def test_calculateProjections(): # TODO: Update test
s1 = Sample(np.pi * 2, np.pi * 2, np.pi * 2, 90, 90, 60)
s1.calculateProjections()
theta = 2 * np.pi / 3 # 120 degrees between projection vectors
AStar = np.linalg.norm(s1.reciprocalVectorA)
BStar = np.linalg.norm(s1.reciprocalVectorB)
CStar = np.linalg.norm(s1.reciprocalVectorC)
def test_sample_exceptions():
try: # No parameters given
s1 = Sample(a=None)
assert False
except:
assert True
try: # negative parameters given
s1 = Sample(a=-1, b=1, c=1)
assert False
except:
assert True
try: # negative parameters given
s1 = Sample(a=1, b=-1, c=1)
assert False
except:
assert True
try: # negative parameters given
s1 = Sample(a=1, b=1, c=-1)
assert False
except:
assert True
try: # negative parameters given
s1 = Sample(a=1, b=1, c=1, alpha=200)
assert False
except:
assert True
try: # negative parameters given
s1 = Sample(a=1, b=1, c=1, beta=-10)
assert False
except:
assert True
try: # negative parameters given
s1 = Sample(a=1, b=1, c=1, gamma=-10)
assert False
except:
assert True
def test_equality():
s1 = Sample(1, 2, 3, 90, 90, 120)
s2 = Sample(1, 2, 3, 90, 90, 120)
assert (s1 == s2)
def test_parameters():
s1 = Sample(1,2,3,90,90,120)
pars = np.array([getattr(s1,x) for x in ['a','b','c','alpha','beta','gamma']])
assert(np.all(np.isclose(pars,np.array([1,2,3,90,90,120]))))