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testsuite-molecules-change-bond-angle.at@ 98dbee

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Last change on this file since 98dbee was 9f5422, checked in by Frederik Heber <heber@…>, 12 years ago

TESTFIX: ChangeBondAngle unnecessarily (re-)created bond graph.

this re-created the bond structure which changed order of bonds which caused the diff to fail.

Property mode set to 100644

File size: 2.3 KB

Rev	Line
[8b886f]	1	#
	2	# MoleCuilder - creates and alters molecular systems
	3	# Copyright (C) 2008-2012 University of Bonn
	4	#
	5	# This program is free software: you can redistribute it and/or modify
	6	# it under the terms of the GNU General Public License as published by
	7	# the Free Software Foundation, either version 3 of the License, or
	8	# (at your option) any later version.
	9	#
	10	# This program is distributed in the hope that it will be useful,
	11	# but WITHOUT ANY WARRANTY; without even the implied warranty of
	12	# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
	13	# GNU General Public License for more details.
	14	#
	15	# You should have received a copy of the GNU General Public License
	16	# along with this program. If not, see <http://www.gnu.org/licenses/>.
	17	#
	18	### changeing bond
	19
	20	AT_SETUP([Molecules - Changing bond angle])
	21	AT_KEYWORDS([molecules change-bond-angle])
	22	file=water.pdb
	23	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/ChangeBondAngle/pre/$file $file], 0)
	24	AT_CHECK([chmod u+w $file], 0)
[9f5422]	25	AT_CHECK([../../molecuilder -i $file --select-all-atoms --change-bond-angle 90.], 0, [stdout], [stderr])
[8b886f]	26	AT_CHECK([diff -I '.reated by molecuilder.' $file ${abs_top_srcdir}/tests/regression/Molecules/ChangeBondAngle/post/$file], 0, [ignore], [ignore])
	27	AT_CLEANUP
	28
	29	AT_SETUP([Molecules - Changing bond angle with Undo])
	30	AT_KEYWORDS([molecules change-bond-angle undo])
	31	file=water.pdb
	32	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/ChangeBondAngle/pre/$file $file], 0)
	33	AT_CHECK([chmod u+w $file], 0)
[9f5422]	34	AT_CHECK([../../molecuilder -i $file --select-all-atoms --change-bond-angle 90. --undo], 0, [stdout], [stderr])
[8b886f]	35	AT_CHECK([diff -I '.reated by molecuilder.' $file ${abs_top_srcdir}/tests/regression/Molecules/ChangeBondAngle/pre/$file], 0, [ignore], [ignore])
	36	AT_CLEANUP
	37
	38	AT_SETUP([Molecules - Changing bond angle with Redo])
	39	AT_KEYWORDS([molecules change-bond-angle redo])
	40	file=water.pdb
	41	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/ChangeBondAngle/pre/$file $file], 0)
	42	AT_CHECK([chmod u+w $file], 0)
[9f5422]	43	AT_CHECK([../../molecuilder -i $file --select-all-atoms --change-bond-angle 90. --undo --redo], 0, [stdout], [stderr])
[8b886f]	44	AT_CHECK([diff -I '.reated by molecuilder.' $file ${abs_top_srcdir}/tests/regression/Molecules/ChangeBondAngle/post/$file], 0, [ignore], [ignore])
	45	AT_CLEANUP

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