| 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 | * CenterInBoxAction.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 "CodePatterns/MemDebug.hpp"
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| 21 |
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| 22 | #include "Box.hpp"
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| 23 | #include "CodePatterns/Log.hpp"
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| 24 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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| 25 | #include "molecule.hpp"
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| 26 | #include "World.hpp"
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| 27 |
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| 28 | #include <iostream>
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| 29 | #include <string>
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| 30 |
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| 31 | #include "Actions/WorldAction/CenterInBoxAction.hpp"
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| 32 |
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| 33 | using namespace MoleCuilder;
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| 34 |
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| 35 | // and construct the stuff
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| 36 | #include "CenterInBoxAction.def"
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| 37 | #include "Action_impl_pre.hpp"
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| 38 | /** =========== define the function ====================== */
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| 39 | Action::state_ptr WorldCenterInBoxAction::performCall() {
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| 40 | // obtain information
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| 41 | getParametersfromValueStorage();
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| 42 |
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| 43 | World::getInstance().setDomain(params.cell_size.getM());
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| 44 |
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| 45 | // center
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| 46 | vector<molecule *> AllMolecules = World::getInstance().getAllMolecules();
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| 47 | for (vector<molecule*>::iterator MolRunner = AllMolecules.begin(); MolRunner != AllMolecules.end(); ++MolRunner) {
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| 48 | (*MolRunner)->CenterInBox();
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| 49 | }
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| 50 |
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| 51 | // give final box size
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| 52 | LOG(0, "Box domain is now " << World::getInstance().getDomain().getM());
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| 53 |
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| 54 | return Action::success;
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| 55 | }
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| 56 |
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| 57 | Action::state_ptr WorldCenterInBoxAction::performUndo(Action::state_ptr _state) {
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| 58 | // ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
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| 59 |
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| 60 | return Action::failure;
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| 61 | // string newName = state->mol->getName();
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| 62 | // state->mol->setName(state->lastName);
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| 63 | //
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| 64 | // return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
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| 65 | }
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| 66 |
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| 67 | Action::state_ptr WorldCenterInBoxAction::performRedo(Action::state_ptr _state){
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| 68 | return Action::failure;
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| 69 | }
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| 70 |
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| 71 | bool WorldCenterInBoxAction::canUndo() {
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| 72 | return false;
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| 73 | }
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| 74 |
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| 75 | bool WorldCenterInBoxAction::shouldUndo() {
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| 76 | return false;
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| 77 | }
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| 78 | /** =========== end of function ====================== */
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