def test_2(self):
# reset the global
remote.PREPARED=False
# get a smaller vtraj, and just assign it to only the pDB
vtraj = partition(self.project, chunk_size=10)[1]
a,d,vtraj = assign(vtraj, self.pdb_fn, self.metric)
# these are the right RMSD distances
#correct_d = np. array([ 0.07839765, 0.07229914, 0.1135717 , 0.14044274, 0.1121752 , 0.10593121, 0.08611701, 0.08802523, 0.08841465, 0.08553738], dtype=np.float32)
correct_d = np.array([ 0.26932446, 0.53129266, 0.64795935, 1.56435365, 1.05962805,
0.60572095, 0.47062515, 0.5758602 , 0.24565975, 0.69161412], dtype=np.float32)
npt.assert_array_almost_equal(d, correct_d)
npt.assert_array_equal(a, np.zeros(10))
def test_1(self):
# assigning some confs to themselves
a,d,vtraj = assign(self.vtraj, self.trj_fn, self.metric)
npt.assert_array_equal(a, np.arange(501))
npt.assert_array_almost_equal(d, np.zeros(501), decimal=3)
assert vtraj == self.vtraj
