def conformer_leaf(cid):
""" torsion conformer leaf directory name
"""
assert cid[0] == 'c', (f'cid {cid} does not start with c')
assert _is_random_string_identifier(cid[1:])
return cid
def conformer_leaf(cid):
""" torsion conformer leaf directory name
"""
# assert rid[0] == 'r', (
# 'rid {} does not start with r'.format(rid))
# assert _is_random_string_identifier(rid[1:])
assert cid[0] == 'c', ('cid {} does not start with c'.format(cid))
assert _is_random_string_identifier(cid[1:])
# return os.path.join(rid, cid)
return cid
def tau_leaf(tid):
""" tau leaf directory name
"""
assert tid[0] == 't'
assert _is_random_string_identifier(tid[1:])
return tid
def conformer_leaf(cid):
""" conformer leaf directory name
"""
assert cid[0] == 'c', ('cid {} does not start with c'.format(cid))
assert _is_random_string_identifier(cid[1:])
return cid
def conformer_branch(rid):
""" ring conformer leaf directory name
"""
assert rid[0] == 'r', (f'rid {rid} does not start with r')
assert _is_random_string_identifier(rid[1:])
return rid
