source: src/Actions/GeometryAction/GeometryInputToVectorAction.cpp@ 3c9ac3

Action_Thermostats Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision
Last change on this file since 3c9ac3 was 987145, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Added four GeometryActions to convert atom positions into vectors.

  • added reverse switch to distance and plane to vector Actions.
  • InputToVector has coordinates to differentiate from position option. This eases use with CommandLineParser where option names need to be unique.
  • Property mode set to 100644
File size: 2.8 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2017 Frederik Heber. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * GeometryInputToVectorAction.cpp
25 *
26 * Created on: Mar 28, 2017
27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35//#include "CodePatterns/MemDebug.hpp"
36
37#include "CodePatterns/Log.hpp"
38
39#include <string>
40
41#include "Geometry/GeometryObject.hpp"
42#include "Geometry/GeometryRegistry.hpp"
43
44#include "Actions/GeometryAction/GeometryInputToVectorAction.hpp"
45
46using namespace MoleCuilder;
47
48// and construct the stuff
49#include "../GeometryAction/GeometryInputToVectorAction.def"
50#include "Action_impl_pre.hpp"
51/** =========== define the function ====================== */
52ActionState::ptr GeometryInputToVectorAction::performCall() {
53 // check preconditions
54 if (GeometryRegistry::getInstance().isPresentByName(params.name.get())) {
55 STATUS("Name "+params.name.get()+" already present in registry.");
56 return Action::failure;
57 }
58
59 const GeometryObject vec(params.vec.get(), params.name.get());
60 LOG(4, "DEBUG: Adding geometry object " << vec << " with norm " << params.vec.get().Norm());
61 GeometryRegistry::getInstance().addGeometry(vec);
62
63 return Action::success;
64}
65
66ActionState::ptr GeometryInputToVectorAction::performUndo(ActionState::ptr _state) {
67// GeometryInputToVectorState *state = assert_cast<GeometryInputToVectorState*>(_state.get());
68
69 GeometryRegistry::getInstance().removeGeometry(params.name.get());
70
71 return Action::success;
72}
73
74ActionState::ptr GeometryInputToVectorAction::performRedo(ActionState::ptr _state){
75// GeometryInputToVectorState *state = assert_cast<GeometryInputToVectorState*>(_state.get());
76
77 const GeometryObject vec(params.vec.get(), params.name.get());
78 LOG(4, "DEBUG: Adding geometry object " << vec);
79 GeometryRegistry::getInstance().addGeometry(vec);
80
81 return Action::success;
82}
83
84bool GeometryInputToVectorAction::canUndo() {
85 return true;
86}
87
88bool GeometryInputToVectorAction::shouldUndo() {
89 return true;
90}
91/** =========== end of function ====================== */
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