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testsuite-graph-create-adjacency.at@ b10593

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Last change on this file since b10593 was 5aaa43, checked in by Frederik Heber <heber@…>, 12 years ago

FIX: Fixed new copyright line since start of 2013 in CodeChecks test.

we must look for either Uni Bonn or myself.
added second copyright line since from 1st of Jan 2013 I am not employed by University of Bonn anymore, hence changes to the code are my own copyright.

Property mode set to 100644

File size: 3.6 KB

Rev	Line
[055ad7]	1	#
	2	# MoleCuilder - creates and alters molecular systems
	3	# Copyright (C) 2008-2012 University of Bonn
[5aaa43]	4	# Copyright (C) 2013 Frederik Heber
[055ad7]	5	#
	6	# This program is free software: you can redistribute it and/or modify
	7	# it under the terms of the GNU General Public License as published by
	8	# the Free Software Foundation, either version 3 of the License, or
	9	# (at your option) any later version.
	10	#
	11	# This program is distributed in the hope that it will be useful,
	12	# but WITHOUT ANY WARRANTY; without even the implied warranty of
	13	# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
	14	# GNU General Public License for more details.
	15	#
	16	# You should have received a copy of the GNU General Public License
	17	# along with this program. If not, see <http://www.gnu.org/licenses/>.
	18	#
	19	### create adjacency
	20
	21	AT_SETUP([Graph - create adjacency])
	22	AT_KEYWORDS([graph create-adjacency])
	23
	24	file=ethane.xyz
	25	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/CreateAdjacency/pre/ethane.xyz $file], 0)
	26	AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
	27	AT_CHECK([../../molecuilder -i $file -o pdb --select-all-atoms --create-adjacency], 0, [stdout], [stderr])
	28	AT_CHECK([fgrep "I detected 7 bonds in the molecule" stdout], 0, [ignore], [ignore])
	29	AT_CHECK([fgrep "CONECT" ethane.pdb], 0, [stdout], [ignore])
	30	AT_CHECK([fgrep "8" stdout], 0, [stdout], [ignore])
	31
	32	file=ethane-half.xyz
	33	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/CreateAdjacency/pre/ethane.xyz $file], 0)
	34	AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
	35	AT_CHECK([../../molecuilder -i $file -o pdb --select-atom-by-element 6 --create-adjacency], 0, [stdout], [stderr])
	36	AT_CHECK([fgrep "CONECT" ethane.pdb], 0, [stdout], [ignore])
	37	AT_CHECK([fgrep "1" stdout], 0, [stdout], [ignore])
	38
	39	AT_CLEANUP
	40
	41
	42	AT_SETUP([Graph - create adjacency with Undo])
	43	AT_KEYWORDS([graph create-adjacency undo])
	44
	45	file=ethane.xyz
	46	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/CreateAdjacency/pre/ethane.xyz $file], 0)
	47	AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
	48	AT_CHECK([../../molecuilder -i $file -o pdb --select-all-atoms --create-adjacency --undo], 0, [stdout], [stderr])
	49	AT_CHECK([fgrep "I detected 7 bonds in the molecule" stdout], 0, [ignore], [ignore])
	50	AT_CHECK([fgrep "CONECT" ethane.pdb], 1, [ignore], [ignore])
	51
	52	file=ethane-half.xyz
	53	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/CreateAdjacency/pre/ethane.xyz $file], 0)
	54	AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
	55	AT_CHECK([../../molecuilder -i $file -o pdb --select-atom-by-element 6 --create-adjacency --undo], 0, [stdout], [stderr])
	56	AT_CHECK([fgrep "CONECT" ethane.pdb], 1, [ignore], [ignore])
	57
	58	AT_CLEANUP
	59
	60
	61	AT_SETUP([Graph - create adjacency with Redo])
	62	AT_KEYWORDS([graph create-adjacency redo])
	63
	64	file=ethane.xyz
	65	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/CreateAdjacency/pre/ethane.xyz $file], 0)
	66	AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
	67	AT_CHECK([../../molecuilder -i $file -o pdb --select-all-atoms --create-adjacency --undo --redo], 0, [stdout], [stderr])
	68	AT_CHECK([fgrep "I detected 7 bonds in the molecule" stdout], 0, [ignore], [ignore])
	69	AT_CHECK([fgrep "CONECT" ethane.pdb], 0, [stdout], [ignore])
	70	AT_CHECK([fgrep "8" stdout], 0, [stdout], [ignore])
	71
	72	file=ethane-half.xyz
	73	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/CreateAdjacency/pre/ethane.xyz $file], 0)
	74	AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
	75	AT_CHECK([../../molecuilder -i $file -o pdb --select-atom-by-element 6 --create-adjacency --undo --redo], 0, [stdout], [stderr])
	76	AT_CHECK([fgrep "CONECT" ethane.pdb], 0, [stdout], [ignore])
	77	AT_CHECK([fgrep "1" stdout], 0, [stdout], [ignore])
	78
	79	AT_CLEANUP

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