# # 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 everywhere's surface AT_SETUP([Filling - Fill everywhere's surface fails]) AT_KEYWORDS([filling fill-surface everywhere rotate-to-principal-axis-system]) file=water_everywhere.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 "everywhere1" \ --shape-type "everywhere" \ --translation "0,0,0" \ --stretch "20.,20.,20." \ --select-shape-by-name "everywhere1" \ --fill-surface \ --count 20 \ --min-distance 3.1 \ --Alignment-Axis "0,0,1" ], 5, [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