fpembed 0.2.1__tar.gz → 0.2.2__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (43) hide show
  1. {fpembed-0.2.1/src/fpembed.egg-info → fpembed-0.2.2}/PKG-INFO +1 -1
  2. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/__init__.py +1 -1
  3. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/compression.py +21 -0
  4. {fpembed-0.2.1 → fpembed-0.2.2/src/fpembed.egg-info}/PKG-INFO +1 -1
  5. {fpembed-0.2.1 → fpembed-0.2.2}/LICENSE +0 -0
  6. {fpembed-0.2.1 → fpembed-0.2.2}/README.md +0 -0
  7. {fpembed-0.2.1 → fpembed-0.2.2}/pyproject.toml +0 -0
  8. {fpembed-0.2.1 → fpembed-0.2.2}/setup.cfg +0 -0
  9. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/compression_blockwise.py +0 -0
  10. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/compression_projection.py +0 -0
  11. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/compression_projection_cache.py +0 -0
  12. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/dtype_support.py +0 -0
  13. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/embedding_cache.py +0 -0
  14. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/generator.py +0 -0
  15. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/generator_smiles.py +0 -0
  16. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/hashing.py +0 -0
  17. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/input_validation.py +0 -0
  18. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/manifest.py +0 -0
  19. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/py.typed +0 -0
  20. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/skfp_factory.py +0 -0
  21. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/smiles_utils.py +0 -0
  22. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed.egg-info/SOURCES.txt +0 -0
  23. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed.egg-info/dependency_links.txt +0 -0
  24. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed.egg-info/requires.txt +0 -0
  25. {fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed.egg-info/top_level.txt +0 -0
  26. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_cache.py +0 -0
  27. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_compression.py +0 -0
  28. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_compression_blockwise.py +0 -0
  29. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_compression_projection.py +0 -0
  30. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_dtype.py +0 -0
  31. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_dtype_properties.py +0 -0
  32. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_embedding_cache.py +0 -0
  33. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_error_transparency.py +0 -0
  34. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_fingerprints.py +0 -0
  35. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_generator.py +0 -0
  36. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_hashing.py +0 -0
  37. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_input_validation.py +0 -0
  38. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_new_fp_type_matrix.py +0 -0
  39. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_packaging.py +0 -0
  40. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_properties.py +0 -0
  41. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_properties_050.py +0 -0
  42. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_resources_immutability.py +0 -0
  43. {fpembed-0.2.1 → fpembed-0.2.2}/tests/test_smiles_utils.py +0 -0
{fpembed-0.2.1/src/fpembed.egg-info → fpembed-0.2.2}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: fpembed
3
- Version: 0.2.1
3
+ Version: 0.2.2
4
4
  Summary: Generalized fingerprint embedding library
5
5
  License-Expression: MIT
6
6
  Project-URL: Homepage, https://github.com/Sciencealone/FPembed
{fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/__init__.py RENAMED
@@ -25,7 +25,7 @@ from fpembed.smiles_utils import (
25
25
  )
26
26
  from fpembed.hashing import fp_params_hash
27
27
 
28
- __version__ = "0.2.1"
28
+ __version__ = "0.2.2"
29
29
 
30
30
  __all__ = [
31
31
  "EmbeddedFingerprintGenerator",
{fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/compression.py RENAMED
@@ -112,6 +112,27 @@ def _validate_method_params(method: str, method_params: dict) -> None:
112
112
  )
113
113
 
114
114
 
115
+ _METHOD_PARAM_DEFAULTS: dict[str, Any] = {
116
+ "seed": _DEFAULT_SEED,
117
+ "sparse": False,
118
+ "interleave": False,
119
+ }
120
+
121
+
122
+ def _resolve_method_params(method: str, method_params: dict) -> dict:
123
+ """Return every effective method parameter, applying code defaults.
124
+
125
+ Omitted and explicitly-default parameters normalise to the same mapping,
126
+ so two equivalent configurations produce an identical representation
127
+ manifest. Keys come from ``_VALID_PARAMS``; the value defaults mirror the
128
+ ``.get(...)`` calls in the kernels below.
129
+ """
130
+ return {
131
+ key: method_params.get(key, _METHOD_PARAM_DEFAULTS[key])
132
+ for key in sorted(_VALID_PARAMS[method])
133
+ }
134
+
135
+
115
136
  def compress_fingerprint(
116
137
  vector: npt.NDArray[Any],
117
138
  size: int,
{fpembed-0.2.1 → fpembed-0.2.2/src/fpembed.egg-info}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: fpembed
3
- Version: 0.2.1
3
+ Version: 0.2.2
4
4
  Summary: Generalized fingerprint embedding library
5
5
  License-Expression: MIT
6
6
  Project-URL: Homepage, https://github.com/Sciencealone/FPembed
{fpembed-0.2.1 → fpembed-0.2.2}/LICENSE RENAMED
File without changes
{fpembed-0.2.1 → fpembed-0.2.2}/README.md RENAMED
File without changes
{fpembed-0.2.1 → fpembed-0.2.2}/pyproject.toml RENAMED
File without changes
{fpembed-0.2.1 → fpembed-0.2.2}/setup.cfg RENAMED
File without changes
{fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/hashing.py RENAMED
File without changes
{fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/manifest.py RENAMED
File without changes
{fpembed-0.2.1 → fpembed-0.2.2}/src/fpembed/py.typed RENAMED
File without changes
{fpembed-0.2.1 → fpembed-0.2.2}/tests/test_cache.py RENAMED
File without changes
{fpembed-0.2.1 → fpembed-0.2.2}/tests/test_dtype.py RENAMED
File without changes
{fpembed-0.2.1 → fpembed-0.2.2}/tests/test_generator.py RENAMED
File without changes
{fpembed-0.2.1 → fpembed-0.2.2}/tests/test_hashing.py RENAMED
File without changes
{fpembed-0.2.1 → fpembed-0.2.2}/tests/test_packaging.py RENAMED
File without changes