Commit d95b8e98 authored by Bharath Ramsundar's avatar Bharath Ramsundar
Browse files

Fixing some failing test cases caused by typos/reload

parent 0571c144

deepchem/feat/graph_features.py

+2 −0
Original line number Diff line number Diff line
@@ -448,6 +448,8 @@ def max_pair_distance_pairs(mol: RDKitMol, 
    raise ValueError(

        "max_pair_distance must either be a positive integer or the string 'infinity'"

    )

  else:

    max_distance = max_pair_distance

  adj = rdmolops.GetAdjacencyMatrix(mol)

  # Handle edge case of self-pairs (i, i)

  sum_adj = np.eye(N)

deepchem/models/tests/test_weave_models.py

+3 −2
Original line number Diff line number Diff line
@@ -16,9 +16,10 @@ from flaky import flaky 
def get_dataset(mode='classification', featurizer='GraphConv', num_tasks=2):

  data_points = 20

  if mode == 'classification':

    tasks, all_dataset, transformers = load_bace_classification(featurizer)

    tasks, all_dataset, transformers = load_bace_classification(

        featurizer, reload=False)

  else:

    tasks, all_dataset, transformers = load_delaney(featurizer)

    tasks, all_dataset, transformers = load_delaney(featurizer, reload=False)



  train, valid, test = all_dataset

  for i in range(1, num_tasks):

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