Gromacs interface understands "~" in path name to executable

shirtsgroup · Mar 3, 2018 · d1836e7 · d1836e7
1 parent a6dbb47
commit d1836e7
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/physical_validation/util/gromacs_interface.py b/physical_validation/util/gromacs_interface.py
@@ -71,6 +71,8 @@ def exe(self):
 
     @exe.setter
     def exe(self, exe):
+        # expand '~/bin' to '/home/user/bin'
+        exe = os.path.expanduser(exe)
         if self._check_exe(exe=exe):
             if os.path.dirname(exe):
                 exe = os.path.abspath(exe)