moving content into tests dir

Author: cadenmyers13

tests/integration_test.py

@@ -0,0 +1,130 @@
+import unittest
+
+import h5py
+import numpy as np
+
+from ..fourigui.fourigui import Gui
+
+
+class TestGui(unittest.TestCase):
+    def setUp(self):
+        # set up gui
+        self.test_gui = Gui()
+
+        # set up test data
+        self.test_sofq = h5py.File("diffpy/tests/testdata/sofq.h5")["data"]
+        self.test_sofq_cut_10to40px = h5py.File("diffpy/tests/testdata/sofq_cut_10to40px.h5")["data"]
+        self.test_sofq_cut_15to35px = h5py.File("diffpy/tests/testdata/sofq_cut_15to35px.h5")["data"]
+        self.test_gofr = h5py.File("diffpy/tests/testdata/gofr.h5")["data"]
+        self.test_gofr_cut_10to40px = h5py.File("diffpy/tests/testdata/gofr_from_sofq_cut_10to40px.h5")["data"]
+        self.test_gofr_cut_15to35px = h5py.File("diffpy/tests/testdata/gofr_from_sofq_cut_15to35px.h5")["data"]
+
+    def test_load_cube_testdataset1(self):
+        # given
+        self.test_gui.filename_entry.delete(0, "end")
+        self.test_gui.filename_entry.insert(0, "diffpy/tests/testdata/sofq.h5")
+
+        # when
+        self.test_gui.load_cube()
+        result = self.test_gui.cube
+
+        # then
+        self.assertTrue(np.allclose(result, self.test_sofq))
+
+    def test_load_cube_testdataset2(self):
+        # given
+        self.test_gui.filename_entry.delete(0, "end")
+        self.test_gui.filename_entry.insert(0, "diffpy/tests/testdata/sofq_cut_10to40px.h5")
+
+        # when
+        self.test_gui.load_cube()
+        result = self.test_gui.cube
+
+        # then
+        self.assertTrue(np.allclose(np.nan_to_num(result), np.nan_to_num(self.test_sofq_cut_10to40px)))
+
+    def test_load_cube_testdataset3(self):
+        # given
+        self.test_gui.filename_entry.delete(0, "end")
+        self.test_gui.filename_entry.insert(0, "diffpy/tests/testdata/sofq_cut_15to35px.h5")
+
+        # when
+        self.test_gui.load_cube()
+        result = self.test_gui.cube
+
+        # then
+        self.assertTrue(np.allclose(np.nan_to_num(result), np.nan_to_num(self.test_sofq_cut_15to35px)))
+
+    def test_fft_testdataset1(self):
+        # given
+        self.test_gui.plot_plane = (
+            lambda *a, **b: ()
+        )  # overwrite plot_plane which requires not initialized attribute im
+        self.test_gui.cube = self.test_sofq
+
+        # when
+        self.test_gui.fft()
+        result = self.test_gui.cube
+
+        # then
+        self.assertTrue(np.allclose(result, self.test_gofr))
+
+    def test_fft_testdataset2(self):
+        # given
+        self.test_gui.plot_plane = (
+            lambda *a, **b: ()
+        )  # overwrite plot_plane which requires not initialized attribute im
+        self.test_gui.cube = self.test_sofq_cut_10to40px
+
+        # when
+        self.test_gui.fft()
+        result = self.test_gui.cube
+
+        # then
+        self.assertTrue(np.allclose(result, self.test_gofr_cut_10to40px))
+
+    def test_fft_testdataset3(self):
+        # given
+        self.test_gui.plot_plane = (
+            lambda *a, **b: ()
+        )  # overwrite plot_plane which requires not initialized attribute im
+        self.test_gui.cube = self.test_sofq_cut_15to35px
+
+        # when
+        self.test_gui.fft()
+        result = self.test_gui.cube
+
+        # then
+        self.assertTrue(np.allclose(result, self.test_gofr_cut_15to35px))
+
+    def test_applycutoff_range1(self):
+        # given
+        self.test_gui.plot_plane = lambda *a, **b: ()
+        self.test_gui.cube = self.test_sofq
+        self.test_gui.qminentry.insert(0, "10")
+        self.test_gui.qmaxentry.insert(0, "40")
+
+        # when
+        self.test_gui.applycutoff()
+        result = self.test_gui.cube
+
+        # then
+        self.assertTrue(np.allclose(np.nan_to_num(result), np.nan_to_num(self.test_sofq_cut_10to40px)))
+
+    def test_applycutoff_range2(self):
+        # given
+        self.test_gui.plot_plane = lambda *a, **b: ()
+        self.test_gui.cube = self.test_sofq
+        self.test_gui.qminentry.insert(0, "15")
+        self.test_gui.qmaxentry.insert(0, "35")
+
+        # when
+        self.test_gui.applycutoff()
+        result = self.test_gui.cube
+
+        # then
+        self.assertTrue(np.allclose(np.nan_to_num(result), np.nan_to_num(self.test_sofq_cut_15to35px)))
+
+
+if __name__ == "__main__":
+    unittest.main()

tests/testdata/__init__.py

@@ -0,0 +1,52 @@
+import h5py
+import numpy as np
+
+
+def cutcube(fname_uncut_cube, fname_cut_cube, qmin, qmax):
+
+    cube = h5py.File(fname_uncut_cube, "r")["data"]
+
+    X, Y, Z = cube.shape
+    sphere = np.ones((X, Y, Z))
+    r2_inner = qmin**2
+    r2_outer = qmax**2
+    XS, YS, ZS = np.meshgrid(np.arange(X), np.arange(Y), np.arange(Z))
+    R2 = (XS - X // 2) ** 2 + (YS - Y // 2) ** 2 + (ZS - Z // 2) ** 2
+    mask = (R2 <= r2_inner) | (R2 >= r2_outer)
+    sphere[mask] = np.nan
+
+    f = h5py.File(fname_cut_cube, "w")
+    f.create_dataset("data", data=cube * sphere)
+    f.close()
+
+
+def fftcube(fname_reci, fname_real):
+
+    fftholder = h5py.File(fname_reci, "r")["data"]
+
+    fftholder = np.nan_to_num(fftholder)
+    size = list(fftholder.shape)
+    fftholder = np.fft.ifftshift(fftholder)
+    fftholder = np.fft.fftn(fftholder, s=size, norm="ortho")
+    fftholder = np.fft.fftshift(fftholder)
+    fftholder = fftholder.real
+
+    f = h5py.File(fname_real, "w")
+    f.create_dataset("data", data=fftholder)
+    f.close()
+
+
+def dummydata(fname="dummydata.h5"):
+    dummydata = np.ones((3, 3, 3))
+
+    f = h5py.File(fname, "w")
+    f.create_dataset("data", data=dummydata)
+    f.close()
+
+
+# cutcube("sofq.h5", "sofq_cut_10to40px.h5", 10, 40)
+# cutcube("sofq.h5", "sofq_cut_15to35px.h5", 15, 35)
+# fftcube("sofq.h5", "gofr.h5")
+# fftcube("sofq_cut_10to40px.h5", "gofr_from_sofq_cut_10to40px.h5")
+# fftcube("sofq_cut_15to35px.h5", "gofr_from_sofq_cut_15to35px.h5")
+dummydata()