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testsuite-molecules-copy-molecule.at@ d24ef58

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Last change on this file since d24ef58 was 2fe4a5, checked in by Frederik Heber <heber@…>, 9 years ago

TESTFIX: Changed all parse-tremolo-potential calls to parse-particle-parameters.

also in boxmaker.py.in.

Property mode set to 100644

File size: 4.0 KB

Rev	Line
[6253ed]	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	#
[967b3c]	18	### copy molecule
	19
[e69c87]	20	AT_SETUP([Molecules - Copy molecule])
[e611dc]	21	AT_KEYWORDS([molecules copy-molecule])
[23b0c2]	22
	23	file=test-copy.xyz
[7db9bd]	24	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/test.xyz $file], 0)
[23b0c2]	25	AT_CHECK([chmod u+w $file], 0)
[8ea3e7]	26	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 --copy-molecule --position "0,0,10"], 0, [stdout], [stderr])
[7db9bd]	27	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/test-copy.xyz], 0, [ignore], [ignore])
[23b0c2]	28
[e69c87]	29	file=tensid.data
[7db9bd]	30	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.data $file], 0)
	31	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.potentials .], 0)
[e69c87]	32	AT_CHECK([chmod u+w $file], 0)
[2fe4a5]	33	AT_CHECK([../../molecuilder --parse-particle-parameters tensid.potentials -i $file --select-molecule-by-id 0 --copy-molecule --position "0,0,10"], 0, [stdout], [stderr])
[7db9bd]	34	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/tensid.data], 0, [ignore], [ignore])
[e69c87]	35
	36	AT_CLEANUP
	37
	38
	39	AT_SETUP([Molecules - Copy molecule with Undo])
[e611dc]	40	AT_KEYWORDS([molecules copy-molecule undo])
[e69c87]	41
[23b0c2]	42	file=test-copy.xyz
[7db9bd]	43	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/test.xyz $file], 0)
[23b0c2]	44	AT_CHECK([chmod u+w $file], 0)
[8ea3e7]	45	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 --copy-molecule --position "0,0,10" --undo], 0, [stdout], [stderr])
[7db9bd]	46	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/test-undo.xyz], 0, [ignore], [ignore])
[e69c87]	47
	48	file=tensid.data
[7db9bd]	49	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.data $file], 0)
	50	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.potentials .], 0)
[e69c87]	51	AT_CHECK([chmod u+w $file], 0)
[2fe4a5]	52	AT_CHECK([../../molecuilder --parse-particle-parameters tensid.potentials -i $file --select-molecule-by-id 0 --copy-molecule --position "0,0,10" --undo], 0, [stdout], [stderr])
[2034f3]	53	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.data], 0, [ignore], [ignore])
[e69c87]	54
	55	AT_CLEANUP
	56
	57
	58	AT_SETUP([Molecules - Copy molecule with Redo])
[e611dc]	59	AT_KEYWORDS([molecules copy-molecule redo])
[23b0c2]	60
	61	file=test-copy.xyz
[7db9bd]	62	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/test.xyz $file], 0)
[23b0c2]	63	AT_CHECK([chmod u+w $file], 0)
[8ea3e7]	64	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 --copy-molecule --position "0,0,10" --undo --redo], 0, [stdout], [stderr])
[7db9bd]	65	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/test-copy.xyz], 0, [ignore], [ignore])
[23b0c2]	66
	67	file=tensid.data
[7db9bd]	68	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.data $file], 0)
	69	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.potentials .], 0)
[23b0c2]	70	AT_CHECK([chmod u+w $file], 0)
[2fe4a5]	71	AT_CHECK([../../molecuilder --parse-particle-parameters tensid.potentials -i $file --select-molecule-by-id 0 --copy-molecule --position "0,0,10" --undo --redo], 0, [stdout], [stderr])
[7db9bd]	72	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/tensid.data], 0, [ignore], [ignore])
[23b0c2]	73
[967b3c]	74	AT_CLEANUP

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