simple_configuration/2, Simple_configuration/3, Simple_configuration/4, Simple_configuration/5, Simple_configuration/8
  • in many cases were the number orbitals (and thus MaxMinStopStep) wrong: Filling/1, Simple_configuration/4, Simple_configuration/5

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

  • Property mode set to 100644
File size: 2.5 KB
Line 
1/*
2 * SaveAdjacencyAction.cpp
3 *
4 * Created on: May 10, 2010
5 * Author: heber
6 */
7
8#include "Helpers/MemDebug.hpp"
9
10#include "Actions/MoleculeAction/SaveAdjacencyAction.hpp"
11
12#include <iostream>
13#include <fstream>
14#include <string>
15
16using 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 "bondgraph.hpp"
24#include "config.hpp"
25#include "defs.hpp"
26#include "log.hpp"
27#include "molecule.hpp"
28#include "vector.hpp"
29#include "verbose.hpp"
30#include "World.hpp"
31
32/****** MoleculeSaveAdjacencyAction *****/
33
34// memento to remember the state when undoing
35
36//class MoleculeSaveAdjacencyState : public ActionState {
37//public:
38// MoleculeSaveAdjacencyState(molecule* _mol,std::string _lastName) :
39// mol(_mol),
40// lastName(_lastName)
41// {}
42// molecule* mol;
43// std::string lastName;
44//};
45
46const char MoleculeSaveAdjacencyAction::NAME[] = "save-adjacency";
47
48MoleculeSaveAdjacencyAction::MoleculeSaveAdjacencyAction() :
49 Action(NAME)
50{}
51
52MoleculeSaveAdjacencyAction::~MoleculeSaveAdjacencyAction()
53{}
54
55Action::state_ptr MoleculeSaveAdjacencyAction::performCall() {
56 string filename;
57 Dialog *dialog = UIFactory::getInstance().makeDialog();
58 molecule *mol = NULL;
59
60 dialog->queryString(NAME, &filename, MapOfActions::getInstance().getDescription(NAME));
61 dialog->queryMolecule("molecule-by-id", &mol, MapOfActions::getInstance().getDescription("molecule-by-id"));
62
63 if(dialog->display()) {
64 DoLog(0) && (Log() << Verbose(0) << "Storing adjacency to path " << filename << "." << endl);
65 World::getInstance().getConfig()->BG->ConstructBondGraph(mol);
66 // TODO: sollte stream nicht filename benutzen, besser fuer unit test
67 mol->StoreAdjacencyToFile(filename);
68 delete dialog;
69 return Action::success;
70 }
71 delete dialog;
72 return Action::failure;
73}
74
75Action::state_ptr MoleculeSaveAdjacencyAction::performUndo(Action::state_ptr _state) {
76// MoleculeSaveAdjacencyState *state = assert_cast<MoleculeSaveAdjacencyState*>(_state.get());
77
78// string newName = state->mol->getName();
79// state->mol->setName(state->lastName);
80
81 return Action::failure;
82}
83
84Action::state_ptr MoleculeSaveAdjacencyAction::performRedo(Action::state_ptr _state){
85 // Undo and redo have to do the same for this action
86 return performUndo(_state);
87}
88
89bool MoleculeSaveAdjacencyAction::canUndo() {
90 return false;
91}
92
93bool MoleculeSaveAdjacencyAction::shouldUndo() {
94 return false;
95}
96
97const string MoleculeSaveAdjacencyAction::getName() {
98 return NAME;
99}
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