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Filter update #67

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merged 29 commits into from
Oct 14, 2024
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fa27bfd
remove unnecessary inits and refactor
frederik-sandfort1 Aug 19, 2024
b706268
include smarts filter, smiles filter, descriptors filter
frederik-sandfort1 Aug 20, 2024
476d65a
Fix wrong typing that caused thousands of type ignores
frederik-sandfort1 Aug 20, 2024
f14b71a
linting and fix element number test
frederik-sandfort1 Aug 20, 2024
e3f5d2d
Merge branch 'main' into filter_update
frederik-sandfort1 Aug 21, 2024
c352144
reset name typing
frederik-sandfort1 Aug 21, 2024
5c95f81
Christians first review
frederik-sandfort1 Aug 22, 2024
16088db
more changes
frederik-sandfort1 Aug 22, 2024
b2ca26d
linting
frederik-sandfort1 Aug 22, 2024
81ffb7c
pylint
frederik-sandfort1 Aug 22, 2024
9fed198
rewrite filter logic (#71)
c-w-feldmann Aug 22, 2024
f49cb70
Combine filters with one base logic
frederik-sandfort1 Aug 22, 2024
91feed1
change dict to Mapping
c-w-feldmann Aug 22, 2024
1d70f17
Merge branch 'main' into filter_update
frederik-sandfort1 Aug 26, 2024
93e6183
isort
frederik-sandfort1 Aug 26, 2024
cd18310
Include comments
frederik-sandfort1 Sep 12, 2024
c0427ab
linting
frederik-sandfort1 Sep 12, 2024
cfdfd83
linting and ComplexFilter
frederik-sandfort1 Sep 12, 2024
b843657
typing, tests, complex filter naming
frederik-sandfort1 Sep 12, 2024
a93344c
finalize filter refactoring
frederik-sandfort1 Sep 12, 2024
235c8f8
Merge branch 'main' into filter_update
frederik-sandfort1 Oct 1, 2024
47d4d90
review Christian
frederik-sandfort1 Oct 1, 2024
1f8dc1c
pylint
frederik-sandfort1 Oct 1, 2024
d345191
include check for failed patterns in init
frederik-sandfort1 Oct 7, 2024
08d58f4
final review
frederik-sandfort1 Oct 7, 2024
ede7d39
final linting
frederik-sandfort1 Oct 7, 2024
222675c
final final linting
frederik-sandfort1 Oct 7, 2024
30e5701
final final final linting
frederik-sandfort1 Oct 7, 2024
aa2ab98
Merge branch 'main' into filter_update
frederik-sandfort1 Oct 14, 2024
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7 changes: 5 additions & 2 deletions molpipeline/abstract_pipeline_elements/mol2mol/__init__.py
Original file line number Diff line number Diff line change
@@ -1,5 +1,8 @@
"""Initialize the module for abstract mol2mol elements."""

from molpipeline.abstract_pipeline_elements.mol2mol.filter import BasePatternsFilter
from molpipeline.abstract_pipeline_elements.mol2mol.filter import (
BaseKeepMatchesFilter,
BasePatternsFilter,
)

__all__ = ["BasePatternsFilter"]
__all__ = ["BasePatternsFilter", "BaseKeepMatchesFilter"]
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