def __read_reac_prop(self):
'''Read reaction properties and create Nodes.'''
reac_prop_keys = [
'id', 'equation', 'description', 'balance', 'ec', 'Source'
]
for values in self.__read_data('reac_prop.tsv'):
if not values[0].startswith('#'):
values[0] = self.__parse_id(values[0])
values[5] = self.__parse_id(values[5])
props = dict(zip(reac_prop_keys, values))
props.pop('Source')
try:
participants = chem_utils.parse_equation(
props.pop('equation'))
for participant in participants:
participant[0] = self.__parse_id(participant[0])
if participant[0] not in self.__chem_data:
self.__add_chem(participant[0])
props['reac_defn'] = participants
self.__reac_data[values[0]] = props
except ValueError:
print 'WARNING: Suspected polymerisation reaction: ' + \
values[0] + '\t' + str(props)
def __read_reac_prop(self):
'''Read reaction properties and create Nodes.'''
reac_prop_keys = ['id', 'equation', 'description', 'balance', 'ec',
'Source']
for values in self.__read_data('reac_prop.tsv'):
if not values[0].startswith('#'):
values[0] = self.__parse_id(values[0])
values[5] = self.__parse_id(values[5])
props = dict(zip(reac_prop_keys, values))
props.pop('Source')
try:
participants = chem_utils.parse_equation(
props.pop('equation'))
for participant in participants:
participant[0] = self.__parse_id(participant[0])
if participant[0] not in self.__chem_data:
self.__add_chem(participant[0])
props['reac_defn'] = participants
self.__reac_data[values[0]] = props
except ValueError:
print 'WARNING: Suspected polymerisation reaction: ' + \
values[0] + '\t' + str(props)
def test_parse_equation(self):
'''Tests parse_equation method.'''
eqn = '5.6 Fe4S + -3.2 water = 17.8 SiO2'
self.assertEqual(chm_util.parse_equation(eqn),
[['Fe4S', -5.6], ['water', 3.2], ['SiO2', 17.8]])
def test_parse_equation(self):
'''Tests parse_equation method.'''
eqn = '5.6 Fe4S + -3.2 water = 17.8 SiO2'
self.assertEqual(chm_util.parse_equation(eqn),
[['Fe4S', -5.6], ['water', 3.2], ['SiO2', 17.8]])