# # 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 . # ### filling various shapes AT_SETUP([Filling - filling cylinder's volume]) AT_KEYWORDS([filling fill-volume cylinder]) file=water_cylinder.xyz AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) AT_CHECK([ ../../molecuilder \ -i $file \ -o xyz \ -l water.xyz \ --select-all-molecules \ --create-shape \ --shape-name "cylinder" \ --shape-type cylinder \ --translation 5,5,5 \ --stretch 3,3,3 \ --select-shape-by-name "cylinder" \ --fill-volume \ --count 12], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Filling - filling cylinder's volume with undo]) AT_KEYWORDS([filling fill-volume cylinder undo]) file=water_cylinder.xyz AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) AT_CHECK([ ../../molecuilder \ -i $file \ -o xyz \ -l water.xyz \ --select-all-molecules \ --create-shape \ --shape-name "cylinder" \ --shape-type cylinder \ --translation 5,5,5 \ --stretch 3,3,3 \ --select-shape-by-name "cylinder" \ --fill-volume \ --count 12 \ --undo], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/water_undo.xyz], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Filling - filling cylinder's volume with redo]) AT_KEYWORDS([filling fill-volume cylinder undo redo]) file=water_cylinder.xyz AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) AT_CHECK([ ../../molecuilder \ -i $file \ -o xyz \ -l water.xyz \ --select-all-molecules \ --create-shape \ --shape-name "cylinder" \ --shape-type cylinder \ --translation 5,5,5 \ --stretch 3,3,3 \ --select-shape-by-name "cylinder" \ --fill-volume \ --count 12 \ --undo \ --redo], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore]) AT_CLEANUP