Merge pull request #32 from richardjgowers/box_check_v2

Box check v2
MDAnalysis · Jul 16, 2024 · b66b906 · b66b906
2 parents 1e95e0d + 794fdd7
commit b66b906
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Showing 4 changed files with 517 additions and 10 deletions.
diff --git a/distopia/__init__.py b/distopia/__init__.py
@@ -3,12 +3,30 @@
 from ._distopia import (
     calc_bonds_ortho,
     calc_bonds_no_box,
-    calc_bonds_triclinic
+    calc_bonds_triclinic,
+    calc_angles_no_box,
+    calc_angles_ortho,
+    calc_angles_triclinic,
+    calc_dihedrals_no_box,
+    calc_dihedrals_ortho,
+    calc_dihedrals_triclinic,
+    calc_distance_array_no_box,
+    calc_distance_array_ortho,
+    calc_distance_array_triclinic,
 )
 
 __all__ = [
     'calc_bonds_ortho',
     'calc_bonds_no_box',
     'calc_bonds_triclinic',
+    'calc_angles_no_box',
+    'calc_angles_ortho',
+    'calc_angles_triclinic',
+    'calc_dihedrals_no_box',
+    'calc_dihedrals_ortho',
+    'calc_dihedrals_triclinic',
+    'calc_distance_array_no_box',
+    'calc_distance_array_ortho',
+    'calc_distance_array_triclinic',
     '__version__',
 ]