| 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 cube's surface
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| 19 |
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| 20 | AT_SETUP([Filling - Fill cube's surface])
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| 21 | AT_KEYWORDS([filling fill-surface cube rotate-to-principal-axis-system])
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| 22 |
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| 23 | file=water_cube.xyz
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| 24 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
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| 25 | AT_CHECK([chmod u+w water.xyz], 0)
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| 26 | AT_CHECK([../../molecuilder \
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| 27 | -i $file \
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| 28 | -l water.xyz \
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| 29 | --select-all-molecules \
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| 30 | --rotate-to-principal-axis-system "0,0,-1" \
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| 31 | --create-shape \
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| 32 | --shape-name "cube1" \
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| 33 | --shape-type "cube" \
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| 34 | --translation "10,10,10" \
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| 35 | --stretch "5.,5.,5." \
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| 36 | --select-shape-by-name "cube1" \
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| 37 | --fill-surface \
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| 38 | --count 20 \
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| 39 | --min-distance 3.1 \
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| 40 | --Alignment-Axis "0,0,-1"], 0, [stdout], [stderr])
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| 41 | AT_CHECK([grep "26 out of 26 returned true from predicate" stdout], 0, [ignore], [ignore])
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| 42 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])
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| 43 |
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| 44 | AT_CLEANUP
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| 45 |
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| 46 |
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| 47 | AT_SETUP([Filling - Fill cube's surface with Undo])
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| 48 | AT_KEYWORDS([filling fill-surface cube rotate-to-principal-axis-system undo])
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| 49 |
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| 50 | file=water_undo.xyz
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| 51 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
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| 52 | AT_CHECK([chmod u+w water.xyz], 0)
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| 53 | AT_CHECK([../../molecuilder \
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| 54 | -i $file \
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| 55 | -l water.xyz \
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| 56 | --select-all-molecules \
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| 57 | --rotate-to-principal-axis-system "0,0,-1" \
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| 58 | --create-shape \
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| 59 | --shape-name "cube1" \
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| 60 | --shape-type "cube" \
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| 61 | --translation "10,10,10" \
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| 62 | --stretch "5.,5.,5." \
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| 63 | --select-shape-by-name "cube1" \
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| 64 | --fill-surface \
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| 65 | --count 20 \
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| 66 | --min-distance 3.1 \
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| 67 | --Alignment-Axis "0,0,-1" \
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| 68 | --undo], 0, [stdout], [stderr])
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| 69 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])
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| 70 |
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| 71 | AT_CLEANUP
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| 72 |
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| 73 |
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| 74 | AT_SETUP([Filling - Fill cube's surface with Redo])
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| 75 | AT_KEYWORDS([filling fill-surface cube rotate-to-principal-axis-system redo])
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| 76 |
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| 77 | file=water_cube.xyz
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| 78 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
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| 79 | AT_CHECK([chmod u+w water.xyz], 0)
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| 80 | AT_CHECK([../../molecuilder \
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| 81 | -i $file \
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| 82 | -l water.xyz \
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| 83 | --select-all-molecules \
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| 84 | --rotate-to-principal-axis-system "0,0,-1" \
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| 85 | --create-shape \
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| 86 | --shape-name "cube1" \
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| 87 | --shape-type "cube" \
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| 88 | --translation "10,10,10" \
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| 89 | --stretch "5.,5.,5." \
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| 90 | --select-shape-by-name "cube1" \
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| 91 | --fill-surface \
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| 92 | --count 20 \
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| 93 | --min-distance 3.1 \
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| 94 | --Alignment-Axis "0,0,-1" \
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| 95 | --undo \
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| 96 | --redo], 0, [stdout], [stderr])
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| 97 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])
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| 98 |
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| 99 | AT_CLEANUP
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