| [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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| [26b4d62] | 60 |     STATUS("Specified potentials file "+params.filename.get().string()+" 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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| [26b4d62] | 63 |     return Action::failure;
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| [4d4d33] | 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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| [26b4d62] | 79 |   STATUS("Undo of ParserParseTremoloPotentialsAction not implemented.");
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| [4d4d33] | 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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| [b5b01e] | 84 | //  return ActionState::ptr(new ParserLoadXyzState(state->mol,newName));
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| [4d4d33] | 85 | }
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 | 86 | 
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| [b5b01e] | 87 | ActionState::ptr ParserParseTremoloPotentialsAction::performRedo(ActionState::ptr _state){
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| [26b4d62] | 88 |   STATUS("Redo of ParserParseTremoloPotentialsAction not implemented.");
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| [4d4d33] | 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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