| [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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| 55 | Action::state_ptr ParserParseTremoloPotentialsAction::performCall() {
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| 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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| 76 | Action::state_ptr ParserParseTremoloPotentialsAction::performUndo(Action::state_ptr _state) {
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| 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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| 83 | // return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
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| 84 | }
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| 85 |
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| 86 | Action::state_ptr ParserParseTremoloPotentialsAction::performRedo(Action::state_ptr _state){
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| 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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