python_impl.cpp

/* ----------------------------------------------------------------------
   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
   http://lammps.sandia.gov, Sandia National Laboratories
   Steve Plimpton, sjplimp@sandia.gov

   Copyright (2003) Sandia Corporation.  Under the terms of Contract
   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
   certain rights in this software.  This software is distributed under
   the GNU General Public License.

   See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */

/* ----------------------------------------------------------------------
   Contributing author: Richard Berger and Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */

#include <Python.h>
#include "python.h"
#include "force.h"
#include "input.h"
#include "variable.h"
#include "memory.h"
#include "error.h"
#include "python_compat.h"

using namespace LAMMPS_NS;

enum{NONE,INT,DOUBLE,STRING,PTR};

#define VALUELENGTH 64               // also in variable.cpp


/* ---------------------------------------------------------------------- */

PythonImpl::PythonImpl(LAMMPS *lmp) : Pointers(lmp)
{
  ninput = noutput = 0;
  istr = NULL;
  ostr = NULL;
  format = NULL;
  length_longstr = 0;

  // pfuncs stores interface info for each Python function

  nfunc = 0;
  pfuncs = NULL;

  // one-time initialization of Python interpreter
  // pyMain stores pointer to main module
  external_interpreter = Py_IsInitialized();

  Py_Initialize();
  PyEval_InitThreads();

  PyGILState_STATE gstate = PyGILState_Ensure();

  PyObject *pModule = PyImport_AddModule("__main__");
  if (!pModule) error->all(FLERR,"Could not initialize embedded Python");

  pyMain = (void *) pModule;
  PyGILState_Release(gstate);
}

/* ---------------------------------------------------------------------- */

PythonImpl::~PythonImpl()
{
  if(pyMain) {
    // clean up