### parsing xyz

AT_SETUP([Parser - loading xyz file])
AT_KEYWORDS([parser,xyz])
AT_CHECK([../../molecuilder -i test.xyz -o xyz -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/pre/test.xyz], 0, [ignore], [ignore])
AT_CHECK([file=test.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/post/$file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder -i testmulti.xyz -o xyz -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/pre/testmulti.xyz], 0, [ignore], [ignore])
AT_CHECK([file=testmulti.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/post/$file], 0, [ignore], [ignore])
AT_CLEANUP

AT_SETUP([Parser - saving xyz file])
AT_KEYWORDS([parser,xyz])
AT_CHECK([../../molecuilder -i test.xyz  -o xyz -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/pre/test.xyz --output store.xyz], 0, [ignore], [ignore])
AT_CHECK([diff -I '.*Created by molecuilder.*' store.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/post/test.xyz], 0, [ignore], [ignore])
AT_CLEANUP