Ensure XML files are opened with UTF-8 encoding

mosdef-hub · Aug 23, 2024 · 2707210 · 2707210
1 parent 3bb4063
commit 2707210
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Showing 2 changed files with 8 additions and 6 deletions.
diff --git a/environment-dev.yml b/environment-dev.yml
@@ -13,7 +13,7 @@ dependencies:
   - openmm
   - parmed>=3.4.3
   - ele
-  - openff-toolkit >=0.11
+  - openff-toolkit-base >=0.11
   - pip
   - pre-commit
   - pytest

diff --git a/foyer/forcefield.py b/foyer/forcefield.py
@@ -66,15 +66,17 @@ def preprocess_forcefield_files(forcefield_files=None):
 
     for xml_file in forcefield_files:
         if not hasattr(xml_file, "read"):
-            f = open(xml_file)
+            try:
+                f = open(xml_file, encoding="utf-8")
+                xml_contents = f.read()
+            finally:
+                f.close()
+
             _, suffix = os.path.split(xml_file)
         else:
-            f = xml_file
+            xml_contents = xml_file.read()
             suffix = ""
 
-        # read and preprocess
-        xml_contents = f.read()
-        f.close()
         xml_contents = re.sub(
             r"(def\w*=\w*[\"\'])(.*)([\"\'])",
             lambda m: m.group(1)