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

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This commit is contained in:
Richard Berger
2016-10-04 13:57:21 -04:00
parent 91be47a0d0
commit e2caf5c105
1 changed files with 6 additions and 4 deletions
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10
python/lammps.py
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@ -53,6 +53,7 @@ class lammps(object):
def __init__(self,name="",cmdargs=None,ptr=None,comm=None): def __init__(self,name="",cmdargs=None,ptr=None,comm=None):
self.comm = comm self.comm = comm
self.opened = 0
# determine module location # determine module location
@ -133,18 +134,20 @@ class lammps(object):
# self.lmp = self.lib.lammps_open_no_mpi(0,None) # self.lmp = self.lib.lammps_open_no_mpi(0,None)
else: else:
self.opened = 0
# magic to convert ptr to ctypes ptr # magic to convert ptr to ctypes ptr
pythonapi.PyCObject_AsVoidPtr.restype = c_void_p pythonapi.PyCObject_AsVoidPtr.restype = c_void_p
pythonapi.PyCObject_AsVoidPtr.argtypes = [py_object] pythonapi.PyCObject_AsVoidPtr.argtypes = [py_object]
self.lmp = c_void_p(pythonapi.PyCObject_AsVoidPtr(ptr)) self.lmp = c_void_p(pythonapi.PyCObject_AsVoidPtr(ptr))
def __del__(self): 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): def close(self):
if self.opened: self.lib.lammps_close(self.lmp) if self.opened: self.lib.lammps_close(self.lmp)
self.lmp = None self.lmp = None
self.opened = 0
def version(self): def version(self):
return self.lib.lammps_version(self.lmp) return self.lib.lammps_version(self.lmp)
@ -504,8 +507,7 @@ class PyLammps(object):
elif isinstance(ptr,lammps): elif isinstance(ptr,lammps):
self.lmp = ptr self.lmp = ptr
else: else:
self.lmp = None self.lmp = lammps(name=name,cmdargs=cmdargs,ptr=ptr,comm=comm)
raise TypeError('Unsupported type passed as "ptr"')
else: else:
self.lmp = lammps(name=name,cmdargs=cmdargs,ptr=None,comm=comm) self.lmp = lammps(name=name,cmdargs=cmdargs,ptr=None,comm=comm)
print("LAMMPS output is captured by PyLammps wrapper") print("LAMMPS output is captured by PyLammps wrapper")