/*
* 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 .
*/
/*
* SaveAdjacencyAction.cpp
*
* Created on: May 10, 2010
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
#include "CodePatterns/MemDebug.hpp"
#include
#include
#include
#include "CodePatterns/Log.hpp"
#include "Graph/AdjacencyList.hpp"
#include "molecule.hpp"
#include "World.hpp"
#include "Actions/MoleculeAction/SaveAdjacencyAction.hpp"
using namespace MoleCuilder;
// and construct the stuff
#include "SaveAdjacencyAction.def"
#include "Action_impl_pre.hpp"
/** =========== define the function ====================== */
Action::state_ptr MoleculeSaveAdjacencyAction::performCall() {
molecule *mol = NULL;
// gather all desired ids
typedef std::vector atomids_t;
atomids_t atomids;
for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
mol = iter->second;
const molecule::atomIdSet &mol_atomids = mol->getAtomIds();
atomids.insert(atomids.end(), mol_atomids.begin(), mol_atomids.end());
}
// store to file
AdjacencyList adjacency(atomids);
std::ofstream AdjacencyFile;
const std::string filename = params.adjacencyfile.get().string();
LOG(0, "STATUS: Storing adjacency of selected molecules to " << filename << ".");
AdjacencyFile.open(filename.c_str(), ios::out);
adjacency.StoreToFile(AdjacencyFile);
AdjacencyFile.close();
return Action::success;
}
Action::state_ptr MoleculeSaveAdjacencyAction::performUndo(Action::state_ptr _state) {
// MoleculeSaveAdjacencyState *state = assert_cast(_state.get());
// string newName = state->mol->getName();
// state->mol->setName(state->lastName);
return Action::failure;
}
Action::state_ptr MoleculeSaveAdjacencyAction::performRedo(Action::state_ptr _state){
// Undo and redo have to do the same for this action
return performUndo(_state);
}
bool MoleculeSaveAdjacencyAction::canUndo() {
return false;
}
bool MoleculeSaveAdjacencyAction::shouldUndo() {
return false;
}
/** =========== end of function ====================== */