| [bcf653] | 1 | /* | 
|---|
|  | 2 | * Project: MoleCuilder | 
|---|
|  | 3 | * Description: creates and alters molecular systems | 
|---|
| [0aa122] | 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
|---|
| [94d5ac6] | 5 | * | 
|---|
|  | 6 | * | 
|---|
|  | 7 | *   This file is part of MoleCuilder. | 
|---|
|  | 8 | * | 
|---|
|  | 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
|---|
|  | 10 | *    it under the terms of the GNU General Public License as published by | 
|---|
|  | 11 | *    the Free Software Foundation, either version 2 of the License, or | 
|---|
|  | 12 | *    (at your option) any later version. | 
|---|
|  | 13 | * | 
|---|
|  | 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
|---|
|  | 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
|---|
|  | 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
|---|
|  | 17 | *    GNU General Public License for more details. | 
|---|
|  | 18 | * | 
|---|
|  | 19 | *    You should have received a copy of the GNU General Public License | 
|---|
|  | 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
|---|
| [bcf653] | 21 | */ | 
|---|
|  | 22 |  | 
|---|
| [97ebf8] | 23 | /* | 
|---|
|  | 24 | * AddAction.cpp | 
|---|
|  | 25 | * | 
|---|
|  | 26 | *  Created on: May 9, 2010 | 
|---|
|  | 27 | *      Author: heber | 
|---|
|  | 28 | */ | 
|---|
|  | 29 |  | 
|---|
| [bf3817] | 30 | // include config.h | 
|---|
|  | 31 | #ifdef HAVE_CONFIG_H | 
|---|
|  | 32 | #include <config.h> | 
|---|
|  | 33 | #endif | 
|---|
|  | 34 |  | 
|---|
| [9eb71b3] | 35 | //#include "CodePatterns/MemDebug.hpp" | 
|---|
| [112b09] | 36 |  | 
|---|
| [399c69] | 37 | #include "Actions/UndoRedoHelpers.hpp" | 
|---|
| [ea2830] | 38 | #include "Descriptors/AtomIdDescriptor.hpp" | 
|---|
| [6f0841] | 39 | #include "Atom/atom.hpp" | 
|---|
| [3bdb6d] | 40 | #include "Element/element.hpp" | 
|---|
| [ad011c] | 41 | #include "CodePatterns/Log.hpp" | 
|---|
| [f0a3ec] | 42 | #include "molecule.hpp" | 
|---|
| [57f243] | 43 | #include "LinearAlgebra/Vector.hpp" | 
|---|
| [ad011c] | 44 | #include "CodePatterns/Verbose.hpp" | 
|---|
| [97ebf8] | 45 | #include "World.hpp" | 
|---|
|  | 46 |  | 
|---|
|  | 47 | #include <iostream> | 
|---|
|  | 48 | #include <string> | 
|---|
|  | 49 |  | 
|---|
| [8bb05e] | 50 | #include "Actions/AtomAction/AddAction.hpp" | 
|---|
| [9d33ba] | 51 |  | 
|---|
| [ce7fdc] | 52 | using namespace MoleCuilder; | 
|---|
|  | 53 |  | 
|---|
| [8bb05e] | 54 | // and construct the stuff | 
|---|
|  | 55 | #include "AddAction.def" | 
|---|
|  | 56 | #include "Action_impl_pre.hpp" | 
|---|
|  | 57 | /** =========== define the function ====================== */ | 
|---|
| [ceaab1] | 58 | atom * getNewAtom(const AtomAddAction::AtomAddParameters &_params) | 
|---|
|  | 59 | { | 
|---|
| [85537a] | 60 | atom * first = World::getInstance().createAtom(); | 
|---|
| [ceaab1] | 61 | first->setType(_params.elemental.get()); | 
|---|
|  | 62 | first->setPosition(_params.position.get()); | 
|---|
|  | 63 |  | 
|---|
|  | 64 | return first; | 
|---|
|  | 65 | } | 
|---|
|  | 66 |  | 
|---|
| [399c69] | 67 | ActionState::ptr AtomAddAction::performCall() { | 
|---|
|  | 68 | // execute action | 
|---|
|  | 69 | std::vector<molecule *> molecules = World::getInstance().getSelectedMolecules(); | 
|---|
| [8ad68b] | 70 |  | 
|---|
| [399c69] | 71 | std::vector<AtomicInfo> Walkers; | 
|---|
