/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2013 University of Bonn. All rights reserved.
* Copyright (C) 2013 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 .
*/
/*
* DestroyAdjacencyAction.cpp
*
* Created on: May 1, 2013
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
#include "CodePatterns/MemDebug.hpp"
#include "CodePatterns/Assert.hpp"
#include "CodePatterns/Log.hpp"
#include "Atom/atom.hpp"
#include "Descriptors/AtomIdDescriptor.hpp"
#include "Descriptors/AtomSelectionDescriptor.hpp"
#include "Graph/BondGraph.hpp"
#include "World.hpp"
#include "WorldTime.hpp"
#include
#include
#include
#include "Actions/GraphAction/DestroyAdjacencyAction.hpp"
using namespace MoleCuilder;
// Storing undo state
struct BondInfo_t {
atomId_t leftatom;
atomId_t rightatom;
size_t degree;
};
// and construct the stuff
#include "DestroyAdjacencyAction.def"
#include "Action_impl_pre.hpp"
/** =========== define the function ====================== */
ActionState::ptr GraphDestroyAdjacencyAction::performCall() {
BondGraph *BG = World::getInstance().getBondGraph();
ASSERT(BG != NULL, "GraphDestroyAdjacencyAction: BondGraph is NULL.");
// check precondition
World::ConstAtomComposite Set = const_cast(World::getInstance()).
getAllAtoms(AtomsBySelection());
if (Set.empty()) {
STATUS("No atoms selected.");
return Action::failure;
}
// count all present bonds
std::vector bonds;
{
size_t count_bonds = 0;
for (World::ConstAtomComposite::const_iterator iter = Set.begin();
iter != Set.end();
++iter) {
const atom * const Walker = *iter;
count_bonds += Walker->getListOfBonds().size();
}
bonds.reserve(count_bonds/2);
}
// Storing undo info
for (World::ConstAtomComposite::const_iterator iter = Set.begin();
iter != Set.end();
++iter) {
const atom * const Walker = *iter;
const BondList& ListOfBonds = Walker->getListOfBonds();
for (BondList::const_iterator bonditer = ListOfBonds.begin();
bonditer != ListOfBonds.end();
++bonditer) {
const bond::ptr &CurrentBond = *bonditer;
// if both atoms are in selected set, we check ids otherwise not
if (((!World::getInstance().isSelected(CurrentBond->leftatom))
|| (!World::getInstance().isSelected(CurrentBond->rightatom)))
|| (CurrentBond->leftatom->getId() < CurrentBond->rightatom->getId())) {
BondInfo_t BondInfo;
BondInfo.leftatom = CurrentBond->leftatom->getId();
BondInfo.rightatom = CurrentBond->rightatom->getId();
BondInfo.degree = CurrentBond->getDegree();
bonds.push_back(BondInfo);
}
}
}
GraphDestroyAdjacencyState *UndoState = new GraphDestroyAdjacencyState(bonds, params);
LOG(0, "STATUS: Clearing the Adjacency.");
{
World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection());
BG->cleanAdjacencyList(Set);
}
return ActionState::ptr(UndoState);
}
ActionState::ptr GraphDestroyAdjacencyAction::performUndo(ActionState::ptr _state) {
GraphDestroyAdjacencyState *state = assert_cast(_state.get());
const size_t CurrentTime = WorldTime::getTime();
std::vector &bonds = state->bonds;
for(std::vector::const_iterator iter = bonds.begin();
iter != bonds.end(); ++iter) {
atom * const Walker = World::getInstance().getAtom(AtomById(iter->leftatom));
ASSERT( Walker != NULL,
"GraphDestroyAdjacencyAction::performUndo() - "+toString(iter->leftatom)+" missing.");
atom * const OtherWalker = World::getInstance().getAtom(AtomById(iter->rightatom));
ASSERT( OtherWalker != NULL,
"GraphDestroyAdjacencyAction::performUndo() - "+toString(iter->rightatom)+" missing.");
bond::ptr CurrentBond = Walker->addBond(CurrentTime, OtherWalker);
CurrentBond->setDegree(iter->degree);
}
return ActionState::ptr(_state);
}
ActionState::ptr GraphDestroyAdjacencyAction::performRedo(ActionState::ptr _state){
BondGraph *BG = World::getInstance().getBondGraph();
ASSERT(BG != NULL, "GraphDestroyAdjacencyAction: BondGraph is NULL.");
World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection());
BG->cleanAdjacencyList(Set);
return ActionState::ptr(_state);
}
bool GraphDestroyAdjacencyAction::canUndo() {
return true;
}
bool GraphDestroyAdjacencyAction::shouldUndo() {
return true;
}
/** =========== end of function ====================== */