Format code with Blackdeepsource-transform-b65b5545

1 files changed, 28 insertions, 28 deletions

diff --git a/plip/test/test_xml_parser.py b/plip/test/test_xml_parser.py
index 1f45daa..da99e50 100644
--- a/plip/test/test_xml_parser.py
+++ b/plip/test/test_xml_parser.py
@@ -13,27 +13,27 @@ class XMLParserTest(unittest.TestCase):
     """Checks if the XML parser is working correctly"""
 
     def setUp(self):
-        self.px = PlipXML('./xml/1vsn.report.xml')
-        self.bsite = self.px.bsites['NFT:A:283']
-        self.smiles = 'CC(C)CC(NC(c1ccc(cc1)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F)C(=O)NCC=N'
+        self.px = PlipXML("./xml/1vsn.report.xml")
+        self.bsite = self.px.bsites["NFT:A:283"]
+        self.smiles = "CC(C)CC(NC(c1ccc(cc1)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F)C(=O)NCC=N"
 
     def test_general_information(self):
         """Test if general information is correctly parsed."""
-        self.assertEqual(self.px.version, '1.4.2')
-        self.assertEqual(self.px.pdbid, '1VSN')
+        self.assertEqual(self.px.version, "1.4.2")
+        self.assertEqual(self.px.pdbid, "1VSN")
         self.assertFalse(self.px.fixed)
-        self.assertEqual(self.px.filename, '1vsn.pdb')
+        self.assertEqual(self.px.filename, "1vsn.pdb")
         self.assertEqual(self.px.excluded, [])
 
     def test_bsite_information(self):
         """Test if the binding site information is correctly parsed."""
-        self.assertEqual(self.bsite.pdbid, '1VSN')
-        self.assertEqual(self.bsite.uniqueid, '1VSN:NFT:A:283')
-        self.assertEqual(self.bsite.hetid, 'NFT')
-        self.assertEqual(self.bsite.longname, 'NFT')
-        self.assertEqual(self.bsite.ligtype, 'SMALLMOLECULE')
+        self.assertEqual(self.bsite.pdbid, "1VSN")
+        self.assertEqual(self.bsite.uniqueid, "1VSN:NFT:A:283")
+        self.assertEqual(self.bsite.hetid, "NFT")
+        self.assertEqual(self.bsite.longname, "NFT")
+        self.assertEqual(self.bsite.ligtype, "SMALLMOLECULE")
         self.assertEqual(self.bsite.smiles, self.smiles)
-        self.assertEqual(self.bsite.members, ['NFT:A:283'])
+        self.assertEqual(self.bsite.members, ["NFT:A:283"])
         self.assertFalse(self.bsite.composite)
 
         # ligand properties
@@ -50,7 +50,7 @@ class XMLParserTest(unittest.TestCase):
         self.assertAlmostEqual(self.bsite.logp, 6, 0)
 
         # Atom mappings (non-exhaustive test)
-        lmap = self.bsite.mappings['pdb_to_smiles']
+        lmap = self.bsite.mappings["pdb_to_smiles"]
         self.assertEqual(lmap[1625], 24)
         self.assertEqual(lmap[1649], 33)
         self.assertEqual(lmap[1617], 14)
@@ -59,7 +59,7 @@ class XMLParserTest(unittest.TestCase):
         self.assertEqual(len(self.bsite.bs_res), 35)
 
         # Interacting chains
-        self.assertEqual(self.bsite.interacting_chains, ['A'])
+        self.assertEqual(self.bsite.interacting_chains, ["A"])
 
