| Last change
 on this file since 7305d5 was             cc6e5c, checked in by Frederik Heber <heber@…>, 11 years ago | 
        
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Replaced Reactions by simple function exported to pyMoleCuilder.
 Reactions are a bad idea from the start, calculations do not need to be
undone. Hence, why make them into an Action that is specifically undoable?
removed all Reaction..-related files.
removed ActinQueue::getLastAction().
removed CalculateBoundingBoxAction, CalculateCellVolumeAction, and
CalculateMolarMassAction, replaced by small function in Python folder.
TESTFIX: removed associated regression tests in Analysis.
modified boxmaker.py.in as names of functions changed.
removed Actions/pyMoleCuilder.cpp, is redunant with PythonScripting_impl.hpp.
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          | File size:
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| 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)  2013 Frederik Heber. All rights reserved. | 
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| 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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| 21 | */ | 
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| 22 |  | 
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| 23 | /* | 
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| 24 | * reinit.cpp | 
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| 25 | * | 
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| 26 | *  Created on: Sep 28, 2013 | 
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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 "modules.hpp" | 
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| 38 |  | 
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| 39 | #include <iostream> | 
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| 40 |  | 
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| 41 | #include "cleanUp.hpp" | 
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| 42 |  | 
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| 43 | void MoleCuilder::detail::module_reinit() | 
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| 44 | { | 
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| 45 | // save everything | 
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| 46 | std::cout << "Saving." << std::endl; | 
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| 47 | saveAll(); | 
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| 48 | // purge everything | 
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| 49 | std::cout << "Cleaning static instances from memory." << std::endl; | 
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| 50 | purgeStaticInstances(); | 
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| 51 | // need to init the history before any action is created | 
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| 52 | std::cout << "Reinitializing." << std::endl; | 
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| 53 | } | 
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