bugfixed presets prediction time

ersilia-os · Nov 19, 2022 · 33ab8ea · 33ab8ea
1 parent dc29c22
commit 33ab8ea
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Showing 2 changed files with 7 additions and 6 deletions.
diff --git a/zairachem/__init__.py b/zairachem/__init__.py
@@ -101,11 +101,10 @@ def is_train(self):
     def is_lazy(self):
         output_dir = self.get_output_dir()
         model_dir = self.get_trained_dir()
-        with open(os.path.join(output_dir, DATA_SUBFOLDER, PRESETS_FILENAME), "r") as f:
-            data = json.load(f)
-        if data["is_lazy"]:
-            return True
-        with open(os.path.join(model_dir, DATA_SUBFOLDER, PRESETS_FILENAME), "r") as f:
+        file_name = os.path.join(output_dir, DATA_SUBFOLDER, PRESETS_FILENAME)
+        if not os.path.exists(file_name):
+            file_name = os.path.join(model_dir, DATA_SUBFOLDER, PRESETS_FILENAME)
+        with open(file_name, "r") as f:
             data = json.load(f)
         if data["is_lazy"]:
             return True

diff --git a/zairachem/estimators/from_molmap/estimate.py b/zairachem/estimators/from_molmap/estimate.py
@@ -27,7 +27,9 @@ def __init__(self, path):
             self.get_output_dir(), ESTIMATORS_SUBFOLDER, ESTIMATORS_FAMILY_SUBFOLDER
         )
         if _USE_AUGMENTED:
-            if os.path.exists(self.path, DATA_SUBFOLDER, DATA_AUGMENTED_FILENAME):
+            if os.path.exists(
+                os.path.join(self.path, DATA_SUBFOLDER, DATA_AUGMENTED_FILENAME)
+            ):
                 self._data_filename = DATA_AUGMENTED_FILENAME
             else:
                 self._data_filename = DATA_FILENAME