Merge pull request #190 from lbluque/main

Refactor cython code
CederGroupHub · Apr 13, 2022 · b53fa58 · b53fa58
2 parents ce2a82e + e575ca9
commit b53fa58
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Showing 7 changed files with 510 additions and 414 deletions.
diff --git a/setup.py b/setup.py
@@ -81,9 +81,7 @@ def build_extensions(self):
 
 ext = ".pyx" if USE_CYTHON else ".c"
 ext_modules = [
-    Extension(
-        "src.mc_utils", ["src/mc_utils" + ext], language="c", include_dirs=["src/"]
-    )
+    Extension("smol.correlations", ["smol/correlations" + ext], language="c")
 ]
 
 if USE_CYTHON:

diff --git a/smol/cofe/space/clusterspace.py b/smol/cofe/space/clusterspace.py
@@ -37,8 +37,8 @@
 )
 from smol.cofe.space.basis import IndicatorBasis
 from smol.cofe.space.constants import SITE_TOL
+from smol.correlations import corr_from_occupancy
 from smol.exceptions import SYMMETRY_ERROR_MESSAGE, StructureMatchError, SymmetryError
-from src.mc_utils import corr_from_occupancy
 
 __author__ = "Luis Barroso-Luque, William Davidson Richards"