1 | #
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2 | # MoleCuilder - creates and alters molecular systems
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3 | # Copyright (C) 2014 Frederik Heber
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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 | ### filling various shapes
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19 |
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20 | AT_SETUP([Filling - filling cylinder's volume])
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21 | AT_KEYWORDS([filling fill-volume cylinder])
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22 |
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23 | file=water_cylinder.xyz
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24 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0)
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25 | AT_CHECK([
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26 | ../../molecuilder \
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27 | -i $file \
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28 | -o xyz \
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29 | -l water.xyz \
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30 | --select-all-molecules \
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31 | --create-shape \
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32 | --shape-name "cylinder" \
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33 | --shape-type cylinder \
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34 | --translation 5,5,5 \
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35 | --stretch 3,3,3 \
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36 | --select-shape-by-name "cylinder" \
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37 | --fill-volume \
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38 | --count 12], 0, [stdout], [stderr])
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39 | AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore])
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40 |
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41 | AT_CLEANUP
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42 |
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43 |
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44 | AT_SETUP([Filling - filling cylinder's volume with undo])
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45 | AT_KEYWORDS([filling fill-volume cylinder undo])
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46 |
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47 | file=water_cylinder.xyz
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48 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0)
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49 | AT_CHECK([
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50 | ../../molecuilder \
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51 | -i $file \
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52 | -o xyz \
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53 | -l water.xyz \
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54 | --select-all-molecules \
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55 | --create-shape \
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56 | --shape-name "cylinder" \
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57 | --shape-type cylinder \
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58 | --translation 5,5,5 \
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59 | --stretch 3,3,3 \
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60 | --select-shape-by-name "cylinder" \
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61 | --fill-volume \
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62 | --count 12 \
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63 | --undo], 0, [stdout], [stderr])
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64 | AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/water_undo.xyz], 0, [ignore], [ignore])
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65 |
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66 | AT_CLEANUP
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67 |
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68 |
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69 | AT_SETUP([Filling - filling cylinder's volume with redo])
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70 | AT_KEYWORDS([filling fill-volume cylinder undo redo])
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71 |
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72 | file=water_cylinder.xyz
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73 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0)
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74 | AT_CHECK([
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75 | ../../molecuilder \
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76 | -i $file \
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77 | -o xyz \
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78 | -l water.xyz \
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79 | --select-all-molecules \
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80 | --create-shape \
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81 | --shape-name "cylinder" \
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82 | --shape-type cylinder \
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83 | --translation 5,5,5 \
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84 | --stretch 3,3,3 \
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85 | --select-shape-by-name "cylinder" \
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86 | --fill-volume \
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87 | --count 12 \
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88 | --undo \
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89 | --redo], 0, [stdout], [stderr])
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90 | AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore])
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91 |
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92 | AT_CLEANUP
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