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 | ### 6. (un)select atom by order
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19 |
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20 | AT_SETUP([Selection - atom with specific order])
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21 | AT_KEYWORDS([selection order atom select-atom-by-order])
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22 | # go through all possible orders (0-7) and removed
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23 | i=1
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24 | while test $i -le 8; do
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25 | let id=$i-1
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26 | file=id${id}_missing.xyz
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27 | # normal
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28 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
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29 | AT_CHECK([chmod u+w $file], 0)
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30 | AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order ${i} -r], [], [ignore], [ignore])
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31 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/id${id}_missing.xyz])
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32 | ((i+=1))
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33 | done
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34 | # go through all possible orders (0-7) and removed
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35 | i=1
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36 | while test $i -le 8; do
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37 | let id=8-$i
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38 | file=id${id}_missing.xyz
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39 | # normal
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40 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
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41 | AT_CHECK([chmod u+w $file], 0)
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42 | AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order -${i} -r], [], [ignore], [ignore])
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43 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/id${id}_missing.xyz])
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44 | ((i+=1))
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45 | done
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46 | AT_CLEANUP
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47 |
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48 |
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49 | AT_SETUP([Selection - atom with specific order with Undo])
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50 | AT_KEYWORDS([selection order atom select-atom-by-order undo])
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51 | # go through all possible ids (0-7) and removed
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52 | i=1
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53 | while test $i -le 8; do
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54 | let id=$i-1
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55 | file=id${id}_missing.xyz
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56 | # undo
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57 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
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58 | AT_CHECK([chmod u+w $file], 0)
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59 | AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order ${i} --undo -r], [], [ignore], [ignore])
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60 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/test-undo.xyz])
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61 | ((i+=1))
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62 | done
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63 | # go reverse through all possible ids (0-7) and removed
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64 | i=1
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65 | while test $i -le 8; do
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66 | let id=8-$i
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67 | file=id${id}_missing.xyz
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68 | # undo
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69 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
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70 | AT_CHECK([chmod u+w $file], 0)
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71 | AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order -${i} --undo -r], [], [ignore], [ignore])
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72 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/test-undo.xyz])
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73 | ((i+=1))
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74 | done
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75 | AT_CLEANUP
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76 |
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77 |
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78 | AT_SETUP([Selection - atom with specific order with Redo])
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79 | AT_KEYWORDS([selection order atom select-atom-by-order redo])
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80 | # go through all possible ids (0-7) and removed
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81 | i=1
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82 | while test $i -le 8; do
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83 | let id=$i-1
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84 | file=id${id}_missing.xyz
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85 | # redo
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86 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
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87 | AT_CHECK([chmod u+w $file], 0)
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88 | AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order ${i} --undo --redo -r], [], [ignore], [ignore])
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89 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/id${id}_missing.xyz])
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90 | ((i+=1))
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91 | done
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92 | # go reverse through all possible ids (0-7) and removed
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93 | i=1
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94 | while test $i -le 8; do
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95 | let id=8-$i
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96 | file=id${id}_missing.xyz
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97 | # redo
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98 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
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99 | AT_CHECK([chmod u+w $file], 0)
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100 | AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order -${i} --undo --redo -r], [], [ignore], [ignore])
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101 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/id${id}_missing.xyz])
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102 | ((i+=1))
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103 | done
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104 | AT_CLEANUP
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