def test_load_families_incorrect(self):
"""Test invalid methods for loading kinetics families"""
path = os.path.join(settings['test_data.directory'], 'testing_database', 'kinetics', 'families')
database = KineticsDatabase()
database.loadRecommendedFamiliesList(os.path.join(path, 'recommended.py'))
with self.assertRaises(DatabaseError):
database.loadFamilies(path, families='random')
with self.assertRaises(DatabaseError):
database.loadFamilies(path, families=['!H_Abstraction','Disproportionation'])
with self.assertRaises(DatabaseError):
database.loadFamilies(path, families=['fake_family'])
def test_load_families_correct(self):
"""Test valid methods for loading kinetics families."""
path = os.path.join(settings['test_data.directory'],
'testing_database', 'kinetics', 'families')
database = KineticsDatabase()
database.loadRecommendedFamiliesList(
os.path.join(path, 'recommended.py'))
try:
database.loadFamilies(path, families=[])
except DatabaseError:
self.fail("Unable to load families using list []")
try:
database.loadFamilies(path, families='none')
except DatabaseError:
self.fail("Unable to load families using keyword 'none'")
try:
database.loadFamilies(path, families='default')
except DatabaseError:
self.fail("Unable to load families using keyword 'default'")
try:
database.loadFamilies(path, families=['default', 'pah'])
except DatabaseError:
self.fail("Unable to load families using list ['default', 'pah']")
try:
database.loadFamilies(path, families=['R_Addition_MultipleBond'])
except DatabaseError:
self.fail(
"Unable to load families using list ['R_Addition_MultipleBond']"
)
try:
database.loadFamilies(
path, families=['!H_Abstraction', '!Disproportionation'])
except DatabaseError:
self.fail(
"Unable to load families using list ['!H_Abstraction', '!Disproportionation']"
)
try:
database.loadFamilies(path, families='!pah')
except DatabaseError:
self.fail("Unable to load families using keyword '!pah'")
try:
database.loadFamilies(path, families=['H_Abstraction', 'pah'])
except DatabaseError:
self.fail(
"Unable to load families using list ['H_Abstraction', 'pah']")
def test_load_families_correct(self):
"""Test valid methods for loading kinetics families."""
path = os.path.join(settings['test_data.directory'], 'testing_database', 'kinetics', 'families')
database = KineticsDatabase()
database.loadRecommendedFamiliesList(os.path.join(path, 'recommended.py'))
try:
database.loadFamilies(path, families=[])
except DatabaseError:
self.fail("Unable to load families using list []")
try:
database.loadFamilies(path, families='none')
except DatabaseError:
self.fail("Unable to load families using keyword 'none'")
try:
database.loadFamilies(path, families='default')
except DatabaseError:
self.fail("Unable to load families using keyword 'default'")
try:
database.loadFamilies(path, families=['default', 'pah'])
except DatabaseError:
self.fail("Unable to load families using list ['default', 'pah']")
try:
database.loadFamilies(path, families=['R_Addition_MultipleBond'])
except DatabaseError:
self.fail("Unable to load families using list ['R_Addition_MultipleBond']")
try:
database.loadFamilies(path, families=['!H_Abstraction', '!Disproportionation'])
except DatabaseError:
self.fail("Unable to load families using list ['!H_Abstraction', '!Disproportionation']")
try:
database.loadFamilies(path, families='!pah')
except DatabaseError:
self.fail("Unable to load families using keyword '!pah'")
try:
database.loadFamilies(path, families=['H_Abstraction', 'pah'])
except DatabaseError:
self.fail("Unable to load families using list ['H_Abstraction', 'pah']")
