/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2010-2012 University of Bonn. 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 .
*/
/*
* DepthFirstSearchAction.cpp
*
* Created on: May 9, 2010
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
#include "CodePatterns/MemDebug.hpp"
#include "Atom/atom.hpp"
#include "CodePatterns/Log.hpp"
#include "Fragmentation/HydrogenSaturation_enum.hpp"
#include "Graph/CyclicStructureAnalysis.hpp"
#include "Graph/DepthFirstSearchAnalysis.hpp"
#include "Graph/ListOfLocalAtoms.hpp"
#include "molecule.hpp"
#include "MoleculeLeafClass.hpp"
#include
#include
#include "Actions/GraphAction/DepthFirstSearchAction.hpp"
using namespace MoleCuilder;
// and construct the stuff
#include "DepthFirstSearchAction.def"
#include "Action_impl_pre.hpp"
/** =========== define the function ====================== */
ActionState::ptr GraphDepthFirstSearchAction::performCall() {
LOG(1, "Depth-First-Search Analysis.");
ListOfLocalAtoms_t ListOfAtoms;
std::deque *LocalBackEdgeStack = NULL;
DepthFirstSearchAnalysis DFS;
DFS();
DFS.UpdateMoleculeStructure();
MoleculeLeafClass *Subgraphs = DFS.getMoleculeStructure();
if (Subgraphs != NULL) {
int FragmentCounter = 0;
while (Subgraphs->next != NULL) {
Subgraphs = Subgraphs->next;
ListOfAtoms.clear();
Subgraphs->Leaf->FillListOfLocalAtoms(ListOfAtoms, Subgraphs->Leaf->getAtomCount());
LocalBackEdgeStack = new std::deque; // no need to have it Subgraphs->Leaf->BondCount size
DFS.PickLocalBackEdges(ListOfAtoms, LocalBackEdgeStack);
CyclicStructureAnalysis CycleAnalysis(params.HowtoTreatHydrogen.get() ? ExcludeHydrogen : IncludeHydrogen);
CycleAnalysis(LocalBackEdgeStack);
delete(LocalBackEdgeStack);
Subgraphs->Leaf = NULL;
delete(Subgraphs->previous);
FragmentCounter++;
}
Subgraphs->Leaf = NULL;
delete(Subgraphs);
}
return Action::success;
}
ActionState::ptr GraphDepthFirstSearchAction::performUndo(ActionState::ptr _state) {
return Action::success;
}
ActionState::ptr GraphDepthFirstSearchAction::performRedo(ActionState::ptr _state){
return Action::success;
}
bool GraphDepthFirstSearchAction::canUndo() {
return true;
}
bool GraphDepthFirstSearchAction::shouldUndo() {
return true;
}
/** =========== end of function ====================== */