warning messages

chembl · Dec 26, 2024 · 931b77f · 931b77f
1 parent 2625005
commit 931b77f
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Showing 2 changed files with 4 additions and 10 deletions.
diff --git a/FPSim2/io/backends/pytables.py b/FPSim2/io/backends/pytables.py
@@ -283,11 +283,8 @@ def __init__(
             self.chunk_size = fp_file.root.fps.chunkshape[0] * 120
         if self.rdkit_ver != rdkit.__version__:
             print(
-                f"Warning: Database was created with RDKit version {self.rdkit_ver} but installed version is {rdkit.__version__}"
-            )
-        if self.fpsim2_ver != __version__:
-            print(
-                f"Warning: Database was created with FPSim2 version {self.fpsim2_ver} but installed version is {__version__}"
+                f"Warning: Database was created with RDKit version {self.rdkit_ver} but installed version is {rdkit.__version__}. "
+                "Please ensure there were no relevant changes in RDKit regarding fingerprint generation between these versions."
             )
 
     def read_parameters(self) -> Tuple[str, Dict[str, Dict[str, dict]], str]:

diff --git a/FPSim2/io/backends/sqla.py b/FPSim2/io/backends/sqla.py
@@ -134,11 +134,8 @@ def __init__(self, conn_url: str, table_name: str, pg_schema: str) -> None:
         self.load_popcnt_bins()
         if self.rdkit_ver != rdkit.__version__:
             print(
-                f"Warning: Database was created with RDKit version {self.rdkit_ver} but installed version is {rdkit.__version__}"
-            )
-        if self.fpsim2_ver != __version__:
-            print(
-                f"Warning: Database was created with FPSim2 version {self.fpsim2_ver} but installed version is {__version__}"
+                f"Warning: Database was created with RDKit version {self.rdkit_ver} but installed version is {rdkit.__version__}. "
+                "Please ensure there were no relevant changes in RDKit regarding fingerprint generation between these versions."
             )
 
     def read_parameters(self) -> Tuple[str, Dict[str, Dict[str, dict]], str]: