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) 2010-2011 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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34 | using namespace MoleCuilder;
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35 |
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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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45 | FormatParser<tremolo> &parser = FormatParserStorage::getInstance().getParser<tremolo>();
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46 | // parsing file if present
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47 | if (!boost::filesystem::exists(params.filename)) {
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48 | LOG(1, "Specified potentials file " << params.filename << " not found.");
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49 | // DONT FAIL: it's just empty we re-create default id-mapping
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50 | parser.createKnownTypesByIdentity();
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51 |
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52 | } else {
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53 | LOG(1, "Specified potentials file found, parsing ... ");
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54 |
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55 | // parse the file
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56 | test.open(params.filename);
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57 | parser.parseKnownTypes(test);
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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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