MMTF loader HETATM test (#8)

See #295
schrodinger · Jul 20, 2023 · 6c0da3b · 6c0da3b
1 parent 45e8f36
commit 6c0da3b
Show file tree

Hide file tree

Showing 2 changed files with 10 additions and 0 deletions.
diff --git a/testing/data/1x8x.mmtf.gz b/testing/data/1x8x.mmtf.gz
diff --git a/testing/tests/api/importing.py b/testing/tests/api/importing.py
@@ -541,10 +541,20 @@ def testLoadMMTF(self):
         self.assertEqual(169, cmd.count_atoms())
         self.assertEqual(36, cmd.count_atoms('ss S'))
         self.assertEqual(25, cmd.count_atoms('solvent'))
+        self.assertEqual(25, cmd.count_atoms('not polymer'))
         symmetry = cmd.get_symmetry()
         self.assertArrayEqual(symmetry[:6], [19.465, 21.432, 29.523, 90.0, 90.0, 90.0], delta=1e-4)
         self.assertEqual(symmetry[6], 'P 21 21 21')
 
+    @testing.requires_version('2.6')
+    def testLoadMMTF_polymer(self):
+        cmd.load(self.datafile("1x8x.mmtf.gz"))
+        self.assertEqual(2780, cmd.count_atoms())
+        self.assertEqual(2544, cmd.count_atoms('polymer'))
+        self.assertEqual(218, cmd.count_atoms('solvent'))
+        self.assertEqual(13, cmd.count_atoms('organic'))
+        self.assertEqual(5, cmd.count_atoms('inorganic'))
+
     @testing.requires_version('1.8.4')
     def testLoadMMTFEmpty(self):
         cmd.load(self.datafile("mmtf/empty-all0.mmtf"))