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