Подумайте об использовании dict of dicts.
#!/usr/bin/env python
import re
import pprint
raw = """'01bpar( 2)= 0.23103878E-01 half_life= 0.3000133E+02 relax_time= 0.4328278E+02',
'01bpar( 3)= 0.00000000E+00',
'02epar( 1)= 0.49998963E+02',
'02epar( 2)= 0.23103878E-01 half_life= 0.3000133E+02 relax_time= 0.4328278E+02',
'02epar( 3)= 0.00000000E+00',
'02epar( 4)= 0.17862340E-01 half_life= 0.3880495E+02 relax_time= 0.5598371E+02',
'02bpar( 1)= 0.49998962E+02',
'02bpar( 2)= 0.23103878E-01 half_life= 0.3000133E+02 relax_time= 0.4328278E+02',"""
datastruct = {}
pattern = re.compile(r"""\D(?P<digits>\d+)(?P<field>[eb]par)[^=]+=\D+(?P<number>\d+\.\d+E[+-]\d+)""")
for line in raw.splitlines():
result = pattern.search(line)
parts = result.groupdict()
if not parts['digits'] in datastruct:
datastruct[parts['digits']] = {'epar':[], 'bpar':[]}
datastruct[parts['digits']][parts['field']].append(parts['number'])
pprint.pprint(datastruct, depth=4)
Производит:
{'01': {'bpar': ['0.23103878E-01', '0.00000000E+00'], 'epar': []},
'02': {'bpar': ['0.49998962E+02', '0.23103878E-01'],
'epar': ['0.49998963E+02',
'0.23103878E-01',
'0.00000000E+00',
'0.17862340E-01']}}
Пересмотренная версия с учетом комментариев:
pattern = re.compile(r"""\D(?P<digits>\d+)(?P<field>[eb]par)[^=]+=\D+(?P<number>\d+\.\d+E[+-]\d+)""")
default = lambda : dict((('epar',[]), ('bpar',[])))
datastruct = defaultdict( default)
for line in raw.splitlines():
result = pattern.search(line)
parts = result.groupdict()
datastruct[parts['digits']][parts['field']].append(parts['number'])
pprint.pprint(datastruct.items())
, которая производит:
[('02',
{'bpar': ['0.49998962E+02', '0.23103878E-01'],
'epar': ['0.49998963E+02',
'0.23103878E-01',
'0.00000000E+00',
'0.17862340E-01']}),
('01', {'bpar': ['0.23103878E-01', '0.00000000E+00'], 'epar': []})]