/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2010-2012 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 .
*/
/*
* UpdateMoleculesAction.cpp
*
* Created on: May 9, 2010
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
#include "CodePatterns/MemDebug.hpp"
#include "Descriptors/AtomIdDescriptor.hpp"
#include "Descriptors/MoleculeDescriptor.hpp"
#include "Atom/atom.hpp"
#include "Bond/bond.hpp"
#include "CodePatterns/Log.hpp"
#include "CodePatterns/Verbose.hpp"
#include "Graph/BondGraph.hpp"
#include "Graph/DepthFirstSearchAnalysis.hpp"
#include "molecule.hpp"
#include "World.hpp"
#include
#include
typedef std::map< moleculeId_t, std::vector > MolAtomList;
typedef std::map< atomId_t, atomId_t > AtomAtomList;
#include "Actions/GraphAction/UpdateMoleculesAction.hpp"
using namespace MoleCuilder;
// and construct the stuff
#include "UpdateMoleculesAction.def"
#include "Action_impl_pre.hpp"
/** =========== define the function ====================== */
ActionState::ptr GraphUpdateMoleculesAction::performCall() {
// first create stuff for undo state
LOG(0, "STATUS: Creating undo state.");
MolAtomList moleculelist;
{
vector allmolecules = const_cast(World::getInstance()).
getAllMolecules();
for (vector::const_iterator moliter = allmolecules.begin(); moliter != allmolecules.end(); ++moliter) {
std::vector atomlist;
atomlist.resize((*moliter)->size());
for (molecule::const_iterator atomiter = (*moliter)->begin(); atomiter != (*moliter)->end(); ++atomiter) {
atomlist.push_back((*atomiter)->getId());
}
moleculelist.insert( std::pair< moleculeId_t, std::vector > ((*moliter)->getId(), atomlist));
}
}
GraphUpdateMoleculesState *UndoState = new GraphUpdateMoleculesState(moleculelist, params);
// 0a. remove all present molecules
LOG(0, "STATUS: Removing all present molecules.");
vector allmolecules = World::getInstance().getAllMolecules();
for (vector::iterator MolRunner = allmolecules.begin();
MolRunner != allmolecules.end();
++MolRunner)
World::getInstance().destroyMolecule(*MolRunner);
// 2. scan for connected subgraphs
DepthFirstSearchAnalysis DFS;
DFS();
DFS.UpdateMoleculeStructure();
const size_t numMolecules =
const_cast(World::getInstance()).numMolecules();
if (numMolecules == 0) {
//World::getInstance().destroyMolecule(mol);
STATUS("There are no molecules.");
return Action::failure;
}
LOG(1, "I scanned " << numMolecules << " molecules.");
return ActionState::ptr(UndoState);
}
ActionState::ptr GraphUpdateMoleculesAction::performUndo(ActionState::ptr _state) {
GraphUpdateMoleculesState *state = assert_cast(_state.get());
{
// remove all present molecules
vector allmolecules = World::getInstance().getAllMolecules();
for (vector::iterator MolRunner = allmolecules.begin();
MolRunner != allmolecules.end();
++MolRunner)
World::getInstance().destroyMolecule(*MolRunner);
}
{
// construct the old state
molecule *mol = NULL;
for (MolAtomList::const_iterator iter = state->moleculelist.begin(); iter != state->moleculelist.end(); ++iter) {
mol = World::getInstance().createMolecule();
if (mol->getId() != (*iter).first)
World::getInstance().changeMoleculeId(mol->getId(), (*iter).first);
for (std::vector::const_iterator atomiter = (*iter).second.begin(); atomiter != (*iter).second.end(); ++atomiter) {
atom *Walker = World::getInstance().getAtom(AtomById(*atomiter));
mol->AddAtom(Walker);
}
}
}
return ActionState::ptr(_state);
}
ActionState::ptr GraphUpdateMoleculesAction::performRedo(ActionState::ptr _state){
return performCall();
}
bool GraphUpdateMoleculesAction::canUndo() {
return true;
}
bool GraphUpdateMoleculesAction::shouldUndo() {
return true;
}
/** =========== end of function ====================== */