| 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 | * GeometryPlaneToVectorAction.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/Log.hpp"
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| 38 |
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| 39 | #include <string>
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| 40 |
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| 41 | #include "LinearAlgebra/Plane.hpp"
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| 42 |
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| 43 | #include "Atom/atom.hpp"
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| 44 | #include "Geometry/GeometryObject.hpp"
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| 45 | #include "Geometry/GeometryRegistry.hpp"
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| 46 | #include "World.hpp"
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| 47 |
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| 48 | #include "Actions/GeometryAction/GeometryPlaneToVectorAction.hpp"
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| 49 |
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| 50 | using namespace MoleCuilder;
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| 51 |
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| 52 | // and construct the stuff
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| 53 | #include "../GeometryAction/GeometryPlaneToVectorAction.def"
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| 54 | #include "Action_impl_pre.hpp"
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| 55 | /** =========== define the function ====================== */
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| 56 | ActionState::ptr GeometryPlaneToVectorAction::performCall() {
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| 57 | // check preconditions
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| 58 | World& world = World::getInstance();
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| 59 | if (world.countSelectedAtoms() != 3) {
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| 60 | STATUS("There must be exactly three atoms selected for GeometryAction PlaneToVector.");
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| 61 | return Action::failure;
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| 62 | }
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| 63 | if (GeometryRegistry::getInstance().isPresentByName(params.name.get())) {
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| 64 | STATUS("Name "+params.name.get()+" already present in registry.");
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| 65 | return Action::failure;
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| 66 | }
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| 67 |
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| 68 | World::AtomSelectionIterator iter = world.beginAtomSelection();
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| 69 | const atom * const Walker = (iter++)->second;
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| 70 | const atom * const OtherWalker = (iter++)->second;
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| 71 | const atom * const AnotherWalker = (iter++)->second;
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| 72 | ASSERT( iter == world.endAtomSelection(),
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| 73 | "GeometryDistanceToVectorAction::performCall() - selection iter not at end?");
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| 74 | Vector PlaneNormal;
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| 75 | try {
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| 76 | const Plane AtomPlane(Walker->getPosition(), OtherWalker->getPosition(), AnotherWalker->getPosition());
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| 77 | PlaneNormal = AtomPlane.getNormal();
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| 78 | } catch (LinearDependenceException &e) {
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| 79 | ELOG(2, "The selected atomic positions are linearly dependent.");
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| 80 | return Action::failure;
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| 81 | }
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| 82 | PlaneNormal *= (params.reverse.get() ? -1. : 1.);
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| 83 | const GeometryObject vec(PlaneNormal, params.name.get());
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| 84 | LOG(4, "DEBUG: Adding geometry object " << vec << " with norm " << PlaneNormal.Norm());
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| 85 | GeometryRegistry::getInstance().addGeometry(vec);
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| 86 |
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| 87 | GeometryPlaneToVectorState *UndoState = new GeometryPlaneToVectorState(PlaneNormal, params);
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| 88 | return ActionState::ptr(UndoState);
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| 89 | }
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| 90 |
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| 91 | ActionState::ptr GeometryPlaneToVectorAction::performUndo(ActionState::ptr _state) {
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| 92 | // GeometryPlaneToVectorState *state = assert_cast<GeometryPlaneToVectorState*>(_state.get());
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| 93 |
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| 94 | GeometryRegistry::getInstance().removeGeometry(params.name.get());
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| 95 |
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| 96 | return ActionState::ptr(_state);
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| 97 | }
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| 98 |
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| 99 | ActionState::ptr GeometryPlaneToVectorAction::performRedo(ActionState::ptr _state){
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| 100 | GeometryPlaneToVectorState *state = assert_cast<GeometryPlaneToVectorState*>(_state.get());
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| 101 |
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| 102 | const GeometryObject vec(state->PlaneNormal, params.name.get());
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| 103 | LOG(4, "DEBUG: Adding geometry object " << vec);
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| 104 | GeometryRegistry::getInstance().addGeometry(vec);
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| 105 |
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| 106 | return ActionState::ptr(_state);
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| 107 | }
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| 108 |
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| 109 | bool GeometryPlaneToVectorAction::canUndo() {
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| 110 | return true;
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| 111 | }
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| 112 |
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| 113 | bool GeometryPlaneToVectorAction::shouldUndo() {
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| 114 | return true;
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| 115 | }
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| 116 | /** =========== end of function ====================== */
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