[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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[0b2ce9] | 53 | void WorldCenterOnEdgeAction::getParametersfromValueStorage()
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| 54 | {};
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| 55 |
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[047878] | 56 | Dialog* WorldCenterOnEdgeAction::fillDialog(Dialog *dialog) {
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| 57 | ASSERT(dialog,"No Dialog given when filling action dialog");
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[1ba67d] | 58 |
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| 59 | dialog->queryEmpty(NAME, ValueStorage::getInstance().getDescription(NAME));
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| 60 |
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| 61 | return dialog;
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| 62 | }
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| 63 |
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| 64 | Action::state_ptr WorldCenterOnEdgeAction::performCall() {
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[97ebf8] | 65 | Vector Min;
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| 66 | Vector Max;
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| 67 |
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[1ba67d] | 68 | // get maximum and minimum
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| 69 | vector<atom *> AllAtoms = World::getInstance().getAllAtoms();
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| 70 | ASSERT(AllAtoms.size() > 0, "For CenteronEdge atoms must be present.");
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| 71 | vector<atom *>::iterator AtomRunner = AllAtoms.begin();
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[d74077] | 72 | Min = (*AtomRunner)->getPosition();
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| 73 | Max = (*AtomRunner)->getPosition();
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[1ba67d] | 74 | for (; AtomRunner != AllAtoms.end(); ++AtomRunner) {
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[97ebf8] | 75 | for (int i=0;i<NDIM;i++) {
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[d74077] | 76 | if ((*AtomRunner)->at(i) > Max[i])
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| 77 | Max[i] = (*AtomRunner)->at(i);
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| 78 | if ((*AtomRunner)->at(i) < Min[i])
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| 79 | Min[i] = (*AtomRunner)->at(i);
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[97ebf8] | 80 | }
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| 81 | }
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[1ba67d] | 82 | // set new box size
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| 83 | Matrix domain;
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| 84 | for (int i=0;i<NDIM;i++) {
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| 85 | double tmp = Max[i]-Min[i];
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| 86 | tmp = fabs(tmp)>=1. ? tmp : 1.0;
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| 87 | domain.at(i,i) = tmp;
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| 88 | }
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| 89 | World::getInstance().setDomain(domain);
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| 90 | // translate all atoms, such that Min is aty (0,0,0)
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| 91 | for (vector<atom*>::iterator AtomRunner = AllAtoms.begin(); AtomRunner != AllAtoms.end(); ++AtomRunner)
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[d74077] | 92 | *(*AtomRunner) -= Min;
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[1ba67d] | 93 |
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| 94 | return Action::success;
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[97ebf8] | 95 | }
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| 96 |
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| 97 | Action::state_ptr WorldCenterOnEdgeAction::performUndo(Action::state_ptr _state) {
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| 98 | // ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
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| 99 |
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| 100 | return Action::failure;
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| 101 | // string newName = state->mol->getName();
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| 102 | // state->mol->setName(state->lastName);
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| 103 | //
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| 104 | // return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
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| 105 | }
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| 106 |
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| 107 | Action::state_ptr WorldCenterOnEdgeAction::performRedo(Action::state_ptr _state){
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| 108 | return Action::failure;
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| 109 | }
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| 110 |
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| 111 | bool WorldCenterOnEdgeAction::canUndo() {
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| 112 | return false;
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| 113 | }
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| 114 |
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| 115 | bool WorldCenterOnEdgeAction::shouldUndo() {
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| 116 | return false;
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| 117 | }
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| 118 |
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| 119 | const string WorldCenterOnEdgeAction::getName() {
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| 120 | return NAME;
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| 121 | }
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