| [6253ed] | 1 | # | 
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|  | 2 | #    MoleCuilder - creates and alters molecular systems | 
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|  | 3 | #    Copyright (C) 2008-2012 University of Bonn | 
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| [73a5f7] | 4 | #    Copyright (C) 2013-2016 Frederik Heber | 
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| [6253ed] | 5 | # | 
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|  | 6 | #    This program is free software: you can redistribute it and/or modify | 
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|  | 7 | #    it under the terms of the GNU General Public License as published by | 
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|  | 8 | #    the Free Software Foundation, either version 3 of the License, or | 
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|  | 9 | #    (at your option) any later version. | 
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|  | 10 | # | 
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|  | 11 | #    This program is distributed in the hope that it will be useful, | 
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|  | 12 | #    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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|  | 13 | #    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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|  | 14 | #    GNU General Public License for more details. | 
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|  | 15 | # | 
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|  | 16 | #    You should have received a copy of the GNU General Public License | 
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|  | 17 | #    along with this program.  If not, see <http://www.gnu.org/licenses/>. | 
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|  | 18 | # | 
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| [c8446c] | 19 | AT_BANNER([MoleCuilder - fragmentation tests]) | 
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| [17f3cd] | 20 |  | 
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| [c8446c] | 21 | # check fragmentation | 
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| [7811bf] | 22 | m4_include([Fragmentation/FragmentMolecule/testsuite-fragmentation-fragment-molecule.at]) | 
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| [17f3cd] | 23 |  | 
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| [55e1bc] | 24 | # check analysis | 
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|  | 25 | m4_include([Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at]) | 
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|  | 26 |  | 
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| [7811bf] | 27 | # check whether parsing of BondFragment files and re-rwriting config files is working (exit code is 2 as we don't need to continue wrt to ...OrderAtSite) | 
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|  | 28 | m4_include([Fragmentation/FragmentMolecule-MaxOrder/testsuite-fragmentation-fragment-molecule-maxorder.at]) | 
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| [5589e7e] | 29 |  | 
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|  | 30 | # check storing saturated fragment | 
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|  | 31 | m4_include([Fragmentation/StoreSaturatedFragment/testsuite-fragmentation-store-saturated-fragment.at]) | 
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| [a61dbb] | 32 |  | 
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| [9a1e099] | 33 | # check whether helper program works | 
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|  | 34 | m4_include([Fragmentation/DiffFragmentResultContainer/testsuite-fragmentation-difffragmenresultcontainer.at]) | 
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|  | 35 |  | 
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| [a61dbb] | 36 | # check automation | 
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| [73a5f7] | 37 | m4_include([Fragmentation/FragmentationAutomation/testsuite-fragmentation-fragmentation-automation.at]) | 
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|  | 38 |  | 
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|  | 39 | # parse/save state of FragmentationResultsContainer | 
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|  | 40 | m4_include([Fragmentation/ParseSaveFragmentResults/testsuite-fragmentation-parse-save-fragment-results.at]) | 
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