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