Farnaz Heidar-Zadeh commited on
Commit
b3e7016
Β·
1 Parent(s): b98fe00

Rename DiverseSelector to selector

Browse files
{DiverseSelector β†’ selector}/__init__.py RENAMED
@@ -21,9 +21,9 @@
21
  #
22
  # --
23
 
24
- """The main DiverseSelector Package."""
25
 
26
- from DiverseSelector.methods import *
27
 
28
 
29
  # Handle versioneer
 
21
  #
22
  # --
23
 
24
+ """Selector Package."""
25
 
26
+ from selector.methods import *
27
 
28
 
29
  # Handle versioneer
{DiverseSelector β†’ selector}/_version.py RENAMED
File without changes
{DiverseSelector β†’ selector}/converter.py RENAMED
File without changes
{DiverseSelector β†’ selector}/distance.py RENAMED
File without changes
{DiverseSelector β†’ selector}/diversity.py RENAMED
@@ -27,7 +27,7 @@ import warnings
27
  from typing import List
28
 
29
  import numpy as np
30
- from DiverseSelector.distance import tanimoto
31
 
32
 
33
  __all__ = [
 
27
  from typing import List
28
 
29
  import numpy as np
30
+ from selector.distance import tanimoto
31
 
32
 
33
  __all__ = [
{DiverseSelector β†’ selector}/methods/__init__.py RENAMED
@@ -21,6 +21,6 @@
21
  #
22
  # --
23
 
24
- from DiverseSelector.methods.dissimilarity import *
25
- from DiverseSelector.methods.partition import *
26
- from DiverseSelector.methods.similarity import *
 
21
  #
22
  # --
23
 
24
+ from selector.methods.dissimilarity import *
25
+ from selector.methods.partition import *
26
+ from selector.methods.similarity import *
{DiverseSelector β†’ selector}/methods/base.py RENAMED
File without changes
{DiverseSelector β†’ selector}/methods/dissimilarity.py RENAMED
@@ -24,8 +24,8 @@
24
  import numpy as np
25
  from scipy import spatial
26
 
27
- from DiverseSelector.methods.base import SelectionBase
28
- from DiverseSelector.methods.utils import optimize_radius
29
 
30
 
31
  __all__ = [
 
24
  import numpy as np
25
  from scipy import spatial
26
 
27
+ from selector.methods.base import SelectionBase
28
+ from selector.methods.utils import optimize_radius
29
 
30
 
31
  __all__ = [
{DiverseSelector β†’ selector}/methods/partition.py RENAMED
@@ -28,9 +28,9 @@ import math
28
  import bitarray
29
  import scipy.spatial
30
 
31
- from DiverseSelector.methods.base import SelectionBase
32
- from DiverseSelector.diversity import compute_diversity, hypersphere_overlap_of_subset
33
- from DiverseSelector.methods.utils import optimize_radius
34
  import numpy as np
35
  from scipy import spatial
36
 
 
28
  import bitarray
29
  import scipy.spatial
30
 
31
+ from selector.methods.base import SelectionBase
32
+ from selector.diversity import compute_diversity, hypersphere_overlap_of_subset
33
+ from selector.methods.utils import optimize_radius
34
  import numpy as np
35
  from scipy import spatial
36
 
{DiverseSelector β†’ selector}/methods/similarity.py RENAMED
@@ -40,7 +40,7 @@ from math import log
40
  import random
41
  from typing import List, Optional, Union
42
 
43
- from DiverseSelector.methods.base import SelectionBase
44
  import numpy as np
45
 
46
 
@@ -808,6 +808,7 @@ class SimilarityIndex:
808
  # index they calculate. The _nw suffix indicates that the similarity index is not weighted.
809
  # More information about the similarity indexes can be found in the following paper:
810
 
 
811
  def _ac_nw(counters: dict) -> float:
812
  """Calculate the Austin-Colwell (AC) similarity index.
813
 
 
40
  import random
41
  from typing import List, Optional, Union
42
 
43
+ from selector.methods.base import SelectionBase
44
  import numpy as np
45
 
46
 
 
808
  # index they calculate. The _nw suffix indicates that the similarity index is not weighted.
809
  # More information about the similarity indexes can be found in the following paper:
810
 
811
+
812
  def _ac_nw(counters: dict) -> float:
813
  """Calculate the Austin-Colwell (AC) similarity index.
814
 
