added test for cooper-nathans method

scripts/test_cooper_nathans.py → scripts/example_cooper_nathans.py

@@ -1,80 +1,41 @@
 import matplotlib.pylab as plt
 import numpy as np
-
 from tavi.instrument.resolution.cooper_nathans import CN
 
-# from tavi.instrument.instrument_params.python_dicts.takin_test import instrument_params
-# from test_data_folder.test_samples.python_samples.sample_test import test_xtal
-
-# from tavi.instrument.instrument_params.python_dicts.cg4c import cg4c_config_params
-# from tests.test_data_folder.test_samples.python_samples.nitio3 import nitio3
-
 np.set_printoptions(floatmode="fixed", precision=4)
 
 
 def test_copper_nathans_localQ(tas_params):
     tas, ei, ef, hkl, _, R0 = tas_params
 
-    rez = tas.cooper_nathans(
-        ei=ei,
-        ef=ef,
-        hkl=hkl,
-        projection=None,
-        R0=R0,
-    )
-    print(rez.mat)
-    print(rez.r0)
-
-    # describe and plot ellipses
-    # rez.calc_ellipses()
+    rez = tas.cooper_nathans(ei=ei, ef=ef, hkl=hkl, projection=None, R0=R0)
     rez.plot()
 
 
 def test_copper_nathans_hkl(tas_params):
     tas, ei, ef, hkl, _, R0 = tas_params
 
-    rez = tas.cooper_nathans(
-        ei=ei,
-        ef=ef,
-        hkl=hkl,
-        R0=R0,
-    )
-    print(rez.mat)
-
-    # describe and plot ellipses
-    # rez.calc_ellipses()
+    rez = tas.cooper_nathans(ei=ei, ef=ef, hkl=hkl, R0=R0)
     rez.plot()
 
 
 def test_copper_nathans_projection(tas_params):
     tas, ei, ef, hkl, projection, R0 = tas_params
 
-    rez = tas.cooper_nathans(
-        ei=ei,
-        ef=ef,
-        hkl=hkl,
-        projection=projection,
-        R0=R0,
-    )
-    print(rez.mat)
-
-    # describe and plot ellipses
-    # rez.calc_ellipses()
+    rez = tas.cooper_nathans(ei=ei, ef=ef, hkl=hkl, projection=projection, R0=R0)
+
     rez.plot()
 
 
 def test_cooper_nathans_compare_3():
     tas = CN()
 
     instrument_config_json_path = "./src/tavi/instrument/instrument_params/takin_test.json"
-    sample_json_path = "./test_data/test_samples/test_xtal.json"
+    sample_json_path = "./test_data/test_samples/sample_test.json"
 
     tas.load_instrument_from_json(instrument_config_json_path)
     tas.load_sample_from_json(sample_json_path)
 
-    # tas.load_instrument_from_(instrument_params)
-    # tas.load_sample(test_xtal)
-
     if tas.sample.ub_matrix is None:
         peak_list = [(0, 0, 2), (0, 2, 0)]
         angles_list = [
@@ -96,8 +57,6 @@ def test_cooper_nathans_compare_3():
     test_copper_nathans_hkl(tas_params)
     test_copper_nathans_projection(tas_params)
 
-    plt.show()
-
 
 def test_cooper_nathans_CTAX():
     tas = CN()
@@ -108,15 +67,13 @@ def test_cooper_nathans_CTAX():
     tas.load_instrument_from_json(instrument_config_json_path)
     tas.load_sample_from_json(sample_json_path)
 
-    # tas.load_instrument_from_dicts(cg4c_config_params)
-    # tas.load_sample(nitio3)
-    print(f"u={tas.sample.u}")
-    print(f"v={tas.sample.v}")
-
-    # reset UB
+    # ----------- reset UB -----------------------------------
+    # print(f"u={tas.sample.u}")
+    # print(f"v={tas.sample.v}")
     # tas.sample.ub_matrix = tas.sample.uv_to_ub_matrix(u=[1, 1, 0], v=[0, 0, 1])
     # print(f"u={tas.sample.u}")
     # print(f"v={tas.sample.v}")
+    # ----------------------------------------------------------
 
     ei = 4.8
     ef = 4.8
@@ -131,10 +88,10 @@ def test_cooper_nathans_CTAX():
     test_copper_nathans_hkl(tas_params)
     test_copper_nathans_projection(tas_params)
 
