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)
