source: src/Actions/ParserAction/SetMpqcParametersAction.cpp@ 81c980b

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Last change on this file since 81c980b was 963321a, checked in by Frederik Heber <heber@…>, 14 years ago

Converted SetGaussianBasisAction into SetMpqcParametersAction.

  • new actions does not only allow to set basis, but most of the other parameters, too.
  • regression test Parser/Mpqc-SetBasis -> Mpqc-SetParameters and extended.
  • operator<< needed an ugly const hack to avoid doubling the function.
  • Property mode set to 100644
File size: 2.3 KB
RevLine 
[963321a]1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * SetMpqcParametersAction.cpp
10 *
11 * Created on: May 8, 2010
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "CodePatterns/MemDebug.hpp"
21
22#include "CodePatterns/Log.hpp"
23#include "CodePatterns/Verbose.hpp"
24#include "Parser/FormatParserStorage.hpp"
25#include "Parser/MpqcParser.hpp"
26#include "Parser/MpqcParser_Parameters.hpp"
27
28#include <iostream>
29#include <string>
30
31using namespace std;
32
33#include "SetMpqcParametersAction.hpp"
34
35// and construct the stuff
36#include "SetMpqcParametersAction.def"
37#include "Action_impl_pre.hpp"
38/** =========== define the function ====================== */
39Action::state_ptr ParserSetMpqcParametersAction::performCall() {
40 MpqcParser_Parameters &mpqc = FormatParserStorage::getInstance().getMpqc().getParams();
41
42 std::stringstream oldparamstream;
43 oldparamstream << mpqc;
44 // obtain information
45 getParametersfromValueStorage();
46 std::stringstream newparamstream(params.newparams);
47 newparamstream >> mpqc;
48
49 return Action::state_ptr(new ParserSetMpqcParametersState(oldparamstream.str(), params));
50}
51
52Action::state_ptr ParserSetMpqcParametersAction::performUndo(Action::state_ptr _state) {
53 ParserSetMpqcParametersState *state = assert_cast<ParserSetMpqcParametersState*>(_state.get());
54
55 MpqcParser_Parameters &mpqc = FormatParserStorage::getInstance().getMpqc().getParams();
56 std::stringstream oldparamstream(state->oldparams);
57 oldparamstream >> mpqc;
58
59 return Action::state_ptr(_state);
60}
61
62Action::state_ptr ParserSetMpqcParametersAction::performRedo(Action::state_ptr _state){
63 ParserSetMpqcParametersState *state = assert_cast<ParserSetMpqcParametersState*>(_state.get());
64
65 MpqcParser_Parameters &mpqc = FormatParserStorage::getInstance().getMpqc().getParams();
66 std::stringstream newparamstream(state->params.newparams);
67 newparamstream >> mpqc;
68
69 return Action::state_ptr(_state);
70}
71
72bool ParserSetMpqcParametersAction::canUndo() {
73 return true;
74}
75
76bool ParserSetMpqcParametersAction::shouldUndo() {
77 return true;
78}
79/** =========== end of function ====================== */
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