Exclude sander.LES from allowed executables.

OpenBioSim · Jul 11, 2024 · edadeee · edadeee
1 parent c8246ed
commit edadeee
Showing 1 changed file with 5 additions and 3 deletions.
diff --git a/python/BioSimSpace/Process/_amber.py b/python/BioSimSpace/Process/_amber.py
@@ -2856,9 +2856,11 @@ def is_exe(fpath):
             # order their path accordingly, or use the exe keyword argument.
             if results:
                 for exe in results:
-                    exe = _pathlib.Path(p) / exe
-                    if is_exe(exe):
-                        return str(exe)
+                    # Exclude "locally enhanced sampling" executables.
+                    if "LES" not in exe:
+                        exe = _pathlib.Path(p) / exe
+                        if is_exe(exe):
+                            return str(exe)
 
     msg = (
         "'BioSimSpace.Process.Amber' is not supported. "