{DiverseSelector β†’ selector}/methods/tests/__init__.py RENAMED
File without changes
{DiverseSelector β†’ selector}/methods/tests/common.py RENAMED
File without changes
{DiverseSelector β†’ selector}/methods/tests/test_dissimilarity.py RENAMED
@@ -23,11 +23,11 @@
23
  """Test Dissimilarity-Based Selection Methods."""
24
 
25
 
26
- from DiverseSelector.methods.dissimilarity import MaxMin, MaxSum, OptiSim
27
  import numpy as np
28
  from numpy.testing import assert_equal
29
  from sklearn.metrics import pairwise_distances
30
- from DiverseSelector.methods.tests.common import generate_synthetic_data
31
  import pytest
32
 
33
 
 
23
  """Test Dissimilarity-Based Selection Methods."""
24
 
25
 
26
+ from selector.methods.dissimilarity import MaxMin, MaxSum, OptiSim
27
  import numpy as np
28
  from numpy.testing import assert_equal
29
  from sklearn.metrics import pairwise_distances
30
+ from selector.methods.tests.common import generate_synthetic_data
31
  import pytest
32
 
33
 
{DiverseSelector β†’ selector}/methods/tests/test_partition.py RENAMED
@@ -26,12 +26,12 @@ import numpy as np
26
  from numpy.testing import assert_equal, assert_raises
27
  import pytest
28
 
29
- from DiverseSelector.methods.partition import (
30
  DirectedSphereExclusion,
31
  GridPartitioning,
32
  Medoid,
33
  )
34
- from DiverseSelector.methods.tests.common import generate_synthetic_data
35
 
36
 
37
  def test_directed_sphere_size_error():
@@ -96,11 +96,11 @@ def test_directed_sphere_on_line_with_larger_radius():
96
  [0, 1],
97
  [0, 1.1],
98
  [0, 1.2],
99
- [0, 2],
100
- [0, 3],
101
- [0, 3.1],
102
  [0, 3.2],
103
- [0, 4],
104
  [0, 5],
105
  ]
106
  )
 
26
  from numpy.testing import assert_equal, assert_raises
27
  import pytest
28
 
29
+ from selector.methods.partition import (
30
  DirectedSphereExclusion,
31
  GridPartitioning,
32
  Medoid,
33
  )
34
+ from selector.methods.tests.common import generate_synthetic_data
35
 
36
 
37
  def test_directed_sphere_size_error():
 
96
  [0, 1],
97
  [0, 1.1],
98
  [0, 1.2],
99
+ [0, 2],
100
+ [0, 3],
101
+ [0, 3.1],
102
  [0, 3.2],
103
+ [0, 4],
104
  [0, 5],
105
  ]
106
  )
{DiverseSelector β†’ selector}/methods/utils.py RENAMED
File without changes
{DiverseSelector β†’ selector}/tests/__init__.py RENAMED
File without changes
{DiverseSelector β†’ selector}/tests/common.py RENAMED
File without changes
{DiverseSelector β†’ selector}/tests/data/ref_similarity_data.csv RENAMED
File without changes
{DiverseSelector β†’ selector}/tests/test_converter.py RENAMED
@@ -23,7 +23,7 @@
23
 
24
  """Testing for Converter.py."""
25
 
26
- import DiverseSelector.converter as cv
27
  import numpy as np
28
  from numpy.testing import assert_almost_equal, assert_equal, assert_raises
29
 
 
23
 
24
  """Testing for Converter.py."""
25
 
26
+ import selector.converter as cv
27
  import numpy as np
28
  from numpy.testing import assert_almost_equal, assert_equal, assert_raises
29
 
{DiverseSelector β†’ selector}/tests/test_distance.py RENAMED
@@ -24,7 +24,7 @@
24
  """Test distance.py Module."""
25
 
26
 
27
- from DiverseSelector.distance import (
28
  pairwise_similarity_bit,
29
  tanimoto,
30
  modified_tanimoto,
 
24
  """Test distance.py Module."""
25
 
26
 
27
+ from selector.distance import (
28
  pairwise_similarity_bit,
29
  tanimoto,
30
  modified_tanimoto,
{DiverseSelector β†’ selector}/tests/test_diversity.py RENAMED
@@ -26,7 +26,7 @@
26
  import pytest
27
  import numpy as np
28
  from numpy.testing import assert_almost_equal, assert_equal, assert_raises, assert_warns
29
- from DiverseSelector.diversity import (
30
  compute_diversity,
31
  gini_coefficient,
32
  explicit_diversity_index,
 
