def test_frame_instance_from_reader_dummy(self): class DummyReader(FrameReader): def _initialise_frame(self, frame): frame.dummy_reader = True def _read_frame_number(self, number): return number * 10, [], None reader = DummyReader(None) frame = Frame.instance_from_reader(reader) self.assertTrue(frame.dummy_reader) frame.next_frame() self.assertEqual(frame.number, 0) self.assertEqual(frame.time, 0) np.testing.assert_array_equal( np.zeros(3), frame.box) # Reader replaces None with (0, 0, 0) frame.next_frame() self.assertEqual(frame.number, 1) self.assertEqual(frame.time, 10)
def test_frame_instance_from_reader(self): reader = FrameReaderSimpleTraj("test/data/water.gro") frame = Frame.instance_from_reader(reader) self.helper_read_xtc(frame, first_only=True)
def test_frame_mdanalysis_read_xtc(self): reader = FrameReaderMDAnalysis("test/data/water.gro", "test/data/water.xtc") frame = Frame.instance_from_reader(reader) self.helper_read_xtc(frame)
def test_frame_mdanalysis_read_pdb(self): reader = FrameReaderMDAnalysis("test/data/water.pdb") frame = Frame.instance_from_reader(reader) self.helper_read_xtc(frame, first_only=True)
def test_frame_any_read_pdb(self): reader = get_frame_reader("test/data/water.pdb") frame = Frame.instance_from_reader(reader) self.helper_read_xtc(frame, first_only=True, skip_names=True)
def test_frame_mdtraj_read_pdb(self): reader = FrameReaderMDTraj("test/data/water.pdb") frame = Frame.instance_from_reader(reader) self.helper_read_xtc(frame, first_only=True, skip_names=True)