source: tests/regression/Filling/FillSurface/testsuite-fill-surface-sphere.at@ 1ca493a

#
#    MoleCuilder - creates and alters molecular systems
#    Copyright (C) 2014 Frederik Heber
#
#    This program is free software: you can redistribute it and/or modify
#    it under the terms of the GNU General Public License as published by
#    the Free Software Foundation, either version 3 of the License, or
#    (at your option) any later version.
#
#    This program is distributed in the hope that it will be useful,
#    but WITHOUT ANY WARRANTY; without even the implied warranty of
#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
#    GNU General Public License for more details.
#
#    You should have received a copy of the GNU General Public License
#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
#
### filling sphere's surface

AT_SETUP([Filling - Fill sphere's surface])
AT_KEYWORDS([filling fill-surface sphere rotate-to-principal-axis-system])

file=water_sphere.xyz
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
AT_CHECK([chmod u+w water.xyz], 0)
AT_CHECK([../../molecuilder \
        -i $file \
        -l water.xyz \
        --select-all-molecules \
        --rotate-to-principal-axis-system "0,0,-1" \
        --create-shape \
                --shape-name "sphere1" \
                --shape-type "sphere" \
                --translation "10,10,10" \
                --stretch "5.,5.,5." \
        --select-shape-by-name "sphere1" \
        --fill-surface \
                --count 20 \
                --min-distance 3.1 \
                --Alignment-Axis "0,0,-1"], 0, [stdout], [stderr])
AT_CHECK([grep "20 out of 20 returned true from predicate" stdout], 0, [ignore], [ignore])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Filling - Fill sphere's surface with Undo])
AT_KEYWORDS([filling fill-surface sphere rotate-to-principal-axis-system undo])

file=water_undo.xyz
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
AT_CHECK([chmod u+w water.xyz], 0)
AT_CHECK([../../molecuilder \
        -i $file \
        -l water.xyz \
        --select-all-molecules \
        --rotate-to-principal-axis-system "0,0,-1" \
        --create-shape \
                --shape-name "sphere1" \
                --shape-type "sphere" \
                --translation "10,10,10" \
                --stretch "5.,5.,5." \
        --select-shape-by-name "sphere1" \
        --fill-surface \
                --count 20 \
                --min-distance 3.1 \
                --Alignment-Axis "0,0,-1" \
        --undo], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Filling - Fill sphere's surface with Redo])
AT_KEYWORDS([filling fill-surface sphere rotate-to-principal-axis-system redo])

file=water_sphere.xyz
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
AT_CHECK([chmod u+w water.xyz], 0)
AT_CHECK([../../molecuilder \
        -i $file \
        -l water.xyz \
        --select-all-molecules \
        --rotate-to-principal-axis-system "0,0,-1" \
        --create-shape \
                --shape-name "sphere1" \
                --shape-type "sphere" \
                --translation "10,10,10" \
                --stretch "5.,5.,5." \
        --select-shape-by-name "sphere1" \
        --fill-surface \
                --count 20 \
                --min-distance 3.1 \
                --Alignment-Axis "0,0,-1" \
        --undo \
        --redo], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])

AT_CLEANUP