-    plt.show()
-
 
 if __name__ == "__main__":
-    # test_cooper_nathans_compare_3()
+    test_cooper_nathans_compare_3()
 
     test_cooper_nathans_CTAX()
+
+    plt.show()

scripts/test_data_conversion.py

@@ -5,7 +5,6 @@
 
 def test_conversion(exp_numer):
     spice_folder = f"./test_data/exp{exp_numer}/"
-    # h5_file_name = "./tests/test_data/tavi_exp758.h5"
     nexus_file_name = f"./test_data/nexus_exp{exp_numer}.h5"
     convert_spice_to_nexus(spice_folder, nexus_file_name)
 

scripts/test_fit.py

@@ -1,11 +1,10 @@
 import matplotlib.pyplot as plt
-from tavi.tavi_data.tavi_data import TAVI_Data
-from tavi.tavi_data.fit import Fit
+from tavi.data.fit import Fit
+from tavi.data.tavi import TAVI
 from tavi.plotter import Plot1DManager
 
 
 def test_fit_scan(tavi):
-
     p1 = Plot1DManager()
 
     datasets = list(tavi.data.keys())[0]
@@ -29,8 +28,7 @@ def test_fit_scan(tavi):
 
 
 if __name__ == "__main__":
-
-    tavi = TAVI_Data()
+    tavi = TAVI()
 
     tavi_file_name = "./tests/test_data_folder/tavi_test_exp424.h5"
     tavi.open_tavi_file(tavi_file_name)

tests/test_cooper_nathans.py

@@ -0,0 +1,73 @@
+import numpy as np
+import pytest
+from tavi.instrument.resolution.cooper_nathans import CN
+
+np.set_printoptions(floatmode="fixed", precision=4)
+
+
+def test_copper_nathans_localQ(tas_params):
+    tas, ei, ef, hkl, _, R0 = tas_params
+
+    rez = tas.cooper_nathans(ei=ei, ef=ef, hkl=hkl, projection=None, R0=R0)
+    mat = np.array(
+        [
+            [9583.2881, -4671.0614, -0.0000, 986.5610],
+            [-4671.0614, 21359.2992, 0.0000, -4129.1553],
+            [0.0000, 0.0000, 77.7036, 0.0000],
+            [986.5610, -4129.1553, -0.0000, 864.3494],
+        ]
+    )
+    assert np.allclose(rez.mat, mat, atol=1e-2)
+
+
+def test_copper_nathans_hkl(tas_params):
+    tas, ei, ef, hkl, _, R0 = tas_params
+
+    rez = tas.cooper_nathans(ei=ei, ef=ef, hkl=hkl, R0=R0)
+    mat = np.array(
+        [
+            [33305.0843, 33224.4963, -2651.8290, -5152.9962],
+            [33224.4963, 33305.2609, -2651.8526, -5153.0102],
+            [-2651.8290, -2651.8526, 1983.2037, 448.8024],
+            [-5152.9962, -5153.0102, 448.8024, 864.3494],
+        ]
+    )
+    assert np.allclose(rez.mat, mat, atol=1e-2)
+
+
+def test_copper_nathans_projection(tas_params):
+    tas, ei, ef, hkl, projection, R0 = tas_params
+
+    rez = tas.cooper_nathans(ei=ei, ef=ef, hkl=hkl, projection=projection, R0=R0)
+    mat = np.array(
+        [
+            [1.3306e05, -5.3037e03, -1.7660e-01, -1.0306e04],
+            [-5.3037e03, 1.9832e03, 2.3558e-02, 4.4880e02],
+            [-1.7660e-01, 2.3558e-02, 1.6135e02, 1.4003e-02],
+            [-1.0306e04, 4.4880e02, 1.4003e-02, 8.6435e02],
+        ]
+    )
+    assert np.allclose(rez.mat, mat, atol=1e-2)
+
+
+@pytest.fixture
+def tas_params():
+    # cooper_nathans_CTAX
+    tas = CN()
+
+    instrument_config_json_path = "./src/tavi/instrument/instrument_params/cg4c.json"
+    sample_json_path = "./test_data/test_samples/nitio3.json"
+
+    tas.load_instrument_from_json(instrument_config_json_path)
+    tas.load_sample_from_json(sample_json_path)
+
+    ei = 4.8
+    ef = 4.8
+    hkl = (0, 0, 3)
+
+    projection = ((1, 1, 0), (0, 0, 1), (1, -1, 0))
+    R0 = False
+
+    tas_params = (tas, ei, ef, hkl, projection, R0)
+
+    return tas_params