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))