26
  import pytest
27
  import numpy as np
28
  from numpy.testing import assert_almost_equal, assert_equal, assert_raises, assert_warns
29
+ from selector.diversity import (
30
  compute_diversity,
31
  gini_coefficient,
32
  explicit_diversity_index,
{DiverseSelector β†’ selector}/tests/test_similarity.py RENAMED
@@ -29,7 +29,7 @@ import numpy as np
29
  from numpy.testing import assert_almost_equal, assert_equal, assert_raises
30
  import pkg_resources
31
  import pytest
32
- from DiverseSelector.methods.similarity import NSimilarity, SimilarityIndex
33
 
34
 
35
  def test_SimilarityIndex_init_raises():
 
29
  from numpy.testing import assert_almost_equal, assert_equal, assert_raises
30
  import pkg_resources
31
  import pytest
32
+ from selector.methods.similarity import NSimilarity, SimilarityIndex
33
 
34
 
35
  def test_SimilarityIndex_init_raises():
setup.py CHANGED
@@ -41,7 +41,7 @@ except ValueError:
41
 
42
 
43
  setup(
44
- name="DiverseSelector",
45
  author="QC-Devs Community",
46
  author_email="qcdevs@gmail.com",
47
  description=short_description,
@@ -50,44 +50,38 @@ setup(
50
  version=versioneer.get_version(),
51
  cmdclass=versioneer.get_cmdclass(),
52
  license="GNU (Version 3)",
53
-
54
- package_dir={"DiverseSelector": "DiverseSelector"},
55
- packages=["DiverseSelector",
56
- "DiverseSelector.methods",
57
- "DiverseSelector.tests",
58
- "DiverseSelector.methods.tests"],
59
-
60
  # Optional include package data to ship with your package
61
  # Customize MANIFEST.in if the general case does not suit your needs
62
  # Comment out this line to prevent the files from being packaged with your software
63
  include_package_data=True,
64
-
65
  # Allows `setup.py test` to work correctly with pytest
66
- setup_requires=["numpy>=1.21.2",
67
- "scipy==1.11.1",
68
- "pytest>=6.2.4",
69
- "scikit-learn",
70
- "bitarray",
71
- ] + pytest_runner,
72
-
 
73
  # Additional entries you may want simply uncomment the lines you want and fill in the data
74
  url="https://github.com/theochem/DiverseSelector", # Website
75
- install_requires=["numpy>=1.21.2",
76
- "scipy==1.11.1",
77
- "pytest>=6.2.4",
78
- "scikit-learn",
79
- "bitarray",
80
- ],
 
81
  # platforms=["Linux",
82
  # "Mac OS-X",
83
  # "Unix",
84
  # "Windows"],
85
  # Python version restrictions
86
  python_requires=">=3.7",
87
-
88
  # Manual control if final package is compressible or not, set False to prevent the .egg
89
  # from being made
90
  # zip_safe=False,
91
-
92
  # todo: add classifiers
93
  )
 
41
 
42
 
43
  setup(
44
+ name="selector",
45
  author="QC-Devs Community",
46
  author_email="qcdevs@gmail.com",
47
  description=short_description,
 
50
  version=versioneer.get_version(),
51
  cmdclass=versioneer.get_cmdclass(),
52
  license="GNU (Version 3)",
53
+ package_dir={"selector": "selector"},
54
+ packages=["selector", "selector.methods", "selector.tests", "selector.methods.tests"],
 
 
 
 
 
55
  # Optional include package data to ship with your package
56
  # Customize MANIFEST.in if the general case does not suit your needs
57
  # Comment out this line to prevent the files from being packaged with your software
58
  include_package_data=True,
 
59
  # Allows `setup.py test` to work correctly with pytest
60
+ setup_requires=[
61
+ "numpy>=1.21.2",
62
+ "scipy==1.11.1",
63
+ "pytest>=6.2.4",
64
+ "scikit-learn",
65
+ "bitarray",
66
+ ]
67
+ + pytest_runner,
68
  # Additional entries you may want simply uncomment the lines you want and fill in the data
69
  url="https://github.com/theochem/DiverseSelector", # Website
70
+ install_requires=[
71
+ "numpy>=1.21.2",
72
+ "scipy==1.11.1",
73
+ "pytest>=6.2.4",
74
+ "scikit-learn",
75
+ "bitarray",
76
+ ],
77
  # platforms=["Linux",
78
  # "Mac OS-X",
79
  # "Unix",
80
  # "Windows"],
81
  # Python version restrictions
82
  python_requires=">=3.7",
 
83
  # Manual control if final package is compressible or not, set False to prevent the .egg
84
  # from being made
85
  # zip_safe=False,
 
86
  # todo: add classifiers
87
  )