### parsing pdb

AT_SETUP([Parser - loading various pdb files])
AT_KEYWORDS([parser load pdb])

# testosterone.pdb
file=testosterone.pdb
AT_CHECK([../../molecuilder -i $file -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/$file], 0, [ignore], [ignore])
AT_CHECK([diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/$file], 0, [ignore], [ignore])

# tensid.pdb: CONECT entries with 5 digits
file=tensid.pdb
AT_CHECK([../../molecuilder -i $file -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/$file], 0, [ignore], [stderr])
AT_CHECK([grep "Unknown token.*CONECT" stderr], 1, [ignore], [ignore])
AT_CHECK([diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/$file], 0, [ignore], [ignore])

AT_CLEANUP