def test_algorithm(self):
self.clustering.estimate(self.src)
# correct type of dtrajs
assert types.is_int_vector(self.clustering.dtrajs[0])
# assert distance for each centroid is at least dmin
for c in itertools.combinations(self.clustering.clustercenters, 2):
if np.allclose(c[0], c[1]): # skip equal pairs
continue
dist = np.linalg.norm(c[0] - c[1], 2)
self.assertGreaterEqual(
dist, self.dmin, "centroid pair\n%s\n%s\n has smaller"
" distance than dmin(%f): %f" % (c[0], c[1], self.dmin, dist))
def test_return_dtrajs(self):
dtrajs = coor.assign_to_centers(data=self.X, centers=self.centers)
for dtraj in dtrajs:
assert types.is_int_vector(dtraj)