/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2020 Frederik Heber. All rights reserved. * * * This file is part of MoleCuilder. * * MoleCuilder is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 2 of the License, or * (at your option) any later version. * * MoleCuilder is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with MoleCuilder. If not, see . */ /* * AtomBondNeighborsAction.cpp * * Created on: Oct 04, 2020 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif //#include "CodePatterns/MemDebug.hpp" #include "CodePatterns/Log.hpp" #include "CodePatterns/Verbose.hpp" #include "Atom/atom.hpp" #include "Bond/bond.hpp" #include "Descriptors/AtomIdDescriptor.hpp" #include "World.hpp" #include "AtomBondNeighborsAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "AtomBondNeighborsAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ ActionState::ptr SelectionAtomBondNeighborsAction::performCall() { const World &world = World::getConstInstance(); const std::vector atoms = world.getSelectedAtoms(); std::vector undoatomids; undoatomids.reserve(atoms.size()*6); for(std::vector::const_iterator iter = atoms.begin(); iter != atoms.end(); ++iter) { // look at all bond neighbors and select those const atom &Walker = **iter; const BondList& ListOfBonds = Walker.getListOfBonds(); for (BondList::const_iterator bonditer = ListOfBonds.begin(); bonditer != ListOfBonds.end(); ++bonditer) { const atom &OtherWalker = *(*bonditer)->GetOtherAtom(&Walker); if (!world.isSelected(&OtherWalker)) { undoatomids.push_back(OtherWalker.getId()); World::getInstance().selectAtom(&OtherWalker); } } } LOG(0, World::getInstance().countSelectedAtoms()-atoms.size() << " atoms newly selected."); return ActionState::ptr(new SelectionAtomBondNeighborsState(undoatomids, params)); } ActionState::ptr SelectionAtomBondNeighborsAction::performUndo(ActionState::ptr _state) { SelectionAtomBondNeighborsState *state = assert_cast(_state.get()); for (atomids_t::const_iterator iter = state->undoatomids.begin(); iter != state->undoatomids.end(); ++iter) World::getInstance().unselectAllAtoms(AtomById(*iter)); return ActionState::ptr(_state); } ActionState::ptr SelectionAtomBondNeighborsAction::performRedo(ActionState::ptr _state){ SelectionAtomBondNeighborsState *state = assert_cast(_state.get()); for (atomids_t::const_iterator iter = state->undoatomids.begin(); iter != state->undoatomids.end(); ++iter) World::getInstance().selectAllAtoms(AtomById(*iter)); return ActionState::ptr(_state); } bool SelectionAtomBondNeighborsAction::canUndo() { return true; } bool SelectionAtomBondNeighborsAction::shouldUndo() { return true; } /** =========== end of function ====================== */