source: src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp

Candidate_v1.6.1
Last change on this file was 9eb71b3, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Commented out MemDebug include and Memory::ignore.

  • MemDebug clashes with various allocation operators that use a specific placement in memory. It is so far not possible to wrap new/delete fully. Hence, we stop this effort which so far has forced us to put ever more includes (with clashes) into MemDebug and thereby bloat compilation time.
  • MemDebug does not add that much usefulness which is not also provided by valgrind.
  • Property mode set to 100644
File size: 3.2 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. 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 * LinearInterpolationofTrajectoriesAction.cpp
25 *
26 * Created on: May 10, 2010
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 "Atom/atom.hpp"
38#include "Helpers/defs.hpp"
39#include "CodePatterns/Assert.hpp"
40#include "CodePatterns/Log.hpp"
41#include "CodePatterns/Verbose.hpp"
42#include "Dynamics/LinearInterpolationBetweenSteps.hpp"
43#include "molecule.hpp"
44#include "World.hpp"
45
46#include <vector>
47#include <iostream>
48#include <fstream>
49#include <string>
50
51#include "Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp"
52
53using namespace MoleCuilder;
54
55// and construct the stuff
56#include "LinearInterpolationofTrajectoriesAction.def"
57#include "Action_impl_pre.hpp"
58/** =========== define the function ====================== */
59ActionState::ptr MoleculeLinearInterpolationofTrajectoriesAction::performCall() {
60 LOG(0, "STATUS: Linear interpolation between configuration " << params.start.get() << " and " << params.end.get() << "." << endl);
61 ASSERT(params.end.get() > params.start.get(), "MoleculeLinearInterpolationofTrajectoriesAction() - start step greater than end step.");
62 AtomSetMixin<std::vector<atom*> > set(World::getInstance().getSelectedAtoms());
63 LinearInterpolationBetweenSteps<std::vector<atom*> > LinearInterpolate(set,(unsigned int)(params.interpolation_steps.get()));
64 LinearInterpolate(params.start.get(), params.end.get(), params.IdMapping.get());
65 LOG(0, "STATUS: done." << endl);
66
67 return Action::success;
68}
69
70ActionState::ptr MoleculeLinearInterpolationofTrajectoriesAction::performUndo(ActionState::ptr _state) {
71// MoleculeLinearInterpolationofTrajectoriesState *state = assert_cast<MoleculeLinearInterpolationofTrajectoriesState*>(_state.get());
72
73// string newName = state->mol->getName();
74// state->mol->setName(state->lastName);
75
76 STATUS("Undo of MoleculeLinearInterpolationofTrajectoriesAction not implemented.");
77 return Action::failure;
78}
79
80ActionState::ptr MoleculeLinearInterpolationofTrajectoriesAction::performRedo(ActionState::ptr _state){
81 // Undo and redo have to do the same for this action
82 return performUndo(_state);
83}
84
85bool MoleculeLinearInterpolationofTrajectoriesAction::canUndo() {
86 return false;
87}
88
89bool MoleculeLinearInterpolationofTrajectoriesAction::shouldUndo() {
90 return false;
91}
92/** =========== end of function ====================== */
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