| [987145] | 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)  2017 Frederik Heber. All rights reserved. | 
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|  | 5 | * | 
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|  | 6 | * | 
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|  | 7 | *   This file is part of MoleCuilder. | 
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|  | 8 | * | 
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|  | 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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|  | 10 | *    it under the terms of the GNU General Public License as published by | 
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|  | 11 | *    the Free Software Foundation, either version 2 of the License, or | 
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|  | 12 | *    (at your option) any later version. | 
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|  | 13 | * | 
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|  | 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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|  | 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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|  | 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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|  | 17 | *    GNU General Public License for more details. | 
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|  | 18 | * | 
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|  | 19 | *    You should have received a copy of the GNU General Public License | 
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|  | 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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|  | 21 | */ | 
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|  | 22 |  | 
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|  | 23 | /* | 
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|  | 24 | * GeometryDistanceToVectorAction.cpp | 
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|  | 25 | * | 
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|  | 26 | *  Created on: Mar 28, 2017 | 
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|  | 27 | *      Author: heber | 
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|  | 28 | */ | 
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|  | 29 |  | 
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|  | 30 | // include config.h | 
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|  | 31 | #ifdef HAVE_CONFIG_H | 
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|  | 32 | #include <config.h> | 
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|  | 33 | #endif | 
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|  | 34 |  | 
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|  | 35 | //#include "CodePatterns/MemDebug.hpp" | 
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|  | 36 |  | 
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|  | 37 | #include "CodePatterns/Assert.hpp" | 
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|  | 38 | #include "CodePatterns/Log.hpp" | 
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|  | 39 |  | 
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|  | 40 | #include <string> | 
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|  | 41 |  | 
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|  | 42 | #include "Atom/atom.hpp" | 
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|  | 43 | #include "Geometry/GeometryObject.hpp" | 
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|  | 44 | #include "Geometry/GeometryRegistry.hpp" | 
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|  | 45 | #include "World.hpp" | 
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|  | 46 |  | 
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|  | 47 | #include "Actions/GeometryAction/GeometryDistanceToVectorAction.hpp" | 
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|  | 48 |  | 
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|  | 49 | using namespace MoleCuilder; | 
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|  | 50 |  | 
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|  | 51 | // and construct the stuff | 
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|  | 52 | #include "../GeometryAction/GeometryDistanceToVectorAction.def" | 
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|  | 53 | #include "Action_impl_pre.hpp" | 
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|  | 54 | /** =========== define the function ====================== */ | 
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|  | 55 | ActionState::ptr GeometryDistanceToVectorAction::performCall() { | 
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|  | 56 | // check preconditions | 
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|  | 57 | World& world = World::getInstance(); | 
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|  | 58 | if (world.countSelectedAtoms() != 2) { | 
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|  | 59 | STATUS("There must be exactly two atoms selected for GeometryAction DistanceToVector."); | 
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|  | 60 | return Action::failure; | 
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|  | 61 | } | 
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|  | 62 | if (GeometryRegistry::getInstance().isPresentByName(params.name.get())) { | 
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|  | 63 | STATUS("Name "+params.name.get()+" already present in registry."); | 
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|  | 64 | return Action::failure; | 
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|  | 65 | } | 
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|  | 66 |  | 
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|  | 67 | World::AtomSelectionIterator iter = world.beginAtomSelection(); | 
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|  | 68 | const atom * const Walker = (iter++)->second; | 
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|  | 69 | const atom * const OtherWalker = (iter++)->second; | 
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|  | 70 | ASSERT( iter == world.endAtomSelection(), | 
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|  | 71 | "GeometryDistanceToVectorAction::performCall() - selection iter not at end?"); | 
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|  | 72 | const Vector distance = (Walker->getPosition() - OtherWalker->getPosition()) | 
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|  | 73 | * (params.reverse.get() ? -1. : 1.); | 
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|  | 74 | const GeometryObject vec(distance, params.name.get()); | 
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|  | 75 | LOG(4, "DEBUG: Adding geometry object " << vec << " with norm " << distance.Norm()); | 
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|  | 76 | GeometryRegistry::getInstance().addGeometry(vec); | 
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|  | 77 |  | 
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|  | 78 | GeometryDistanceToVectorState *UndoState = new GeometryDistanceToVectorState(distance, params); | 
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|  | 79 | return ActionState::ptr(UndoState); | 
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|  | 80 | } | 
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|  | 81 |  | 
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|  | 82 | ActionState::ptr GeometryDistanceToVectorAction::performUndo(ActionState::ptr _state) { | 
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|  | 83 | //  GeometryDistanceToVectorState *state = assert_cast<GeometryDistanceToVectorState*>(_state.get()); | 
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|  | 84 |  | 
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|  | 85 | GeometryRegistry::getInstance().removeGeometry(params.name.get()); | 
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|  | 86 |  | 
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|  | 87 | return ActionState::ptr(_state); | 
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|  | 88 | } | 
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|  | 89 |  | 
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|  | 90 | ActionState::ptr GeometryDistanceToVectorAction::performRedo(ActionState::ptr _state){ | 
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|  | 91 | GeometryDistanceToVectorState *state = assert_cast<GeometryDistanceToVectorState*>(_state.get()); | 
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|  | 92 |  | 
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|  | 93 | const GeometryObject vec(state->distance, params.name.get()); | 
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|  | 94 | LOG(4, "DEBUG: Adding geometry object " << vec); | 
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|  | 95 | GeometryRegistry::getInstance().addGeometry(vec); | 
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|  | 96 |  | 
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|  | 97 | return ActionState::ptr(_state); | 
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|  | 98 | } | 
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|  | 99 |  | 
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|  | 100 | bool GeometryDistanceToVectorAction::canUndo() { | 
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|  | 101 | return true; | 
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|  | 102 | } | 
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|  | 103 |  | 
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|  | 104 | bool GeometryDistanceToVectorAction::shouldUndo() { | 
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|  | 105 | return true; | 
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|  | 106 | } | 
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|  | 107 | /** =========== end of function ====================== */ | 
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