added unittests for multimericobject

test/test_create_multimeric_objects.py

@@ -0,0 +1,35 @@
+import unittest
+from alphapulldown.objects import MultimericObject
+import shutil
+import pickle
+import numpy as np
+from alphafold.data.pipeline import DataPipeline
+from alphafold.data.tools import hmmsearch
+
+
+class TestCreateMultimericObject(unittest.TestCase):
+    """A class that test major functions of creating feature_dict of a MultimericObject object"""
+
+    def setUp(self) -> None:
+        self.monomer1 = pickle.load(open("./example_data/H1142_A.pkl", "rb"))
+        self.monomer2 = pickle.load(open("./example_data/H1142_B.pkl", "rb"))
+
+    def test_1_initiate_default_multimericobject(self) -> MultimericObject:
+        multimer_obj = MultimericObject([self.monomer1, self.monomer2])
+        return multimer_obj
+
+    @unittest.expectedFailure
+    def test_1_initiate_multimericobject_without_msa_pairing(self) -> MultimericObject:
+        multimer_obj = MultimericObject([self.monomer1, self.monomer2],pair_msa=False)
+        return multimer_obj
+
+    def test_2_check_residue_indexes(self):
+        multimer_obj = self.test_1_initiate_default_multimericobject()
+        seq_1_length = self.monomer1.feature_dict['seq_length'][0]
+        seq_2_length = self.monomer2.feature_dict['seq_length'][0]
+        expected_residue_index=np.array(list(range(seq_1_length)) + list(range(seq_2_length)))
+        self.assertTrue(np.array_equal(multimer_obj.feature_dict['residue_index'],expected_residue_index))
+
+
+if __name__=="__main__":
+    unittest.main()