| [4d4d33] | 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 University of Bonn. All rights reserved. | 
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|  | 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details. | 
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|  | 6 | */ | 
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|  | 7 |  | 
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|  | 8 | /* | 
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|  | 9 | * ParseTremoloPotentialsAction.cpp | 
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|  | 10 | * | 
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|  | 11 | *  Created on: Feb 9, 2011 | 
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|  | 12 | *      Author: heber | 
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|  | 13 | */ | 
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|  | 14 |  | 
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|  | 15 | // include config.h | 
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|  | 16 | #ifdef HAVE_CONFIG_H | 
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|  | 17 | #include <config.h> | 
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|  | 18 | #endif | 
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|  | 19 |  | 
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|  | 20 | #include "CodePatterns/MemDebug.hpp" | 
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|  | 21 |  | 
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|  | 22 | #include "Parser/TremoloParser.hpp" | 
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|  | 23 | #include "Parser/FormatParserStorage.hpp" | 
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|  | 24 | #include "CodePatterns/Log.hpp" | 
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|  | 25 | #include "CodePatterns/Verbose.hpp" | 
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|  | 26 |  | 
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|  | 27 | #include <iostream> | 
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|  | 28 | #include <string> | 
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|  | 29 |  | 
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|  | 30 | #include <boost/filesystem/fstream.hpp> | 
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|  | 31 |  | 
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|  | 32 | #include "ParseTremoloPotentialsAction.hpp" | 
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|  | 33 |  | 
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| [ce7fdc] | 34 | using namespace MoleCuilder; | 
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|  | 35 |  | 
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| [4d4d33] | 36 | // and construct the stuff | 
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|  | 37 | #include "ParseTremoloPotentialsAction.def" | 
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|  | 38 | #include "Action_impl_pre.hpp" | 
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|  | 39 | /** =========== define the function ====================== */ | 
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|  | 40 | Action::state_ptr ParserParseTremoloPotentialsAction::performCall() { | 
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|  | 41 | // obtain information | 
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|  | 42 | getParametersfromValueStorage(); | 
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|  | 43 |  | 
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|  | 44 | boost::filesystem::ifstream test; | 
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| [765f16] | 45 | FormatParser<tremolo> &parser = FormatParserStorage::getInstance().getParser<tremolo>(); | 
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| [4d4d33] | 46 | // parsing file if present | 
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|  | 47 | if (!boost::filesystem::exists(params.filename)) { | 
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| [47d041] | 48 | LOG(1, "Specified potentials file " << params.filename << " not found."); | 
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| [4d4d33] | 49 | // DONT FAIL: it's just empty we re-create default id-mapping | 
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| [765f16] | 50 | parser.createKnownTypesByIdentity(); | 
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| [4d4d33] | 51 |  | 
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|  | 52 | } else { | 
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| [47d041] | 53 | LOG(1, "Specified potentials file found, parsing ... "); | 
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| [4d4d33] | 54 |  | 
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|  | 55 | // parse the file | 
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|  | 56 | test.open(params.filename); | 
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| [765f16] | 57 | parser.parseKnownTypes(test); | 
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| [4d4d33] | 58 | test.close(); | 
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|  | 59 | } | 
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|  | 60 |  | 
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|  | 61 | return Action::success; | 
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|  | 62 | } | 
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|  | 63 |  | 
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|  | 64 | Action::state_ptr ParserParseTremoloPotentialsAction::performUndo(Action::state_ptr _state) { | 
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|  | 65 | //  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get()); | 
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|  | 66 |  | 
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|  | 67 | return Action::failure; | 
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|  | 68 | //  string newName = state->mol->getName(); | 
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|  | 69 | //  state->mol->setName(state->lastName); | 
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|  | 70 | // | 
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|  | 71 | //  return Action::state_ptr(new ParserLoadXyzState(state->mol,newName)); | 
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|  | 72 | } | 
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|  | 73 |  | 
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|  | 74 | Action::state_ptr ParserParseTremoloPotentialsAction::performRedo(Action::state_ptr _state){ | 
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|  | 75 | return Action::failure; | 
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|  | 76 | } | 
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|  | 77 |  | 
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|  | 78 | bool ParserParseTremoloPotentialsAction::canUndo() { | 
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|  | 79 | return false; | 
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|  | 80 | } | 
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|  | 81 |  | 
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|  | 82 | bool ParserParseTremoloPotentialsAction::shouldUndo() { | 
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|  | 83 | return false; | 
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|  | 84 | } | 
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|  | 85 | /** =========== end of function ====================== */ | 
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