fixed function namspace

choderalab · Jul 14, 2023 · a0a6a64 · a0a6a64
1 parent 3d3149f
commit a0a6a64
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/espaloma/__init__.py b/espaloma/__init__.py
@@ -8,6 +8,7 @@
 from .graphs.graph import Graph
 from .metrics import GraphMetric
 from .mm.geometry import *
+from .utils.model_fetch import get_model, get_model_path
 
 # Add imports here
 # import espaloma

diff --git a/espaloma/utils/tests/test_model_fetch.py b/espaloma/utils/tests/test_model_fetch.py
@@ -1,12 +1,11 @@
 import espaloma as esp
 import torch
-from espaloma.utils.model_fetch import get_model, get_model_path
 from openff.toolkit.topology import Molecule
 
 
 def test_get_model_path(tmp_path):
  model_dir = tmp_path / "latest"
- model_path = get_model_path(model_dir=model_dir, disable_progress_bar=True)
+ model_path = esp.get_model_path(model_dir=model_dir, disable_progress_bar=True)
 
  molecule = Molecule.from_smiles("CN1C=NC2=C1C(=O)N(C(=O)N2C)C")
  molecule_graph = esp.Graph(molecule)
@@ -19,7 +18,7 @@ def test_get_model_path(tmp_path):
 def test_get_model(tmp_path):
  model_dir = tmp_path / "zoo"
 
- espaloma_model = get_model()
+ espaloma_model = esp.get_model()
 
  molecule = Molecule.from_smiles("CN1C=NC2=C1C(=O)N(C(=O)N2C)C")
  molecule_graph = esp.Graph(molecule)