         # Has Interactions?
         self.assertTrue(self.bsite.has_interactions, True)
@@ -72,8 +72,8 @@ class XMLParserTest(unittest.TestCase):
         hydrophobic1 = self.bsite.hydrophobics[0]
         self.assertEqual(hydrophobic1.dist, 3.67)
         self.assertEqual(hydrophobic1.resnr, 61)
-        self.assertEqual(hydrophobic1.restype, 'ASP')
-        self.assertEqual(hydrophobic1.reschain, 'A')
+        self.assertEqual(hydrophobic1.restype, "ASP")
+        self.assertEqual(hydrophobic1.reschain, "A")
         self.assertEqual(hydrophobic1.ligcarbonidx, 1639)
         self.assertEqual(hydrophobic1.protcarbonidx, 448)
         self.assertEqual(hydrophobic1.ligcoo, (-7.395, 24.225, 6.614))
@@ -83,17 +83,17 @@ class XMLParserTest(unittest.TestCase):
         self.assertEqual(len(self.bsite.hbonds), 6)
         hbond1 = self.bsite.hbonds[0]
         self.assertEqual(hbond1.resnr, 19)
-        self.assertEqual(hbond1.restype, 'GLN')
-        self.assertEqual(hbond1.reschain, 'A')
+        self.assertEqual(hbond1.restype, "GLN")
+        self.assertEqual(hbond1.reschain, "A")
         self.assertTrue(hbond1.sidechain)
         self.assertEqual(hbond1.dist_h_a, 2.16)
         self.assertEqual(hbond1.dist_d_a, 3.11)
         self.assertEqual(hbond1.don_angle, 160.05)
         self.assertTrue(hbond1.protisdon)
         self.assertEqual(hbond1.donoridx, 153)
-        self.assertEqual(hbond1.donortype, 'Nam')
+        self.assertEqual(hbond1.donortype, "Nam")
         self.assertEqual(hbond1.acceptoridx, 1649)
-        self.assertEqual(hbond1.acceptortype, 'N2')
+        self.assertEqual(hbond1.acceptortype, "N2")
         self.assertEqual(hbond1.ligcoo, (2.820, 18.145, 6.806))
         self.assertEqual(hbond1.protcoo, (3.976, 15.409, 7.712))
 
@@ -101,17 +101,17 @@ class XMLParserTest(unittest.TestCase):
         self.assertEqual(len(self.bsite.wbridges), 1)
         wbridge1 = self.bsite.wbridges[0]
         self.assertEqual(wbridge1.resnr, 159)
-        self.assertEqual(wbridge1.restype, 'HIS')
-        self.assertEqual(wbridge1.reschain, 'A')
+        self.assertEqual(wbridge1.restype, "HIS")
+        self.assertEqual(wbridge1.reschain, "A")
         self.assertEqual(wbridge1.dist_a_w, 3.67)
         self.assertEqual(wbridge1.dist_d_w, 3.13)
         self.assertEqual(wbridge1.don_angle, 126.73)
         self.assertEqual(wbridge1.water_angle, 116.36)
         self.assertTrue(wbridge1.protisdon)
         self.assertEqual(wbridge1.donor_idx, 1210)
-        self.assertEqual(wbridge1.donortype, 'Nar')
+        self.assertEqual(wbridge1.donortype, "Nar")
         self.assertEqual(wbridge1.acceptor_idx, 1649)
-        self.assertEqual(wbridge1.acceptortype, 'N2')
+        self.assertEqual(wbridge1.acceptortype, "N2")
         self.assertEqual(wbridge1.ligcoo, (2.820, 18.145, 6.806))
         self.assertEqual(wbridge1.protcoo, (6.401, 19.307, 4.971))
         self.assertEqual(wbridge1.watercoo, (3.860, 18.563, 3.309))
@@ -129,16 +129,16 @@ class XMLParserTest(unittest.TestCase):
         self.assertEqual(len(self.bsite.halogens), 2)
         hal1 = self.bsite.halogens[0]
         self.assertEqual(hal1.resnr, 67)
-        self.assertEqual(hal1.restype, 'TYR')
-        self.assertEqual(hal1.reschain, 'A')
+        self.assertEqual(hal1.restype, "TYR")
+        self.assertEqual(hal1.reschain, "A")
         self.assertTrue(hal1.sidechain)
         self.assertEqual(hal1.dist, 3.37)
         self.assertEqual(hal1.don_angle, 156.70)
         self.assertEqual(hal1.acc_angle, 100.53)
         self.assertEqual(hal1.don_idx, 1627)
-        self.assertEqual(hal1.donortype, 'F')
+        self.assertEqual(hal1.donortype, "F")
         self.assertEqual(hal1.acc_idx, 485)
-        self.assertEqual(hal1.acceptortype, 'O3')
+        self.assertEqual(hal1.acceptortype, "O3")
         self.assertEqual(hal1.ligcoo, (-1.862, 29.303, 4.507))
         self.assertEqual(hal1.protcoo, (-1.005, 26.276, 3.287))