def test_init(self):
# both 'LiCoO2' and "FeF3" are using Li+ as working ion; MnO2 is for the multivalent Mg2+ ion
for f in self.formulas:
c = self.conversion_eletrodes[f]["CE"]
self.assertEqual(len(c.get_sub_electrodes(True)), c.num_steps)
self.assertEqual(len(c.get_sub_electrodes(False)),
sum(range(1, c.num_steps + 1)))
self.assertIsNotNone(str(c))
p = self.expected_properties[f]
for k, v in p.items():
self.assertAlmostEqual(getattr(c, "get_" + k).__call__(), v, 2)
self.assertIsNotNone(c.get_summary_dict(True))
# Test pair to dict
pair = c.voltage_pairs[0]
d = pair.as_dict()
pair2 = ConversionVoltagePair.from_dict(d)
for prop in ["voltage", "mass_charge", "mass_discharge"]:
self.assertEqual(getattr(pair, prop), getattr(pair2, prop), 2)
# Test
d = c.as_dict()
electrode = ConversionElectrode.from_dict(d)
for k, v in p.items():
self.assertAlmostEqual(
getattr(electrode, "get_" + k).__call__(), v, 2)
def test_init(self):
# both 'LiCoO2' and "FeF3" are using Li+ as working ion; MnO2 is for the multivalent Mg2+ ion
formulas = ['LiCoO2', "FeF3", "MnO2"]
expected_properties = {}
expected_properties['LiCoO2'] = {'average_voltage': 2.26940307125,
'capacity_grav': 903.19752911225669,
'capacity_vol': 2903.35804724,
'specific_energy': 2049.7192465127678,
'energy_density': 6588.8896693479574}
expected_properties['FeF3'] = {'average_voltage': 3.06179925889,
'capacity_grav': 601.54508701578118,
'capacity_vol': 2132.2069115142394,
'specific_energy': 1841.8103016131706,
'energy_density': 6528.38954147}
expected_properties['MnO2'] = {'average_voltage': 1.7127027687901726,
'capacity_grav': 790.9142070034802,
'capacity_vol': 3543.202003526853,
'specific_energy': 1354.6009522103434,
'energy_density': 6068.451881823329}
for f in formulas:
with open(os.path.join(test_dir, f + "_batt.json"), 'r') as fid:
entries = json.load(fid, cls=MontyDecoder)
#entries = computed_entries_from_json(fid.read())
# with open(os.path.join(test_dir, f + "_batt.json"), 'w') as fid:
#json.dump(entries, fid, cls=MontyEncoder)
if f in ['LiCoO2', "FeF3"]:
working_ion = "Li"
elif f in ["MnO2"]:
working_ion = "Mg"
c = ConversionElectrode.from_composition_and_entries(
Composition(f), entries,working_ion_symbol=working_ion)
self.assertEqual(len(c.get_sub_electrodes(True)), c.num_steps)
self.assertEqual(len(c.get_sub_electrodes(False)),
sum(range(1, c.num_steps + 1)))
self.assertIsNotNone(str(c))
p = expected_properties[f]
for k, v in p.items():
self.assertAlmostEqual(getattr(c, "get_" + k).__call__(), v, 2)
self.assertIsNotNone(c.get_summary_dict(True))
#Test pair to dict
pair = c.voltage_pairs[0]
d = pair.as_dict()
pair2 = ConversionVoltagePair.from_dict(d)
for prop in ['voltage', 'mass_charge', 'mass_discharge']:
self.assertEqual(getattr(pair, prop), getattr(pair2, prop), 2)
#Test
d = c.as_dict()
electrode = ConversionElectrode.from_dict(d)
for k, v in p.items():
self.assertAlmostEqual(getattr(electrode,
"get_" + k).__call__(), v, 2)
def test_init(self):
# both 'LiCoO2' and "FeF3" are using Li+ as working ion; MnO2 is for the multivalent Mg2+ ion
formulas = ['LiCoO2', "FeF3", "MnO2"]
expected_properties = {}
expected_properties['LiCoO2'] = {'average_voltage': 2.26940307125,
'capacity_grav': 903.19752911225669,
'capacity_vol': 2903.35804724,
'specific_energy': 2049.7192465127678,
'energy_density': 6588.8896693479574}
expected_properties['FeF3'] = {'average_voltage': 3.06179925889,
'capacity_grav': 601.54508701578118,
'capacity_vol': 2132.2069115142394,
'specific_energy': 1841.8103016131706,
'energy_density': 6528.38954147}
expected_properties['MnO2'] = {'average_voltage': 1.7127027687901726,
'capacity_grav': 790.9142070034802,
'capacity_vol': 3543.202003526853,
'specific_energy': 1354.6009522103434,
'energy_density': 6068.451881823329}
for f in formulas:
with open(os.path.join(test_dir, f + "_batt.json"), 'r') as fid:
entries = json.load(fid, cls=MontyDecoder)
#entries = computed_entries_from_json(fid.read())
# with open(os.path.join(test_dir, f + "_batt.json"), 'w') as fid:
#json.dump(entries, fid, cls=MontyEncoder)
if f in ['LiCoO2', "FeF3"]:
