import os import pytest import mdevaluate from mdevaluate import coordinates @pytest.fixture def trajectory(request): return mdevaluate.open(os.path.join(os.path.dirname(__file__), 'data/water')) def test_coordinates_getitem(trajectory): """ Tests for the Coordinates class. """ assert isinstance(trajectory[0], coordinates.CoordinateFrame) assert isinstance(trajectory[len(trajectory) - 1], coordinates.CoordinateFrame) i = 0 dt = trajectory[1].time - trajectory[0].time for f in trajectory: assert f.step == i assert round(f.time, 3) == round(i * dt, 3) i += 1 sl = trajectory[0::10] assert isinstance(sl, coordinates.Coordinates) i = 0 for f in sl: assert f.step == i assert round(f.time, 3) == round(i * dt, 3) i += 10