Merge pull request #203 from hjkgrp/more_ligand_fixes

Improve documentation of the test case
hjkgrp · Feb 20, 2024 · 21b7db1 · 21b7db1
2 parents 56ab21b + 04ad929
commit 21b7db1
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/tests/test_ligands.py b/tests/test_ligands.py
@@ -40,7 +40,7 @@ def test_ligands_dict(lig_name):
         for line in lines:
             if 'CHG' in line:
                 # Should be in the following format:
-                # "M  CHGnn8 aaa vvv\n"
+                # "M  CHG  n aaa vvv\n"
                 # Where 'n' the number first number after 'CHG' states how
                 # many atom/charge pairs (8 characters each) follow.
                 n_charges = int(line[6:9])