working_ion = "Li"
elif f in ["MnO2"]:
working_ion = "Mg"
c = ConversionElectrode.from_composition_and_entries(
Composition(f), entries,working_ion_symbol=working_ion)
self.assertEqual(len(c.get_sub_electrodes(True)), c.num_steps)
self.assertEqual(len(c.get_sub_electrodes(False)),
sum(range(1, c.num_steps + 1)))
self.assertIsNotNone(str(c))
p = expected_properties[f]
for k, v in p.items():
self.assertAlmostEqual(getattr(c, "get_" + k).__call__(), v, 2)
self.assertIsNotNone(c.get_summary_dict(True))
#Test pair to dict
pair = c.voltage_pairs[0]
d = pair.as_dict()
pair2 = ConversionVoltagePair.from_dict(d)
for prop in ['voltage', 'mass_charge', 'mass_discharge']:
self.assertEqual(getattr(pair, prop), getattr(pair2, prop), 2)
#Test
d = c.as_dict()
electrode = ConversionElectrode.from_dict(d)
for k, v in p.items():
self.assertAlmostEqual(getattr(electrode,
"get_" + k).__call__(), v, 2)
def test_init(self):
formulas = ['LiCoO2', "FeF3"]
expected_properties = {}
expected_properties['LiCoO2'] = {
'average_voltage': 2.26940307125,
'capacity_grav': 903.19752911225669,
'capacity_vol': 2903.35804724,
'specific_energy': 2049.7192465127678,
'energy_density': 6588.8896693479574
}
expected_properties['FeF3'] = {
'average_voltage': 3.06179925889,
'capacity_grav': 601.54508701578118,
'capacity_vol': 2132.2069115142394,
'specific_energy': 1841.8103016131706,
'energy_density': 6528.38954147
}
for f in formulas:
with open(os.path.join(test_dir, f + "_batt.json"), 'r') as fid:
entries = json.load(fid, cls=MontyDecoder)
#entries = computed_entries_from_json(fid.read())
# with open(os.path.join(test_dir, f + "_batt.json"), 'w') as fid:
#json.dump(entries, fid, cls=MontyEncoder)
c = ConversionElectrode.from_composition_and_entries(
Composition(f), entries)
self.assertEqual(len(c.get_sub_electrodes(True)), c.num_steps)
self.assertEqual(len(c.get_sub_electrodes(False)),
sum(range(1, c.num_steps + 1)))
self.assertIsNotNone(str(c))
p = expected_properties[f]
for k, v in p.items():
self.assertAlmostEqual(getattr(c, "get_" + k).__call__(), v, 2)
self.assertIsNotNone(c.get_summary_dict(True))
#Test pair to dict
pair = c.voltage_pairs[0]
d = pair.as_dict()
pair2 = ConversionVoltagePair.from_dict(d)
for prop in ['voltage', 'mass_charge', 'mass_discharge']:
self.assertEqual(getattr(pair, prop), getattr(pair2, prop), 2)
#Test
d = c.as_dict()
electrode = ConversionElectrode.from_dict(d)
for k, v in p.items():
self.assertAlmostEqual(
getattr(electrode, "get_" + k).__call__(), v, 2)
def test_init(self):
formulas = ['LiCoO2', "FeF3"]
expected_properties = {}
expected_properties['LiCoO2'] = {'average_voltage': 2.26940307125,
'capacity_grav': 903.19752911225669,
'capacity_vol': 2903.35804724,
'specific_energy': 2049.7192465127678,
'energy_density': 6588.8896693479574}
expected_properties['FeF3'] = {'average_voltage': 3.06179925889,
'capacity_grav': 601.54508701578118,
'capacity_vol': 2132.2069115142394,
'specific_energy': 1841.8103016131706,
'energy_density': 6528.38954147}
for f in formulas:
with open(os.path.join(test_dir, f + "_batt.json"), 'r') as fid:
entries = json.load(fid, cls=PMGJSONDecoder)
#entries = computed_entries_from_json(fid.read())
# with open(os.path.join(test_dir, f + "_batt.json"), 'w') as fid:
#json.dump(entries, fid, cls=PMGJSONEncoder)
c = ConversionElectrode.from_composition_and_entries(
Composition(f),
entries)
self.assertEqual(len(c.get_sub_electrodes(True)), c.num_steps)
self.assertEqual(len(c.get_sub_electrodes(False)),
sum(xrange(1, c.num_steps + 1)))
self.assertIsNotNone(str(c))
p = expected_properties[f]
for k, v in p.items():
self.assertAlmostEqual(getattr(c, "get_" + k).__call__(), v, 2)
self.assertIsNotNone(c.get_summary_dict(True))
#Test pair to dict
pair = c.voltage_pairs[0]
d = pair.to_dict
pair2 = ConversionVoltagePair.from_dict(d)
for prop in ['voltage', 'mass_charge', 'mass_discharge']:
self.assertEqual(getattr(pair, prop), getattr(pair2, prop), 2)
#Test
d = c.to_dict
electrode = ConversionElectrode.from_dict(d)
for k, v in p.items():
self.assertAlmostEqual(getattr(electrode,
"get_" + k).__call__(), v, 2)