test bvf

- test calculation
- test comparison against lit values

ToDo:
- Consider cases with volume_fraction>1
- Add literature values for bvf

simpa_tests/automatic_tests/test_calculation_utils.py

@@ -5,7 +5,7 @@
 import unittest
 from simpa.utils import SegmentationClasses, MolecularCompositionGenerator
 from simpa.utils.libraries.molecule_library import MOLECULE_LIBRARY
-from simpa.utils.calculate import calculate_oxygenation
+from simpa.utils.calculate import calculate_oxygenation, calculate_bvf
 from simpa.utils.calculate import randomize_uniform
 from simpa.utils.calculate import calculate_gruneisen_parameter_from_temperature
 from simpa.utils.calculate import positive_gauss
@@ -65,6 +65,56 @@ def test_oxygenation_calculation(self):
 
             assert abs(sO2_value - (oxy / (oxy + deoxy))) < 1e-10
 
+    def test_bvf_calculation(self):
+
+        # Neither oxy nor deoxy:
+        mcg = MolecularCompositionGenerator()
+        mcg.append(MOLECULE_LIBRARY.fat(1.0))
+        bvf_value = calculate_bvf(mcg.get_molecular_composition(segmentation_type=SegmentationClasses.GENERIC))
+        assert bvf_value == 0
+
+        mcg = MolecularCompositionGenerator()
+        mcg.append(MOLECULE_LIBRARY.fat(1.0))
+        mcg.append(MOLECULE_LIBRARY.oxyhemoglobin(0.0))
+        bvf_value = calculate_bvf(mcg.get_molecular_composition(segmentation_type=SegmentationClasses.GENERIC))
+        assert bvf_value == 0
+
+        # Just oxyhemoglobin CASES:
+        mcg = MolecularCompositionGenerator()
+        mcg.append(MOLECULE_LIBRARY.oxyhemoglobin(1.0))
+        oxy_hemo = mcg.get_molecular_composition(segmentation_type=SegmentationClasses.GENERIC)
+        bvf_value = calculate_bvf(oxy_hemo)
+        assert bvf_value == 1.0
+        mcg.append(MOLECULE_LIBRARY.deoxyhemoglobin(0.0))
+        oxy_hemo = mcg.get_molecular_composition(segmentation_type=SegmentationClasses.GENERIC)
+        bvf_value = calculate_bvf(oxy_hemo)
+        assert bvf_value == 1.0
+
+        # Just deoxyhemoglobin CASES:
+        mcg = MolecularCompositionGenerator()
+        mcg.append(MOLECULE_LIBRARY.deoxyhemoglobin(1.0))
+        deoxy_hemo = mcg.get_molecular_composition(segmentation_type=SegmentationClasses.GENERIC)
+        bvf_value = calculate_bvf(deoxy_hemo)
+        assert bvf_value == 1.0
+        mcg.append(MOLECULE_LIBRARY.oxyhemoglobin(0.0))
+        deoxy_hemo = mcg.get_molecular_composition(segmentation_type=SegmentationClasses.GENERIC)
+        bvf_value = calculate_bvf(deoxy_hemo)
+        assert bvf_value == 1.0
+
+        # RANDOM CASES
+        for i in range(100):
+            oxy = np.random.random()
+            deoxy = np.random.random()
+            fat = np.random.random()
+
+            sum_oxy_deoxy_fat = oxy + deoxy + fat
+            mcg = MolecularCompositionGenerator()
+            mcg.append(MOLECULE_LIBRARY.fat(fat/sum_oxy_deoxy_fat))
+            mcg.append(MOLECULE_LIBRARY.deoxyhemoglobin(deoxy/sum_oxy_deoxy_fat))
+            mcg.append(MOLECULE_LIBRARY.oxyhemoglobin(oxy/sum_oxy_deoxy_fat))
+            bvf_value = calculate_bvf(mcg.get_molecular_composition(segmentation_type=SegmentationClasses.GENERIC))
+            assert abs(bvf_value - (oxy+deoxy)/sum_oxy_deoxy_fat) < 1e-10
+
     def test_randomize(self):
         for _ in range(1000):
             lower = np.random.randint(0, 10000000)
@@ -79,10 +129,14 @@ def test_gruneisen_parameter_calculation(self):
             assert isinstance(gruneisen, float), "Gruneisenparameter was not a float"
             assert gruneisen > 0, "Gruneisenparameter was negative"
             assert gruneisen < 1, "Gruneisenparameter was way too large"
-    
+
     def test_positive_Gauss(self):
         for _ in range(1000):
             mean = np.random.rand(1)[0]
             std = np.random.rand(1)[0]
             random_value = positive_gauss(mean, std)
             assert random_value > float(0), "positive Gauss value outside the desired range and negative"
+
+
+# test = TestCalculationUtils()
+# test.test_bvf_calculation()