60 lines
1.8 KiB
Python
60 lines
1.8 KiB
Python
import pytest
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from aare.common.diffraction_geometry import DiffractionGeometry
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@pytest.fixture
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def sample_dg():
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return DiffractionGeometry(
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energy_keV=12.4,
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dtz_mm=100.0,
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pixel_size_mm=0.172,
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beam_center_pxl=(1000.0, 1000.0),
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detector_size_pxl=(2000, 2000),
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detector_description="Eiger 16M",
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detector_serial_number="E-123",
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poni_rot1_rad=0.0,
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poni_rot2_rad=0.0
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)
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def test_detector_max_radius_pxl(sample_dg):
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# center (1000, 1000), size (2000, 2000)
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# x0 = 2000-1000 = 1000
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# x1 = 1000
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# y0 = 2000-1000 = 1000
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# y1 = 1000
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# max = 1000
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assert sample_dg.detector_max_radius_pxl == 1000.0
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def test_detector_radius_mm(sample_dg):
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# 1000 * 0.172 = 172.0
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assert sample_dg.detector_radius_mm == 172.0
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def test_wavelength_angstrom(sample_dg):
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# 12.398 / 12.4 = 0.9998387...
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assert sample_dg.wavelength_angstrom == pytest.approx(0.9998387)
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def test_resolution_angstrom(sample_dg):
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# dtz = 100
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# radius = 172
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# theta = atan(172/100) * 0.5 = atan(1.72) * 0.5 = 1.044 * 0.5 = 0.522 rad
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# res = 0.9998 / (2 * sin(0.522)) = 0.9998 / (2 * 0.498) = 1.003
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res = sample_dg.resolution_angstrom(100.0)
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assert res > 0
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assert res == pytest.approx(1.002469, abs=1e-5)
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with pytest.raises(ValueError):
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sample_dg.resolution_angstrom(0)
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def test_max_resolution_angstrom(sample_dg):
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assert sample_dg.max_resolution_angstrom == sample_dg.resolution_angstrom(sample_dg.dtz_mm)
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def test_calc_dtz_mm(sample_dg):
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res = sample_dg.resolution_angstrom(100.0)
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dtz = sample_dg.calc_dtz_mm(res)
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assert dtz == pytest.approx(100.0)
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with pytest.raises(ValueError):
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sample_dg.calc_dtz_mm(-1)
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# test x >= 1.0 case: wavelength / (2*res) >= 1.0 -> res <= wavelength / 2
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assert sample_dg.calc_dtz_mm(0.0001) == 0.0
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