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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4 | #
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5 | # This program is free software: you can redistribute it and/or modify
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6 | # it under the terms of the GNU General Public License as published by
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7 | # the Free Software Foundation, either version 3 of the License, or
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8 | # (at your option) any later version.
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9 | #
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10 | # This program is distributed in the hope that it will be useful,
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11 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
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12 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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13 | # GNU General Public License for more details.
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14 | #
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15 | # You should have received a copy of the GNU General Public License
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16 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
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17 | #
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18 | #
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19 | # MoleCuilder - creates and alters molecular systems
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20 | # Copyright (C) 2008-2012 University of Bonn
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21 | #
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22 | # This program is free software: you can redistribute it and/or modify
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23 | # it under the terms of the GNU General Public License as published by
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24 | # the Free Software Foundation, either version 3 of the License, or
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25 | # (at your option) any later version.
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26 | #
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27 | # This program is distributed in the hope that it will be useful,
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28 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
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29 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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30 | # GNU General Public License for more details.
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31 | #
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32 | # You should have received a copy of the GNU General Public License
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33 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
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34 | #
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35 | ### parsing pdb
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36 |
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37 | AT_SETUP([Parser - loading pdb file with multiple time steps])
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38 | AT_KEYWORDS([parser load pdb timesteps])
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39 |
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40 | AT_CHECK([../../molecuilder -v 4 -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti.pdb], 0, [ignore], [ignore])
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41 | AT_CHECK([file=testmulti.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/testmulti.pdb], 0, [ignore], [ignore])
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42 | AT_CHECK([../../molecuilder -v 4 -i testmulti2.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti2.pdb], 0, [ignore], [ignore])
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43 | AT_CHECK([file=testmulti2.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/testmulti2.pdb], 0, [ignore], [ignore])
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44 |
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45 | AT_CLEANUP
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46 |
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47 |
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48 | AT_SETUP([Parser - loading pdb file with multiple time steps with Undo])
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49 | AT_KEYWORDS([parser load pdb timesteps undo])
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50 |
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51 | AT_CHECK([../../molecuilder -v 4 -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti.pdb --undo], 0, [ignore], [ignore])
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52 | AT_CHECK([file=testmulti.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/empty.pdb], 0, [ignore], [ignore])
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53 | AT_CHECK([../../molecuilder -v 4 -i testmulti2.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti2.pdb --undo], 0, [ignore], [ignore])
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54 | AT_CHECK([file=testmulti2.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/empty.pdb], 0, [ignore], [ignore])
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55 |
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56 | AT_CLEANUP
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57 |
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58 |
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59 | AT_SETUP([Parser - loading pdb file with multiple time steps with Redo])
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60 | AT_KEYWORDS([parser load pdb timesteps redo])
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61 |
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62 | AT_CHECK([../../molecuilder -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti.pdb --undo --redo], 0, [ignore], [ignore])
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63 | AT_CHECK([file=testmulti.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/testmulti.pdb], 0, [ignore], [ignore])
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64 | AT_CHECK([../../molecuilder -i testmulti2.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti2.pdb --undo --redo], 0, [ignore], [ignore])
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65 | AT_CHECK([file=testmulti2.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/testmulti2.pdb], 0, [ignore], [ignore])
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66 |
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67 | AT_CLEANUP
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