def id_oBioLi():
if Element("Bz") in formula.consist:
return ""
if len(formula.consist) != 3:
return ""
if chain(skel.value) == "CH2-CH-CH2":
return "oBioLi"
def oHCa_parse(skel: 'Skeleton') -> (int):
val = skel.skeleton
obr = val.find("{-")
cbr = val.find("-}")
cycle = val[obr+2 : cbr]
ch = chain(cycle)
res = ch.count("C")
return res
def oHal_parse(skel: 'Skeleton') -> (int, 'list(tuple(int, str))'):
c = chain(skel.skeleton).count("C")
subst = flatten(skel.subst)
hals = []
for i in range(len(subst)):
if subst[i] in db_Hal:
hals += [(int(i / 4) + 1, subst[i])]
return (c, hals)
def oNNi_parse(skel: 'Skeleton') -> (int, 'list(int)'):
c = chain(skel.skeleton).count("C")
subst = flatten(skel.subst)
ohs = []
for i in range(len(subst)):
if subst[i] == "NOO":
ohs += [int(i / 4) + 1]
return (c, ohs)
def oHAe_parse(skel: 'Skeleton') -> (int, int):
ch = chain(skel.skeleton)
res = ch.count("C")
pos = int((ch.find("=")+1) / 2)
return (res, pos)
def oHAa_parse(skel: 'Skeleton') -> (int):
res = chain(skel.skeleton).count("C")
return res
def oHDi_parse(skel: 'Skeleton') -> (int, int):
ch = chain(skel.skeleton)
res = ch.count("C")
pos1 = int((ch.find("=")+1) / 2)
pos2 = int((ch[pos1*2 : ].find("=") + pos1*2 + 1) / 2)
return (res, (pos1, pos2))
def oNNi_create(alk: 'Skeleton', no2_p=[]) -> (str):
if no2_p == []:
no2_p = [chain(alk.skeleton).count("C")]
subst = [(x, "NO2") for x in no2_p]
res = do_subst(alk, subst)
return res