def testIteratorAccess2(self):
reader = FeatureReader([self.trajfile, self.trajfile], self.topfile)
reader.chunksize = 100
frames = 0
data = []
for i, X in reader:
frames += X.shape[0]
data.append(X)
self.assertEqual(frames, reader.trajectory_lengths()[0] * 2)
# restore shape of input
data = np.array(
data[0:reader.trajectory_lengths()[0] / reader.chunksize]).reshape(self.xyz.shape)
self.assertTrue(np.allclose(data, self.xyz))
def testIteratorAccess2(self):
reader = FeatureReader([self.trajfile, self.trajfile2], self.topfile)
reader.chunksize = 100
data = {itraj: [] for itraj in range(reader.number_of_trajectories())}
for i, X in reader:
data[i].append(X)
# restore shape of input
data[0] = np.vstack(data[0]).reshape(-1, 9)
data[1] = np.vstack(data[1]).reshape(-1, 9)
np.testing.assert_equal(data[0], self.xyz.reshape(-1, 9))
np.testing.assert_equal(data[1], self.xyz2.reshape(-1, 9))
def testIteratorAccess2(self):
reader = FeatureReader([self.trajfile, self.trajfile], self.topfile)
reader.chunksize = 100
frames = 0
data = []
for i, X in reader:
frames += X.shape[0]
data.append(X)
self.assertEqual(frames, reader.trajectory_lengths()[0] * 2)
# restore shape of input
data = np.array(data[0:reader.trajectory_lengths()[0] /
reader.chunksize]).reshape(self.xyz.shape)
self.assertTrue(np.allclose(data, self.xyz))