Changes in tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-select-molecules-by-formula.at [23958d:e611dc]
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-select-molecules-by-formula.at
r23958d re611dc 35 35 AT_KEYWORDS([selection molecule select-molecules-by-formula undo]) 36 36 37 comparisonfile=empty.xyz38 37 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 39 38 srcfile=mix.xyz 40 39 testfile=test.xyz 41 targetfile=empty 1.xyz40 targetfile=empty.xyz 42 41 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 43 42 AT_CHECK([../../molecuilder -i $testfile -I --select-molecules-by-formula H2O --undo -s $targetfile], 0, [stdout], [stderr]) 44 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$ comparisonfile], 0, [ignore], [ignore])43 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 45 44 46 45 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 47 46 srcfile=mix.xyz 48 47 testfile=test.xyz 49 targetfile=empty 2.xyz48 targetfile=empty.xyz 50 49 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 51 50 AT_CHECK([../../molecuilder -i $testfile -I --select-molecules-by-formula "C2H5(OH)" --undo -s $targetfile], 0, [stdout], [stderr]) 52 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$ comparisonfile], 0, [ignore], [ignore])51 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 53 52 54 53 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 55 54 srcfile=mix.xyz 56 55 testfile=test.xyz 57 targetfile=empty 3.xyz56 targetfile=empty.xyz 58 57 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 59 58 AT_CHECK([../../molecuilder -i $testfile -I --select-molecules-by-formula C6H6 --undo -s $targetfile], 0, [stdout], [stderr]) 60 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$ comparisonfile], 0, [ignore], [ignore])59 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 61 60 62 61 AT_CLEANUP
Note:
See TracChangeset
for help on using the changeset viewer.
