| [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 |  * 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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| [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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| [ad011c] | 20 | #include "CodePatterns/MemDebug.hpp"
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| [112b09] | 21 | 
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| [97ebf8] | 22 | #include "atom.hpp"
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| [ad011c] | 23 | #include "CodePatterns/Log.hpp"
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| [57f243] | 24 | #include "LinearAlgebra/Vector.hpp"
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| [ad011c] | 25 | #include "CodePatterns/Verbose.hpp"
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| [97ebf8] | 26 | #include "World.hpp"
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| [84c494] | 27 | #include "Box.hpp"
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| [cca9ef] | 28 | #include "LinearAlgebra/RealSpaceMatrix.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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| [1fd675] | 35 | #include "Actions/WorldAction/ScaleBoxAction.hpp"
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| [22e780] | 36 | 
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| [1fd675] | 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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| [22e780] | 41 | Action::state_ptr WorldScaleBoxAction::performCall() {
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| [97ebf8] | 42 |   double x[NDIM];
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 | 43 | 
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| [1fd675] | 44 |   // obtain information
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 | 45 |   getParametersfromValueStorage();
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| [22e780] | 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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| [1fd675] | 49 |     x[i] = params.Scaler[i];
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| [22e780] | 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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| [d74077] | 52 |     (*AtomRunner)->ScaleAll(x);
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| [97ebf8] | 53 |   }
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| [22e780] | 54 | 
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| [cca9ef] | 55 |   RealSpaceMatrix M = World::getInstance().getDomain().getM();
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 | 56 |   RealSpaceMatrix scale;
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| [22e780] | 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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| [97ebf8] | 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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| [1fd675] | 88 | /** =========== end of function ====================== */
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