[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 | using namespace std;
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| 33 |
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| 34 | #include "ParseTremoloPotentialsAction.hpp"
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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 | TremoloParser &tremolo = FormatParserStorage::getInstance().getTremolo();
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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 | DoLog(1) && (Log() << Verbose(1) << "Specified potentials file " << params.filename << " not found." << endl);
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| 49 | // DONT FAIL: it's just empty we re-create default id-mapping
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| 50 | tremolo.createKnownTypesByIdentity();
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| 51 |
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| 52 | } else {
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| 53 | DoLog(1) && (Log() << Verbose(1) << "Specified potentials file found, parsing ... " << std::endl);
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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 | TremoloParser &tremolo = FormatParserStorage::getInstance().getTremolo();
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| 58 | tremolo.parseKnownTypes(test);
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| 59 | test.close();
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| 60 | }
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| 61 |
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| 62 | return Action::success;
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| 63 | }
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| 64 |
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| 65 | Action::state_ptr ParserParseTremoloPotentialsAction::performUndo(Action::state_ptr _state) {
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| 66 | // ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
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| 67 |
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| 68 | return Action::failure;
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| 69 | // string newName = state->mol->getName();
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| 70 | // state->mol->setName(state->lastName);
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| 71 | //
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| 72 | // return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
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| 73 | }
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| 74 |
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| 75 | Action::state_ptr ParserParseTremoloPotentialsAction::performRedo(Action::state_ptr _state){
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| 76 | return Action::failure;
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| 77 | }
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| 78 |
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| 79 | bool ParserParseTremoloPotentialsAction::canUndo() {
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| 80 | return false;
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| 81 | }
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| 82 |
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| 83 | bool ParserParseTremoloPotentialsAction::shouldUndo() {
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| 84 | return false;
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| 85 | }
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| 86 | /** =========== end of function ====================== */
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