source: src/Actions/WorldAction/CenterOnEdgeAction.cpp@ c27778

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Last change on this file since c27778 was b9c847, checked in by Frederik Heber <heber@…>, 15 years ago

New SetOutputFormatsAction introduced.

Fixes:

new SetOutputFormatsAction:

  • new action SetOutputFormatsAction which instantiates various specializations of FormatParser in FormatParserStorage.
  • main(): mpqc, pcp and xyz and no more added by default to FormatParserStorage, this now has to be done by specifying them (e.g. on the command line as -o pcp mpqc xyz)
  • TESTFIXES: case 10,11,13,16,17,22 all failed due to the missing -o specification which has been added (this has been intended in this way from the very beginning of the ParseCommandLineOptions() refactoring)
  • action "convex-envelope" now more has ShortForm "-o" due to obvious reasons.
  • Property mode set to 100644
File size: 2.6 KB
Line 
1/*
2 * CenterOnEdgeAction.cpp
3 *
4 * Created on: May 8, 2010
5 * Author: heber
6 */
7
8#include "Helpers/MemDebug.hpp"
9
10#include "Actions/WorldAction/CenterOnEdgeAction.hpp"
11#include "atom.hpp"
12#include "log.hpp"
13#include "vector.hpp"
14#include "World.hpp"
15
16#include <iostream>
17#include <string>
18
19using namespace std;
20
21#include "UIElements/UIFactory.hpp"
22#include "UIElements/Dialog.hpp"
23#include "Actions/MapOfActions.hpp"
24#include "Helpers/Assert.hpp"
25
26const char WorldCenterOnEdgeAction::NAME[] = "center-edge";
27
28WorldCenterOnEdgeAction::WorldCenterOnEdgeAction() :
29 Action(NAME)
30{}
31
32WorldCenterOnEdgeAction::~WorldCenterOnEdgeAction()
33{}
34
35Action::state_ptr WorldCenterOnEdgeAction::performCall() {
36 Dialog *dialog = UIFactory::getInstance().makeDialog();
37 Vector Min;
38 Vector Max;
39 int j=0;
40
41 dialog->queryEmpty(NAME, MapOfActions::getInstance().getDescription(NAME));
42
43 if(dialog->display()) {
44 // get maximum and minimum
45 vector<atom *> AllAtoms = World::getInstance().getAllAtoms();
46 ASSERT(AllAtoms.size() > 0, "For CenteronEdge atoms must be present.");
47 vector<atom *>::iterator AtomRunner = AllAtoms.begin();
48 Min = (*AtomRunner)->x;
49 Max = (*AtomRunner)->x;
50 for (; AtomRunner != AllAtoms.end(); ++AtomRunner) {
51 for (int i=0;i<NDIM;i++) {
52 if ((*AtomRunner)->x[i] > Max[i])
53 Max[i] = (*AtomRunner)->x[i];
54 if ((*AtomRunner)->x[i] < Min[i])
55 Min[i] = (*AtomRunner)->x[i];
56 }
57 }
58 // set new box size
59 double * const cell_size = World::getInstance().getDomain();
60 for (j=0;j<6;j++)
61 cell_size[j] = 0.;
62 j=-1;
63 for (int i=0;i<NDIM;i++) {
64 j += i+1;
65 cell_size[j] = (Max[i]-Min[i]);
66 }
67 World::getInstance().setDomain(cell_size);
68 // translate all atoms, such that Min is aty (0,0,0)
69 for (vector<atom*>::iterator AtomRunner = AllAtoms.begin(); AtomRunner != AllAtoms.end(); ++AtomRunner)
70 (*AtomRunner)->x -= Min;
71 delete dialog;
72 return Action::success;
73 } else {
74 delete dialog;
75 return Action::failure;
76 }
77}
78
79Action::state_ptr WorldCenterOnEdgeAction::performUndo(Action::state_ptr _state) {
80// ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
81
82 return Action::failure;
83// string newName = state->mol->getName();
84// state->mol->setName(state->lastName);
85//
86// return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
87}
88
89Action::state_ptr WorldCenterOnEdgeAction::performRedo(Action::state_ptr _state){
90 return Action::failure;
91}
92
93bool WorldCenterOnEdgeAction::canUndo() {
94 return false;
95}
96
97bool WorldCenterOnEdgeAction::shouldUndo() {
98 return false;
99}
100
101const string WorldCenterOnEdgeAction::getName() {
102 return NAME;
103}
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