| [bcf653] | 1 | /*
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 | 2 |  * Project: MoleCuilder
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 | 3 |  * Description: creates and alters molecular systems
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 | 4 |  * Copyright (C)  2010 University of Bonn. All rights reserved.
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 | 5 |  * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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 | 6 |  */
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 | 7 | 
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| [97ebf8] | 8 | /*
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 | 9 |  * CenterOnEdgeAction.cpp
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 | 10 |  *
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 | 11 |  *  Created on: May 8, 2010
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 | 12 |  *      Author: heber
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 | 13 |  */
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 | 14 | 
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| [bf3817] | 15 | // include config.h
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 | 16 | #ifdef HAVE_CONFIG_H
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 | 17 | #include <config.h>
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 | 18 | #endif
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 | 19 | 
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| [112b09] | 20 | #include "Helpers/MemDebug.hpp"
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 | 21 | 
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| [97ebf8] | 22 | #include "Actions/WorldAction/CenterOnEdgeAction.hpp"
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| [0430e3] | 23 | #include "Actions/ActionRegistry.hpp"
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| [97ebf8] | 24 | #include "atom.hpp"
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| [952f38] | 25 | #include "Helpers/Log.hpp"
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| [57f243] | 26 | #include "LinearAlgebra/Vector.hpp"
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| [97ebf8] | 27 | #include "World.hpp"
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| [57f243] | 28 | #include "LinearAlgebra/Matrix.hpp"
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| [97ebf8] | 29 | 
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 | 30 | #include <iostream>
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 | 31 | #include <string>
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 | 32 | 
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 | 33 | using namespace std;
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 | 34 | 
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 | 35 | #include "UIElements/UIFactory.hpp"
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 | 36 | #include "UIElements/Dialog.hpp"
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| [861874] | 37 | #include "Actions/ValueStorage.hpp"
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| [97ebf8] | 38 | #include "Helpers/Assert.hpp"
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 | 39 | 
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 | 40 | const char WorldCenterOnEdgeAction::NAME[] = "center-edge";
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 | 41 | 
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 | 42 | WorldCenterOnEdgeAction::WorldCenterOnEdgeAction() :
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 | 43 |   Action(NAME)
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 | 44 | {}
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 | 45 | 
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 | 46 | WorldCenterOnEdgeAction::~WorldCenterOnEdgeAction()
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 | 47 | {}
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 | 48 | 
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| [a8f6ae] | 49 | void WorldCenterOnEdge() {
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 | 50 |   ActionRegistry::getInstance().getActionByName(WorldCenterOnEdgeAction::NAME)->call(Action::NonInteractive);
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 | 51 | };
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 | 52 | 
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| [047878] | 53 | Dialog* WorldCenterOnEdgeAction::fillDialog(Dialog *dialog) {
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 | 54 |   ASSERT(dialog,"No Dialog given when filling action dialog");
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| [1ba67d] | 55 | 
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 | 56 |   dialog->queryEmpty(NAME, ValueStorage::getInstance().getDescription(NAME));
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 | 57 | 
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 | 58 |   return dialog;
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 | 59 | }
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 | 60 | 
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 | 61 | Action::state_ptr WorldCenterOnEdgeAction::performCall() {
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| [97ebf8] | 62 |   Vector Min;
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 | 63 |   Vector Max;
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 | 64 | 
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| [1ba67d] | 65 |   // get maximum and minimum
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 | 66 |   vector<atom *> AllAtoms = World::getInstance().getAllAtoms();
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 | 67 |   ASSERT(AllAtoms.size() > 0, "For CenteronEdge atoms must be present.");
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 | 68 |   vector<atom *>::iterator AtomRunner = AllAtoms.begin();
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| [d74077] | 69 |   Min = (*AtomRunner)->getPosition();
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 | 70 |   Max = (*AtomRunner)->getPosition();
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| [1ba67d] | 71 |   for (; AtomRunner != AllAtoms.end(); ++AtomRunner) {
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| [97ebf8] | 72 |     for (int i=0;i<NDIM;i++) {
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| [d74077] | 73 |       if ((*AtomRunner)->at(i) > Max[i])
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 | 74 |         Max[i] = (*AtomRunner)->at(i);
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 | 75 |       if ((*AtomRunner)->at(i) < Min[i])
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 | 76 |         Min[i] = (*AtomRunner)->at(i);
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| [97ebf8] | 77 |     }
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 | 78 |   }
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| [1ba67d] | 79 |   // set new box size
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 | 80 |   Matrix domain;
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 | 81 |   for (int i=0;i<NDIM;i++) {
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 | 82 |     double tmp = Max[i]-Min[i];
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 | 83 |     tmp = fabs(tmp)>=1. ? tmp : 1.0;
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 | 84 |     domain.at(i,i) = tmp;
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 | 85 |   }
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 | 86 |   World::getInstance().setDomain(domain);
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 | 87 |   // translate all atoms, such that Min is aty (0,0,0)
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 | 88 |   for (vector<atom*>::iterator AtomRunner = AllAtoms.begin(); AtomRunner != AllAtoms.end(); ++AtomRunner)
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| [d74077] | 89 |     *(*AtomRunner) -= Min;
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| [1ba67d] | 90 | 
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 | 91 |   return Action::success;
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| [97ebf8] | 92 | }
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 | 93 | 
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 | 94 | Action::state_ptr WorldCenterOnEdgeAction::performUndo(Action::state_ptr _state) {
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 | 95 | //  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
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 | 96 | 
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 | 97 |   return Action::failure;
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 | 98 | //  string newName = state->mol->getName();
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 | 99 | //  state->mol->setName(state->lastName);
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 | 100 | //
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 | 101 | //  return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
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 | 102 | }
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 | 103 | 
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 | 104 | Action::state_ptr WorldCenterOnEdgeAction::performRedo(Action::state_ptr _state){
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 | 105 |   return Action::failure;
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 | 106 | }
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 | 107 | 
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 | 108 | bool WorldCenterOnEdgeAction::canUndo() {
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 | 109 |   return false;
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 | 110 | }
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 | 111 | 
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 | 112 | bool WorldCenterOnEdgeAction::shouldUndo() {
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 | 113 |   return false;
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 | 114 | }
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 | 115 | 
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 | 116 | const string WorldCenterOnEdgeAction::getName() {
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 | 117 |   return NAME;
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 | 118 | }
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