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testsuite-selection-atoms-inside-sphere.at@ e355762

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Last change on this file since e355762 was b9bfa6, checked in by Frederik Heber <heber@…>, 14 years ago

Changed regression testsuite structure of Selection/Atoms and ../Molecules.

all numbered test cases now have meaningful names.
(Un)Selection/Molecule action renames: by-formula and by-name have plural molecules (they can select multiple ones), by-id is singular.
renamed token of AtomAction/RotateAroundOriginByAngleAction: rotate-origin -> rotate-around-origin.
TESTFIX: Analysis/AngularDipoleCorrelation-Empty due to renaming of molecule_s_-by-formula
TESTFIX: Analysis/SurfaceCorrelation due to renaming of molecule_s_-by_formula

Property mode set to 100644

File size: 3.9 KB

Rev	Line
[512f85]	1	### 3. (un)select all atoms inside sphere
	2
	3	AT_SETUP([Selection - All atoms inside sphere])
	4	AT_KEYWORDS([selection,sphere])
	5	file=allatomsoutsidesphere.xyz
[b9bfa6]	6	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
[512f85]	7	AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-sphere 10 --position "10,10,10" -r], 0, [stdout], [stderr])
[b9bfa6]	8	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/post/$file], 0, [ignore], [ignore])
	9	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
[512f85]	10	AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-sphere 10 --position "10,10,10" --undo -r], 0, [stdout], [stderr])
[b9bfa6]	11	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz], 0, [ignore], [ignore])
	12	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
[512f85]	13	AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-sphere 10 --position "10,10,10" --undo --redo -r], 0, [stdout], [stderr])
[b9bfa6]	14	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/post/$file], 0, [ignore], [ignore])
[512f85]	15	# check size of sphere
	16	AT_SKIP_IF([! awk '' < /dev/null]) # check whether awk is there
	17	AT_SKIP_IF([! cat >/dev/null < /dev/null]) # check whether cat is there
	18	AT_SKIP_IF([! wc -l /dev/null]) # check whether wc is there
	19	AT_CHECK([cat < $file \| awk -F" " '{ if (($2-10)($2-10)+($3-10)($3-10)+($4-10)*($4-10) > 100) print $1,$2,$3,$4;}' \| wc -l], 0, [stdout], [ignore])
	20	AT_CHECK([fgrep "507" stdout], 0, [ignore], [ignore])
	21	AT_CHECK([cat < $file \| awk -F" " '{ if (($2-10)($2-10)+($3-10)($3-10)+($4-10)*($4-10) < 100) print $1,$2,$3,$4;}' \| wc -l], 0, [stdout], [ignore])
	22	AT_CHECK([fgrep "0" stdout], 0, [ignore], [ignore])
	23	AT_CLEANUP
	24
	25	AT_SETUP([Unselection - All atoms inside sphere])
	26	AT_KEYWORDS([selection,sphere])
	27	file=allatomsinsidesphere.xyz
[b9bfa6]	28	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
[512f85]	29	AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-sphere 10 --position "10,10,10" -r], 0, [stdout], [stderr])
[b9bfa6]	30	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/post/$file], 0, [ignore], [ignore])
	31	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
[512f85]	32	AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-sphere 10 --position "10,10,10" --undo -r], 0, [stdout], [stderr])
[b9bfa6]	33	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/post/empty.xyz], 0, [ignore], [ignore])
	34	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
[512f85]	35	AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-sphere 10 --position "10,10,10" --undo --redo -r], 0, [stdout], [stderr])
[b9bfa6]	36	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/post/$file], 0, [ignore], [ignore])
[512f85]	37	# check size of sphere
	38	AT_SKIP_IF([! awk '' < /dev/null]) # check whether cat is there
	39	AT_SKIP_IF([! cat >/dev/null < /dev/null]) # check whether awk is there
	40	AT_SKIP_IF([! wc -l /dev/null]) # check whether wc is there
	41	AT_CHECK([cat < $file \| awk -F" " '{ if (($2-10)($2-10)+($3-10)($3-10)+($4-10)*($4-10) > 100) print $1,$2,$3,$4;}' \| wc -l], 0, [stdout], [ignore])
	42	AT_CHECK([fgrep "2" stdout], 0, [ignore], [ignore])
	43	AT_CHECK([cat < $file \| awk -F" " '{ if (($2-10)($2-10)+($3-10)($3-10)+($4-10)*($4-10) < 100) print $1,$2,$3,$4;}' \| wc -l], 0, [stdout], [ignore])
	44	AT_CHECK([fgrep "524" stdout], 0, [ignore], [ignore])
	45	AT_CLEANUP
	46

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