| 1 | /* | 
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| 2 | * Project: MoleCuilder | 
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| 3 | * Description: creates and alters molecular systems | 
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| 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
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| 5 | * | 
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| 6 | * | 
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| 7 | *   This file is part of MoleCuilder. | 
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| 8 | * | 
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| 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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| 10 | *    it under the terms of the GNU General Public License as published by | 
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| 11 | *    the Free Software Foundation, either version 2 of the License, or | 
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| 12 | *    (at your option) any later version. | 
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| 13 | * | 
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| 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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| 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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| 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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| 17 | *    GNU General Public License for more details. | 
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| 18 | * | 
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| 19 | *    You should have received a copy of the GNU General Public License | 
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| 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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| 21 | */ | 
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| 22 |  | 
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| 23 | /* | 
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| 24 | * ParseTremoloPotentialsAction.cpp | 
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| 25 | * | 
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| 26 | *  Created on: Feb 9, 2011 | 
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| 27 | *      Author: heber | 
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| 28 | */ | 
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| 29 |  | 
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| 30 | // include config.h | 
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| 31 | #ifdef HAVE_CONFIG_H | 
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| 32 | #include <config.h> | 
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| 33 | #endif | 
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| 34 |  | 
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| 35 | #include "CodePatterns/MemDebug.hpp" | 
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| 36 |  | 
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| 37 | #include "Parser/TremoloParser.hpp" | 
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| 38 | #include "Parser/FormatParserStorage.hpp" | 
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| 39 | #include "CodePatterns/Log.hpp" | 
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| 40 | #include "CodePatterns/Verbose.hpp" | 
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| 41 |  | 
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| 42 | #include <iostream> | 
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| 43 | #include <string> | 
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| 44 |  | 
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| 45 | #include <boost/filesystem/fstream.hpp> | 
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| 46 |  | 
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| 47 | #include "ParseTremoloPotentialsAction.hpp" | 
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| 48 |  | 
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| 49 | using namespace MoleCuilder; | 
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| 50 |  | 
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| 51 | // and construct the stuff | 
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| 52 | #include "ParseTremoloPotentialsAction.def" | 
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| 53 | #include "Action_impl_pre.hpp" | 
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| 54 | /** =========== define the function ====================== */ | 
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| 55 | ActionState::ptr ParserParseTremoloPotentialsAction::performCall() { | 
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| 56 | boost::filesystem::ifstream test; | 
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| 57 | FormatParser<tremolo> &parser = FormatParserStorage::getInstance().getParser<tremolo>(); | 
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| 58 | // parsing file if present | 
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| 59 | if (!boost::filesystem::exists(params.filename.get())) { | 
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| 60 | STATUS("Specified potentials file "+params.filename.get().string()+" not found."); | 
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| 61 | // DONT FAIL: it's just empty we re-create default id-mapping | 
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| 62 | parser.createKnownTypesByIdentity(); | 
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| 63 | return Action::failure; | 
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| 64 | } else { | 
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| 65 | LOG(1, "Specified potentials file found, parsing ... "); | 
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| 66 |  | 
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| 67 | // parse the file | 
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| 68 | test.open(params.filename.get()); | 
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| 69 | parser.parseKnownTypes(test); | 
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| 70 | test.close(); | 
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| 71 | } | 
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| 72 |  | 
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| 73 | return Action::success; | 
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| 74 | } | 
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| 75 |  | 
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| 76 | ActionState::ptr ParserParseTremoloPotentialsAction::performUndo(ActionState::ptr _state) { | 
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| 77 | //  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get()); | 
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| 78 |  | 
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| 79 | STATUS("Undo of ParserParseTremoloPotentialsAction not implemented."); | 
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| 80 | return Action::failure; | 
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| 81 | //  string newName = state->mol->getName(); | 
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| 82 | //  state->mol->setName(state->lastName); | 
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| 83 | // | 
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| 84 | //  return ActionState::ptr(new ParserLoadXyzState(state->mol,newName)); | 
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| 85 | } | 
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| 86 |  | 
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| 87 | ActionState::ptr ParserParseTremoloPotentialsAction::performRedo(ActionState::ptr _state){ | 
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| 88 | STATUS("Redo of ParserParseTremoloPotentialsAction not implemented."); | 
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| 89 | return Action::failure; | 
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| 90 | } | 
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| 91 |  | 
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| 92 | bool ParserParseTremoloPotentialsAction::canUndo() { | 
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| 93 | return false; | 
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| 94 | } | 
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| 95 |  | 
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| 96 | bool ParserParseTremoloPotentialsAction::shouldUndo() { | 
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| 97 | return false; | 
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| 98 | } | 
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| 99 | /** =========== end of function ====================== */ | 
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