/*
* 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 ====================== */