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 everywhere's surface
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19 |
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20 | AT_SETUP([Filling - Fill everywhere's surface fails])
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21 | AT_KEYWORDS([filling fill-surface everywhere rotate-to-principal-axis-system])
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22 |
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23 | file=water_everywhere.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 "everywhere1" \
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33 | --shape-type "everywhere" \
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34 | --translation "0,0,0" \
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35 | --stretch "20.,20.,20." \
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36 | --select-shape-by-name "everywhere1" \
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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"
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41 | ], 5, [stdout], [stderr])
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42 | #AT_CHECK([grep "20 out of 20 returned true from predicate" stdout], 0, [ignore], [ignore])
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43 | #AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])
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44 |
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45 | AT_CLEANUP
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46 |
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