/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2017 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 . */ /* * GeometryDistanceToVectorAction.cpp * * Created on: Mar 28, 2017 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif //#include "CodePatterns/MemDebug.hpp" #include "CodePatterns/Assert.hpp" #include "CodePatterns/Log.hpp" #include #include "Atom/atom.hpp" #include "Geometry/GeometryObject.hpp" #include "Geometry/GeometryRegistry.hpp" #include "World.hpp" #include "Actions/GeometryAction/GeometryDistanceToVectorAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "../GeometryAction/GeometryDistanceToVectorAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ ActionState::ptr GeometryDistanceToVectorAction::performCall() { // check preconditions World& world = World::getInstance(); if (world.countSelectedAtoms() != 2) { STATUS("There must be exactly two atoms selected for GeometryAction DistanceToVector."); return Action::failure; } if (GeometryRegistry::getInstance().isPresentByName(params.name.get())) { STATUS("Name "+params.name.get()+" already present in registry."); return Action::failure; } World::AtomSelectionIterator iter = world.beginAtomSelection(); const atom * const Walker = (iter++)->second; const atom * const OtherWalker = (iter++)->second; ASSERT( iter == world.endAtomSelection(), "GeometryDistanceToVectorAction::performCall() - selection iter not at end?"); const Vector distance = (Walker->getPosition() - OtherWalker->getPosition()) * (params.reverse.get() ? -1. : 1.); const GeometryObject vec(distance, params.name.get()); LOG(4, "DEBUG: Adding geometry object " << vec << " with norm " << distance.Norm()); GeometryRegistry::getInstance().addGeometry(vec); GeometryDistanceToVectorState *UndoState = new GeometryDistanceToVectorState(distance, params); return ActionState::ptr(UndoState); } ActionState::ptr GeometryDistanceToVectorAction::performUndo(ActionState::ptr _state) { // GeometryDistanceToVectorState *state = assert_cast(_state.get()); GeometryRegistry::getInstance().removeGeometry(params.name.get()); return ActionState::ptr(_state); } ActionState::ptr GeometryDistanceToVectorAction::performRedo(ActionState::ptr _state){ GeometryDistanceToVectorState *state = assert_cast(_state.get()); const GeometryObject vec(state->distance, params.name.get()); LOG(4, "DEBUG: Adding geometry object " << vec); GeometryRegistry::getInstance().addGeometry(vec); return ActionState::ptr(_state); } bool GeometryDistanceToVectorAction::canUndo() { return true; } bool GeometryDistanceToVectorAction::shouldUndo() { return true; } /** =========== end of function ====================== */