Commit 1c4a3131 authored by nd-02110114's avatar nd-02110114
Browse files

🚨 apply flake8 in trans

parent 99651bfb
Loading
Loading
Loading
Loading
+2 −0
Original line number Diff line number Diff line
"""
Gathers all transformers in one place for convenient imports
"""
# flake8: noqa

from deepchem.trans.transformers import undo_transforms
from deepchem.trans.transformers import undo_grad_transforms
from deepchem.trans.transformers import Transformer
+3 −4
Original line number Diff line number Diff line
@@ -99,7 +99,6 @@ class DuplicateBalancingTransformer(Transformer):
    self.classes = sorted(np.unique(y))
    # Remove labels with zero weights
    y = y[w != 0]
    N = len(y)
    class_weights = []
    # Note that we may have 0 elements of a given class since we remove those
    # labels with zero weight.
+3 −3
Original line number Diff line number Diff line
import os
import deepchem as dc
import numpy as np

import deepchem as dc


def test_DAG_transformer():
  """Tests the DAG transformer."""
  np.random.seed(123)
  n_tasks = 1

  # Load mini log-solubility dataset.
  current_dir = os.path.dirname(os.path.abspath(__file__))
@@ -15,7 +15,7 @@ def test_DAG_transformer():
  input_file = os.path.join(current_dir,
                            "../../models/tests/example_regression.csv")
  loader = dc.data.CSVLoader(
      tasks=tasks, smiles_field="smiles", featurizer=featurizer)
      tasks=tasks, feature_field="smiles", featurizer=featurizer)
  dataset = loader.create_dataset(input_file)
  transformer = dc.trans.DAGTransformer(max_atoms=50)
  dataset = transformer.transform(dataset)
+4 −4
Original line number Diff line number Diff line
import os
import numpy as np
import deepchem as dc
import itertools
import tempfile

import numpy as np

import deepchem as dc


def test_binary_1d():
  """Test balancing transformer on single-task dataset without explicit task dimension."""
@@ -130,7 +131,6 @@ def test_multiclass_singletask():
  for ind, task in enumerate(dataset.get_task_names()):
    y_task = y_t[:, ind]
    w_task = w_t[:, ind]
    w_orig_task = w[:, ind]
    # Check that sum of 0s equals sum of 1s in transformed for each task
    for i, j in itertools.product(range(n_classes), range(n_classes)):
      if i == j:
+3 −4
Original line number Diff line number Diff line
import os
import deepchem as dc
import numpy as np

import deepchem as dc


def load_gaussian_cdf_data():
  """Load example with numbers sampled from Gaussian normal distribution.
@@ -26,8 +27,7 @@ def test_cdf_X_transformer():
  bins = 1001
  cdf_transformer = dc.trans.CDFTransformer(
      transform_X=True, dataset=gaussian_dataset, bins=bins)
  X, y, w, ids = (gaussian_dataset.X, gaussian_dataset.y, gaussian_dataset.w,
                  gaussian_dataset.ids)
  y, w, ids = (gaussian_dataset.y, gaussian_dataset.w, gaussian_dataset.ids)
  gaussian_dataset = cdf_transformer.transform(gaussian_dataset)
  X_t, y_t, w_t, ids_t = (gaussian_dataset.X, gaussian_dataset.y,
                          gaussian_dataset.w, gaussian_dataset.ids)
@@ -85,4 +85,3 @@ def test_cdf_y_transformer():
  # Check that untransform does the right thing.
  y_restored = cdf_transformer.untransform(y_t)
  assert np.max(y_restored - y) < 1e-5
  #np.testing.assert_allclose(y_restored, y)
Loading