### parsing tremolo AT_SETUP([Parser - parse potentials file]) AT_KEYWORDS([parser,tremolo,potentials]) AT_CHECK([/bin/cp ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Tremolo-Potentials/pre/argon.potentials .], 0, [ignore], [ignore]) AT_CHECK([../../molecuilder -v 2 --parse-tremolo-potentials argon.potentials], 0, [stdout], [ignore]) AT_CHECK([grep "Added Type Argon as reference to element Ar" stdout], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Parser - load tremolo file with potentials]) AT_KEYWORDS([parser,tremolo,load,potentials]) AT_CHECK([/bin/cp ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Tremolo-Potentials/pre/argon.* .], 0, [ignore], [ignore]) AT_CHECK([../../molecuilder -v 2 --parse-tremolo-potentials argon.potentials -i argon.data], 0, [stdout], [ignore]) AT_CHECK([grep "Chemical formula is Ar2" stdout], 0, [ignore], [ignore]) AT_CHECK([file=argon.data; diff -w -I '#.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Tremolo-Potentials/post/$file], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Parser - saving tremolo file from loaded xyz file with potentials]) AT_KEYWORDS([parser,tremolo,save,potentials]) AT_CHECK([../../molecuilder -v 2 --parse-tremolo-potentials argon.potentials -i test.data -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Tremolo-Potentials/pre/test.xyz], 0, [ignore], [ignore]) AT_CHECK([file=test.data; diff -w -I '#.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Tremolo-Potentials/post/$file], 0, [ignore], [ignore]) AT_CLEANUP