/*
* 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 .
*/
/*
* LoadAction.cpp
*
* Created on: May 8, 2010
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
#include "CodePatterns/MemDebug.hpp"
#include "CodePatterns/Log.hpp"
#include "CodePatterns/Verbose.hpp"
#include "Descriptors/MoleculeIdDescriptor.hpp"
#include "Descriptors/MoleculeOrderDescriptor.hpp"
#include "Parser/Exceptions.hpp"
#include "Parser/FormatParserInterface.hpp"
#include "Parser/FormatParserStorage.hpp"
#include "Parser/FormatParser_Parameters.hpp"
#include "molecule.hpp"
#include "World.hpp"
#include
#include
#include "LoadAction.hpp"
using namespace MoleCuilder;
// and construct the stuff
#include "LoadAction.def"
#include "Action_impl_pre.hpp"
/** =========== define the function ====================== */
ActionState::ptr MoleculeLoadAction::performCall() {
// parsing file if present
if (!boost::filesystem::exists(params.filename.get())) {
STATUS("Specified input file "+params.filename.get().string()+" not found.");
return Action::failure;
} else {
LOG(1, "Specified input file found, parsing ... ");
// extract suffix
std::string FilenameSuffix;
std::string FilenamePrefix;
if (params.filename.get().has_filename()) {
// get suffix
FilenameSuffix = params.filename.get().extension().string().substr(1); // remove the prefixed "."
FilenamePrefix = params.filename.get().stem().string();
} else {
STATUS("Input file does not have a suffix, cannot recognize format.");
return Action::failure;
}
// get undo state for parser
enum ParserTypes type = FormatParserStorage::getInstance().getTypeFromSuffix(FilenameSuffix);
ASSERT(type != ParserTypes_end,
"MoleculeLoadAction::performCall() - unknown file suffix "+FilenameSuffix+".");
FormatParser_Parameters *ParserParams = FormatParserStorage::getInstance().get(type).parameters;
if (ParserParams != NULL)
ParserParams = ParserParams->clone();
else
ParserParams = NULL;
// parse the file
boost::filesystem::ifstream input;
input.open(params.filename.get());
try {
FormatParserStorage::getInstance().load(input, FilenameSuffix);
} catch(ParserException &e) {
delete ParserParams;
ELOG(1, "Could not parse the given file.");
STATUS("LoadAction failed");
return Action::failure;
}
input.close();
// set file name of last molecule
molecule * const mol = World::getInstance().getMolecule(MoleculeByOrder(-1));
mol->SetNameFromFilename(FilenamePrefix.c_str());
LOG(0, "Chemical formula is " << mol->getFormula());
return ActionState::ptr(
new MoleculeLoadState(mol->getId(),FilenamePrefix,FilenameSuffix,boost::shared_ptr(ParserParams),params)
);
}
}
ActionState::ptr MoleculeLoadAction::performUndo(ActionState::ptr _state) {
MoleculeLoadState *state = assert_cast(_state.get());
// remove loaded molecule and its atoms
molecule *mol = World::getInstance().getMolecule(MoleculeById(state->molId));
World::AtomComposite molecules_atoms = mol->getAtomSet();
for(World::AtomComposite::iterator iter = molecules_atoms.begin();
iter != molecules_atoms.end();++iter)
World::getInstance().destroyAtom(*iter);
//World::getInstance().destroyMolecule(mol);
molecules_atoms.clear();
// undo changes to FormatParser
enum ParserTypes type = FormatParserStorage::getInstance().getTypeFromSuffix(state->FilenameSuffix);
FormatParser_Parameters *ParserParams = FormatParserStorage::getInstance().get(type).parameters;
if (ParserParams != NULL)
ParserParams->makeClone(*state->ParserParameters);
return ActionState::ptr(_state);
}
ActionState::ptr MoleculeLoadAction::performRedo(ActionState::ptr _state){
MoleculeLoadState *state = assert_cast(_state.get());
// get undo state for parser
enum ParserTypes type = FormatParserStorage::getInstance().getTypeFromSuffix(state->FilenameSuffix);
FormatParser_Parameters *ParserParams = FormatParserStorage::getInstance().get(type).parameters;
if (ParserParams != NULL)
ParserParams = ParserParams->clone();
else
ParserParams = NULL;
// parse the file
boost::filesystem::ifstream input;
input.open(state->params.filename.get());
FormatParserStorage::getInstance().load(input, state->FilenameSuffix);
input.close();
// set file name of last molecule
molecule * const mol = World::getInstance().getMolecule(MoleculeByOrder(-1));
mol->SetNameFromFilename(state->FilenamePrefix.c_str());
mol->setId(state->molId);
LOG(0, "Chemical formula is " << mol->getFormula());
return ActionState::ptr(
new MoleculeLoadState(mol->getId(),state->FilenamePrefix,state->FilenameSuffix,boost::shared_ptr(ParserParams),params)
);
}
bool MoleculeLoadAction::canUndo() {
return true;
}
bool MoleculeLoadAction::shouldUndo() {
return true;
}
/** =========== end of function ====================== */