| [4d4d33] | 1 | /* | 
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|  | 2 | * Project: MoleCuilder | 
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|  | 3 | * Description: creates and alters molecular systems | 
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| [0aa122] | 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
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| [94d5ac6] | 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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| [4d4d33] | 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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| [ce7fdc] | 49 | using namespace MoleCuilder; | 
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|  | 50 |  | 
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| [4d4d33] | 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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| [b5b01e] | 55 | ActionState::ptr ParserParseTremoloPotentialsAction::performCall() { | 
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| [4d4d33] | 56 | boost::filesystem::ifstream test; | 
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| [765f16] | 57 | FormatParser<tremolo> &parser = FormatParserStorage::getInstance().getParser<tremolo>(); | 
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| [4d4d33] | 58 | // parsing file if present | 
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| [f10b0c] | 59 | if (!boost::filesystem::exists(params.filename.get())) { | 
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|  | 60 | LOG(1, "Specified potentials file " << params.filename.get() << " not found."); | 
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| [4d4d33] | 61 | // DONT FAIL: it's just empty we re-create default id-mapping | 
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| [765f16] | 62 | parser.createKnownTypesByIdentity(); | 
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| [4d4d33] | 63 |  | 
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|  | 64 | } else { | 
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| [47d041] | 65 | LOG(1, "Specified potentials file found, parsing ... "); | 
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| [4d4d33] | 66 |  | 
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|  | 67 | // parse the file | 
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| [f10b0c] | 68 | test.open(params.filename.get()); | 
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| [765f16] | 69 | parser.parseKnownTypes(test); | 
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| [4d4d33] | 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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| [b5b01e] | 76 | ActionState::ptr ParserParseTremoloPotentialsAction::performUndo(ActionState::ptr _state) { | 
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| [4d4d33] | 77 | //  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get()); | 
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|  | 78 |  | 
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|  | 79 | return Action::failure; | 
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|  | 80 | //  string newName = state->mol->getName(); | 
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|  | 81 | //  state->mol->setName(state->lastName); | 
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|  | 82 | // | 
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| [b5b01e] | 83 | //  return ActionState::ptr(new ParserLoadXyzState(state->mol,newName)); | 
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| [4d4d33] | 84 | } | 
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|  | 85 |  | 
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| [b5b01e] | 86 | ActionState::ptr ParserParseTremoloPotentialsAction::performRedo(ActionState::ptr _state){ | 
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| [4d4d33] | 87 | return Action::failure; | 
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|  | 88 | } | 
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|  | 89 |  | 
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|  | 90 | bool ParserParseTremoloPotentialsAction::canUndo() { | 
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|  | 91 | return false; | 
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|  | 92 | } | 
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|  | 93 |  | 
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|  | 94 | bool ParserParseTremoloPotentialsAction::shouldUndo() { | 
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|  | 95 | return false; | 
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|  | 96 | } | 
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|  | 97 | /** =========== end of function ====================== */ | 
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