| 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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| 8 | /*
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| 9 | * ScaleBoxAction.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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| 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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| 20 | #include "Helpers/MemDebug.hpp"
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| 21 |
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| 22 | #include "atom.hpp"
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| 23 | #include "Helpers/Log.hpp"
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| 24 | #include "LinearAlgebra/Vector.hpp"
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| 25 | #include "Helpers/Verbose.hpp"
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| 26 | #include "World.hpp"
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| 27 | #include "Box.hpp"
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| 28 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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| 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 "Actions/WorldAction/ScaleBoxAction.hpp"
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| 36 |
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| 37 | // and construct the stuff
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| 38 | #include "ScaleBoxAction.def"
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| 39 | #include "Action_impl_pre.hpp"
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| 40 | /** =========== define the function ====================== */
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| 41 | Action::state_ptr WorldScaleBoxAction::performCall() {
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| 42 | double x[NDIM];
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| 43 |
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| 44 | // obtain information
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| 45 | getParametersfromValueStorage();
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| 46 |
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| 47 | DoLog(1) && (Log() << Verbose(1) << "Scaling all atomic positions by factor." << endl);
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| 48 | for (int i=0;i<NDIM;i++)
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| 49 | x[i] = params.Scaler[i];
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| 50 | vector<atom*> AllAtoms = World::getInstance().getAllAtoms();
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| 51 | for(vector<atom*>::iterator AtomRunner = AllAtoms.begin(); AtomRunner != AllAtoms.end(); ++AtomRunner) {
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| 52 | (*AtomRunner)->ScaleAll(x);
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| 53 | }
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| 54 |
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| 55 | RealSpaceMatrix M = World::getInstance().getDomain().getM();
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| 56 | RealSpaceMatrix scale;
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| 57 |
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| 58 | for (int i=0;i<NDIM;i++) {
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| 59 | scale.at(i,i) = x[i];
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| 60 | }
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| 61 | M *= scale;
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| 62 | World::getInstance().setDomain(M);
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| 63 |
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| 64 | return Action::success;
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| 65 | }
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| 66 |
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| 67 | Action::state_ptr WorldScaleBoxAction::performUndo(Action::state_ptr _state) {
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| 68 | // ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
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| 69 |
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| 70 | return Action::failure;
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| 71 | // string newName = state->mol->getName();
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| 72 | // state->mol->setName(state->lastName);
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| 73 | //
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| 74 | // return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
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| 75 | }
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| 76 |
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| 77 | Action::state_ptr WorldScaleBoxAction::performRedo(Action::state_ptr _state){
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| 78 | return Action::failure;
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| 79 | }
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| 80 |
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| 81 | bool WorldScaleBoxAction::canUndo() {
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| 82 | return false;
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| 83 | }
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| 84 |
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| 85 | bool WorldScaleBoxAction::shouldUndo() {
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| 86 | return false;
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| 87 | }
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| 88 | /** =========== end of function ====================== */
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