|  | 72 | moleculeId_t molId = -1; | 
|---|
|  | 73 | if (!molecules.empty()) { | 
|---|
|  | 74 | if (molecules.size() == 1) { | 
|---|
|  | 75 | atom *first = getNewAtom(params); | 
|---|
|  | 76 | molecule *mol = *molecules.begin(); | 
|---|
| [ceaab1] | 77 | LOG(1, "Adding new atom with element " << first->getType()->getName() | 
|---|
|  | 78 | << " at " << (first->getPosition()) << " to selected molecule " | 
|---|
|  | 79 | << mol->getName()+"."); | 
|---|
|  | 80 | mol->AddAtom(first); | 
|---|
| [399c69] | 81 | molId = mol->getId(); | 
|---|
|  | 82 | Walkers.push_back(AtomicInfo(*first)); | 
|---|
|  | 83 | } else { | 
|---|
|  | 84 | ELOG(1, "Multiple molecules selected. Cannot add atom to multiple molecules."); | 
|---|
| [ceaab1] | 85 | } | 
|---|
|  | 86 | } else { | 
|---|
| [399c69] | 87 | atom * first = getNewAtom(params); | 
|---|
| [ceaab1] | 88 | molecule *mol = World::getInstance().createMolecule(); | 
|---|
|  | 89 | mol->setName("none"); | 
|---|
|  | 90 | mol->AddAtom(first); | 
|---|
|  | 91 | LOG(1, "Adding new atom with element " << first->getType()->getName() | 
|---|
|  | 92 | << " at " << (first->getPosition()) << " to new molecule."); | 
|---|
| [399c69] | 93 | molId = mol->getId(); | 
|---|
|  | 94 | Walkers.push_back(AtomicInfo(*first)); | 
|---|
| [97ebf8] | 95 | } | 
|---|
| [399c69] | 96 | WalkersInMolecule_t WalkersInMolecule = { { molId, Walkers } }; | 
|---|
| [ceaab1] | 97 |  | 
|---|
|  | 98 |  | 
|---|
| [399c69] | 99 | // create undo state | 
|---|
|  | 100 | AtomAddState *UndoState = new AtomAddState(WalkersInMolecule, params); | 
|---|
| [8ad68b] | 101 |  | 
|---|
| [399c69] | 102 | if ((molecules.size() > 1) || (Walkers.empty())) | 
|---|
| [ceaab1] | 103 | return Action::failure; | 
|---|
|  | 104 | else | 
|---|
| [399c69] | 105 | return ActionState::ptr(UndoState); | 
|---|
| [97ebf8] | 106 | } | 
|---|
|  | 107 |  | 
|---|
| [399c69] | 108 | ActionState::ptr AtomAddAction::performUndo(ActionState::ptr _state){ | 
|---|
| [ea2830] | 109 | AtomAddState *state = assert_cast<AtomAddState*>(_state.get()); | 
|---|
| [97ebf8] | 110 |  | 
|---|
| [399c69] | 111 | // simple remove again all previously added atoms | 
|---|
|  | 112 | RemoveAtomsFromAtomicInfo(state->WalkersInMolecule.begin()->second); | 
|---|
| [ea2830] | 113 |  | 
|---|
| [b5b01e] | 114 | return ActionState::ptr(_state); | 
|---|
| [97ebf8] | 115 | } | 
|---|
|  | 116 |  | 
|---|
| [399c69] | 117 | ActionState::ptr AtomAddAction::performRedo(ActionState::ptr _state) { | 
|---|
| [ea2830] | 118 | AtomAddState *state = assert_cast<AtomAddState*>(_state.get()); | 
|---|
|  | 119 |  | 
|---|
| [399c69] | 120 | // add all removed atoms again | 
|---|
|  | 121 | if (AddMoleculesFromAtomicInfo(state->WalkersInMolecule)) | 
|---|
|  | 122 | return ActionState::ptr(_state); | 
|---|
|  | 123 | else { | 
|---|
|  | 124 | STATUS("Failed to re-add removed atoms."); | 
|---|
| [ceaab1] | 125 | return Action::failure; | 
|---|
| [ea2830] | 126 | } | 
|---|
| [97ebf8] | 127 | } | 
|---|
|  | 128 |  | 
|---|
|  | 129 | bool AtomAddAction::canUndo() { | 
|---|
| [ea2830] | 130 | return true; | 
|---|
| [97ebf8] | 131 | } | 
|---|
|  | 132 |  | 
|---|
|  | 133 | bool AtomAddAction::shouldUndo() { | 
|---|
| [ea2830] | 134 | return true; | 
|---|
| [97ebf8] | 135 | } | 
|---|
| [8bb05e] | 136 | /** =========== end of function ====================== */ | 
|---|