def testMAEchempy(self, molfilename):
cmd.load(self.datafile(molfilename), 'test', object_props='*', atom_props='*')
objs = cmd.get_object_list()
for obj in objs:
idxToVal = {}
natoms = cmd.count_atoms(obj)
for i in range(natoms):
idxToVal[i+1] = i*10
cmd.set_atom_property('test_prop', i*10, "index %d and %s" % (i+1, obj))
model = cmd.get_model(obj)
# test to make sure the properties that exist are the same
prop_list= cmd.get_property_list(obj)
mol_prop_list = [x[0] for x in model.molecule_properties]
self.assertEqual(set(prop_list), set(mol_prop_list))
# need to test whether the values are the same
for prop, val in model.molecule_properties:
propval = cmd.get_property(prop, obj)
self.assertEqual(propval, val)
self.assertEqual(natoms, len(model.atom))
# need to test values of all atom properties, including the ones that were set above
stored.prop_lookup = {}
cmd.iterate(obj, "stored.prop_lookup[index-1] = properties.all")
idx = 0
for at in model.atom:
for prop in at.atom_properties.keys():
val = at.atom_properties[prop]
self.assertEqual(val, stored.prop_lookup[idx][prop])
idx += 1
def testSetNoAtomProperty(self):
try:
cmd.set_atom_property('test_prop', 1, "index 1")
except:
self.assertEqual(False, True)
pass