| [bcf653] | 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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| [bcf653] | 21 | */ | 
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|  | 22 |  | 
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| [4f7f34e] | 23 | /* | 
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|  | 24 | * InputAction.cpp | 
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|  | 25 | * | 
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|  | 26 | *  Created on: May 8, 2010 | 
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|  | 27 | *      Author: heber | 
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|  | 28 | */ | 
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|  | 29 |  | 
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| [bf3817] | 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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| [ad011c] | 35 | #include "CodePatterns/MemDebug.hpp" | 
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| [4f7f34e] | 36 |  | 
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| [ad011c] | 37 | #include "CodePatterns/Log.hpp" | 
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| [2affd1] | 38 |  | 
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|  | 39 | #include "Descriptors/MoleculeOrderDescriptor.hpp" | 
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| [4f7f34e] | 40 | #include "molecule.hpp" | 
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| [7e1a88] | 41 | #include "Parser/Exceptions.hpp" | 
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| [4f7f34e] | 42 | #include "Parser/FormatParserStorage.hpp" | 
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| [ad011c] | 43 | #include "CodePatterns/Verbose.hpp" | 
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| [4f7f34e] | 44 | #include "World.hpp" | 
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|  | 45 |  | 
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|  | 46 | #include <iostream> | 
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|  | 47 | #include <string> | 
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|  | 48 |  | 
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| [6f5dfe] | 49 | #include <boost/filesystem/fstream.hpp> | 
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|  | 50 |  | 
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| [1fd675] | 51 | #include "Actions/WorldAction/InputAction.hpp" | 
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| [7882e9] | 52 |  | 
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| [ce7fdc] | 53 | using namespace MoleCuilder; | 
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|  | 54 |  | 
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| [1fd675] | 55 | // and construct the stuff | 
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|  | 56 | #include "InputAction.def" | 
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|  | 57 | #include "Action_impl_pre.hpp" | 
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|  | 58 | /** =========== define the function ====================== */ | 
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| [b5b01e] | 59 | ActionState::ptr WorldInputAction::performCall() { | 
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| [6f5dfe] | 60 | boost::filesystem::ifstream test; | 
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| [091838] | 61 | FormatParserStorage &parsers = FormatParserStorage::getInstance(); | 
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| [4f7f34e] | 62 |  | 
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| [f10b0c] | 63 | LOG(0, "Config file given " << params.filename.get() << "."); | 
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| [bd2390] | 64 | // using the filename as prefix for all parsers | 
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|  | 65 | std::string FilenameSuffix; | 
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|  | 66 | std::string FilenamePrefix; | 
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| [f10b0c] | 67 | if (params.filename.get().has_filename()) { | 
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| [bd2390] | 68 | // get suffix | 
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| [f10b0c] | 69 | FilenameSuffix = params.filename.get().extension().string().substr(1); // remove the prefixed "." | 
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|  | 70 | FilenamePrefix = params.filename.get().stem().string(); | 
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| [47d041] | 71 | LOG(1, "Setting config file name prefix to " << FilenamePrefix << "."); | 
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| [091838] | 72 | parsers.SetOutputPrefixForAll(FilenamePrefix); | 
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| [bd2390] | 73 | } else { | 
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| [26b4d62] | 74 | STATUS("Input file does not have a suffix, cannot recognize format."); | 
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| [bd2390] | 75 | return Action::failure; | 
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|  | 76 | } | 
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|  | 77 |  | 
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|  | 78 | // parsing file if present | 
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| [f10b0c] | 79 | if (!boost::filesystem::exists(params.filename.get())) { | 
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|  | 80 | LOG(1, "Specified config file " << params.filename.get() << " not found."); | 
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| [bd2390] | 81 | // DONT FAIL: it's just empty and we use the name. // return Action::failure; | 
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| [091838] | 82 | // nonetheless, add to output formats | 
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|  | 83 | parsers.setOutputFormat( parsers.getTypeFromSuffix(FilenameSuffix) ); | 
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| [6f5dfe] | 84 | } else { | 
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| [47d041] | 85 | LOG(1, "Specified config file found, parsing ... "); | 
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| [bd2390] | 86 |  | 
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|  | 87 | // parse the file | 
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| [f10b0c] | 88 | test.open(params.filename.get()); | 
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| [7e1a88] | 89 | try { | 
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|  | 90 | parsers.load(test, FilenameSuffix); | 
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|  | 91 | } catch(ParserException &e) { | 
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|  | 92 | ELOG(1, "Could not parse the given file."); | 
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|  | 93 | STATUS("LoadAction failed"); | 
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|  | 94 | return Action::failure; | 
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|  | 95 | } | 
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| [091838] | 96 | parsers.setOutputFormat( parsers.getTypeFromSuffix(FilenameSuffix) ); | 
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| [bd2390] | 97 | test.close(); | 
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|  | 98 |  | 
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|  | 99 | // set file name of last molecule | 
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| [2affd1] | 100 | molecule * const mol = World::getInstance().getMolecule(MoleculeByOrder(-1)); | 
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|  | 101 | mol->SetNameFromFilename(FilenamePrefix.c_str()); | 
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|  | 102 | LOG(0, "Chemical formula is " << mol->getFormula()); | 
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| [4f7f34e] | 103 | } | 
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| [bd2390] | 104 | return Action::success; | 
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| [4f7f34e] | 105 | } | 
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|  | 106 |  | 
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| [b5b01e] | 107 | ActionState::ptr WorldInputAction::performUndo(ActionState::ptr _state) { | 
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| [4f7f34e] | 108 | //  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get()); | 
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|  | 109 |  | 
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| [26b4d62] | 110 | STATUS("Undo of WorldInputAction not implemented."); | 
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| [4f7f34e] | 111 | return Action::failure; | 
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|  | 112 | //  string newName = state->mol->getName(); | 
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|  | 113 | //  state->mol->setName(state->lastName); | 
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|  | 114 | // | 
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| [b5b01e] | 115 | //  return ActionState::ptr(new ParserLoadXyzState(state->mol,newName)); | 
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| [4f7f34e] | 116 | } | 
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|  | 117 |  | 
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| [b5b01e] | 118 | ActionState::ptr WorldInputAction::performRedo(ActionState::ptr _state){ | 
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| [26b4d62] | 119 | STATUS("Redo of WorldInputAction not implemented."); | 
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| [4f7f34e] | 120 | return Action::failure; | 
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|  | 121 | } | 
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|  | 122 |  | 
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|  | 123 | bool WorldInputAction::canUndo() { | 
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|  | 124 | return false; | 
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|  | 125 | } | 
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|  | 126 |  | 
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|  | 127 | bool WorldInputAction::shouldUndo() { | 
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|  | 128 | return false; | 
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|  | 129 | } | 
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| [1fd675] | 130 | /** =========== end of function ====================== */ | 
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