source: src/Actions/WorldAction/ScaleBoxAction.cpp@ 4217e7

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Last change on this file since 4217e7 was ad011c, checked in by Frederik Heber <heber@…>, 14 years ago

CodePatterns places all includes now in subfolder CodePatterns/.

  • change all includes accordingly.
  • this was necessary as Helpers and Patterns are not very distinctive names for include folders. Already now, we had a conflict between Helpers from CodePatterns and Helpers from this project.
  • changed compilation test in ax_codepatterns.m4 when changing CodePatterns includes.
  • Property mode set to 100644
File size: 2.2 KB
Line 
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 * ScaleBoxAction.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 "atom.hpp"
23#include "CodePatterns/Log.hpp"
24#include "LinearAlgebra/Vector.hpp"
25#include "CodePatterns/Verbose.hpp"
26#include "World.hpp"
27#include "Box.hpp"
28#include "LinearAlgebra/RealSpaceMatrix.hpp"
29
30#include <iostream>
31#include <string>
32
33using namespace std;
34
35#include "Actions/WorldAction/ScaleBoxAction.hpp"
36
37// and construct the stuff
38#include "ScaleBoxAction.def"
39#include "Action_impl_pre.hpp"
40/** =========== define the function ====================== */
41Action::state_ptr WorldScaleBoxAction::performCall() {
42 double x[NDIM];
43
44 // obtain information
45 getParametersfromValueStorage();
46
47 DoLog(1) && (Log() << Verbose(1) << "Scaling all atomic positions by factor." << endl);
48 for (int i=0;i<NDIM;i++)
49 x[i] = params.Scaler[i];
50 vector<atom*> AllAtoms = World::getInstance().getAllAtoms();
51 for(vector<atom*>::iterator AtomRunner = AllAtoms.begin(); AtomRunner != AllAtoms.end(); ++AtomRunner) {
52 (*AtomRunner)->ScaleAll(x);
53 }
54
55 RealSpaceMatrix M = World::getInstance().getDomain().getM();
56 RealSpaceMatrix scale;
57
58 for (int i=0;i<NDIM;i++) {
59 scale.at(i,i) = x[i];
60 }
61 M *= scale;
62 World::getInstance().setDomain(M);
63
64 return Action::success;
65}
66
67Action::state_ptr WorldScaleBoxAction::performUndo(Action::state_ptr _state) {
68// ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
69
70 return Action::failure;
71// string newName = state->mol->getName();
72// state->mol->setName(state->lastName);
73//
74// return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
75}
76
77Action::state_ptr WorldScaleBoxAction::performRedo(Action::state_ptr _state){
78 return Action::failure;
79}
80
81bool WorldScaleBoxAction::canUndo() {
82 return false;
83}
84
85bool WorldScaleBoxAction::shouldUndo() {
86 return false;
87}
88/** =========== end of function ====================== */
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