Marked old code as deprecated

2024-01-05 16:10:46 +01:00 · 2024-01-05 16:10:46 +01:00 · b1cb9d99cf
commit b1cb9d99cf
parent 0968ff214c
1 changed files with 5 additions and 2 deletions
--- a/src/mdevaluate/extra/free_energy_landscape.py
+++ b/src/mdevaluate/extra/free_energy_landscape.py
@ -13,8 +13,6 @@ import multiprocessing as mp

 from ..coordinates import Coordinates

-VALID_GEOMETRY = {"cylindrical", "slab"}
-

 def occupation_matrix(
    trajectory: Coordinates,
@ -211,6 +209,11 @@ def find_energy_maxima(
    return pd.DataFrame({"d": distances, "energy": energies})


+# DEPRECATED CODE STARTING FROM HERE
+# LEFT FOR TESTING ONLY
+VALID_GEOMETRY = {"cylindrical", "slab"}
+
+
 def get_fel(
    traj,
    path,