Fix code path which allows passing a C++ ptr to PyLammps

python/lammps.py

@@ -53,6 +53,7 @@ class lammps(object):
 
   def __init__(self,name="",cmdargs=None,ptr=None,comm=None):
     self.comm = comm
+    self.opened = 0
 
     # determine module location
 
@@ -133,18 +134,20 @@ class lammps(object):
           # self.lmp = self.lib.lammps_open_no_mpi(0,None)
 
     else:
-      self.opened = 0
       # magic to convert ptr to ctypes ptr
       pythonapi.PyCObject_AsVoidPtr.restype = c_void_p
       pythonapi.PyCObject_AsVoidPtr.argtypes = [py_object]
       self.lmp = c_void_p(pythonapi.PyCObject_AsVoidPtr(ptr))
 
   def __del__(self):
-    if self.lmp and self.opened: self.lib.lammps_close(self.lmp)
+    if self.lmp and self.opened:
+      self.lib.lammps_close(self.lmp)
+      self.opened = 0
 
   def close(self):
     if self.opened: self.lib.lammps_close(self.lmp)
     self.lmp = None
+    self.opened = 0
 
   def version(self):
     return self.lib.lammps_version(self.lmp)
@@ -504,8 +507,7 @@ class PyLammps(object):
       elif isinstance(ptr,lammps):
         self.lmp = ptr
       else:
-        self.lmp = None
-        raise TypeError('Unsupported type passed as "ptr"')
+        self.lmp = lammps(name=name,cmdargs=cmdargs,ptr=ptr,comm=comm)
     else:
       self.lmp = lammps(name=name,cmdargs=cmdargs,ptr=None,comm=comm)
     print("LAMMPS output is captured by PyLammps wrapper")