sdf mol writer impl

CueMol · Sep 15, 2024 · 2469021 · 2469021
1 parent d07e16e
commit 2469021
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Showing 13 changed files with 471 additions and 369 deletions.
diff --git a/pymod/pyproject.toml b/pymod/pyproject.toml
@@ -19,3 +19,18 @@ wheel.packages = ["python/cuemol"]
 
 # [tool.scikit-build.wheel.packages]
 # "example/mypackage" = "python/mypackage"
+
+[tool.black]
+line-length = 88
+target-version = ["py38"]
+
+[tool.isort]
+default_section = "THIRDPARTY"
+ensure_newline_before_comments = true
+force_grid_wrap = 0
+force_single_line = false
+include_trailing_comma = true
+known_first_party = ["pfdock", "pfdock_internal"]
+line_length = 88
+multi_line_output = 3
+use_parentheses = true