Merge pull request #78 from xiaoruiDong/resonance

Rename rdkit.py in resonance to avoid confusing imports of rdkit
xiaoruiDong · Nov 30, 2023 · 67b5167 · 67b5167
2 parents 9978724 + 29444a4
commit 67b5167
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Showing 6 changed files with 5 additions and 5 deletions.
diff --git a/rdmc/resonance/__init__.py b/rdmc/resonance/__init__.py
@@ -3,5 +3,5 @@
 
 from rdmc.resonance.base import generate_resonance_structures
 # Make sure resonance algorithms are registered
-import rdmc.resonance.rdkit
-import rdmc.resonance.rmg
+import rdmc.resonance.rdkit_backend
+import rdmc.resonance.rmg_backend
diff --git a/rdmc/resonance/rdkit.py → rdmc/resonance/rdkit_backend.py b/rdmc/resonance/rdkit.py → rdmc/resonance/rdkit_backend.py
diff --git a/rdmc/resonance/rmg.py → rdmc/resonance/rmg_backend.py b/rdmc/resonance/rmg.py → rdmc/resonance/rmg_backend.py
diff --git a/test/resonance/test_filtration.py b/test/resonance/test_filtration.py
@@ -35,7 +35,7 @@
     charge_filtration,
     aromaticity_filtration,
 )
-from rdmc.resonance.rmg import (
+from rdmc.resonance.rmg_backend import (
     generate_resonance_structures,
 )
 from rdmc.resonance.utils import get_charge_span

diff --git a/test/resonance/test_rdkit.py → test/resonance/test_rdkit_backend.py b/test/resonance/test_rdkit.py → test/resonance/test_rdkit_backend.py
@@ -9,7 +9,7 @@
 
 from rdkit import Chem
 
-from rdmc.resonance.rdkit import generate_resonance_structures
+from rdmc.resonance.rdkit_backend import generate_resonance_structures
 
 
 smi_params = Chem.SmilesParserParams()

diff --git a/test/resonance/test_rmg_resonance.py → test/resonance/test_rmg_backend.py b/test/resonance/test_rmg_resonance.py → test/resonance/test_rmg_backend.py
@@ -1,6 +1,6 @@
 from rdmc import RDKitMol
 from rdmc.resonance.utils import get_lone_pair, is_aromatic, is_identical
-from rdmc.resonance.rmg import (
+from rdmc.resonance.rmg_backend import (
     _clar_optimization,
     _clar_transformation,
     generate_clar_structures,