Clean up after renaming back to fix python/move

examples/python/README.fix_python_move

@@ -2,7 +2,7 @@ This folder contains several LAMMPS input scripts and a python module
 file py_nve.py to demonstrate the use of the fix style python/move
 to reimplement NVE using Python.
 
-in.fix_python_nve_melt:
+in.fix_python_move_nve_melt:
 This is a version of the melt example which replaces the default NVE integrator
 with a Python implementation. Fix python/move is used to create an
 instance of the py_nve.NVE class which implements the required interface.
@@ -10,7 +10,7 @@ It demonstrates how to access LAMMPS data as numpy arrays. This gives direct
 access to memory owned by the C++ code, allows easy manipulation through numpy
 operations and avoids unnecessary copies.
 
-in.fix_python_nve_melt_opt:
+in.fix_python_move_nve_melt_opt:
 This version of melt example uses NVE_Opt instead of NVE. While this Python
 implementation is still much slower than the native version, it shows that
 simple code transformations can lead to speedups.

src/.gitignore

@@ -908,8 +908,8 @@
 /python_impl.cpp
 /python_impl.h
 /python_compat.h
-/fix_move_python.cpp
-/fix_move_python.h
+/fix_python_move.cpp
+/fix_python_move.h
 /fix_python.cpp
 /fix_python.h
 /pair_python.cpp

src/PYTHON/fix_python_move.cpp

@@ -42,7 +42,7 @@ FixPythonMove::FixPythonMove(LAMMPS *lmp, int narg, char **arg) :
 
   python->init();
 
-  py_integrator = NULL;
+  py_move = NULL;
 
   PyGILState_STATE gstate = PyGILState_Ensure();
 
@@ -80,8 +80,8 @@ FixPythonMove::FixPythonMove(LAMMPS *lmp, int narg, char **arg) :
   // create LAMMPS atom type to potential file type mapping in python class
   // by calling 'lammps_pair_style.map_coeff(name,type)'
 
-  PyObject *py_integrator_type = PyObject_GetAttrString(pModule, cls_name);
-  if (!py_integrator_type) {
+  PyObject *py_move_type = PyObject_GetAttrString(pModule, cls_name);
+  if (!py_move_type) {
     PyErr_Print();
     PyErr_Clear();
     PyGILState_Release(gstate);
@@ -93,10 +93,10 @@ FixPythonMove::FixPythonMove(LAMMPS *lmp, int narg, char **arg) :
 
   PyObject * ptr = PY_VOID_POINTER(lmp);
   PyObject * arglist = Py_BuildValue("(O)", ptr);
-  PyObject * py_integrator_obj = PyObject_CallObject(py_integrator_type, arglist);
+  PyObject * py_move_obj = PyObject_CallObject(py_move_type, arglist);
   Py_DECREF(arglist);
 
-  if (!py_integrator_obj) {
+  if (!py_move_obj) {
     PyErr_Print();
     PyErr_Clear();
     PyGILState_Release(gstate);
@@ -104,7 +104,7 @@ FixPythonMove::FixPythonMove(LAMMPS *lmp, int narg, char **arg) :
   }
 
   // check object interface
-  py_integrator = (void *) py_integrator_obj;
+  py_move = (void *) py_move_obj;
 
   PyGILState_Release(gstate);
 }
@@ -114,7 +114,7 @@ FixPythonMove::FixPythonMove(LAMMPS *lmp, int narg, char **arg) :
 FixPythonMove::~FixPythonMove()
 {
   PyGILState_STATE gstate = PyGILState_Ensure();
-  if(py_integrator) Py_DECREF((PyObject*) py_integrator);
+  if(py_move) Py_DECREF((PyObject*) py_move);
   PyGILState_Release(gstate);
 }
 
@@ -135,8 +135,8 @@ int FixPythonMove::setmask()
 void FixPythonMove::init()
 {
   PyGILState_STATE gstate = PyGILState_Ensure();
-  PyObject *py_integrator_obj = (PyObject *) py_integrator;
-  PyObject *py_init = PyObject_GetAttrString(py_integrator_obj,"init");
+  PyObject *py_move_obj = (PyObject *) py_move;
+  PyObject *py_init = PyObject_GetAttrString(py_move_obj,"init");
   if (!py_init) {
     PyErr_Print();
     PyErr_Clear();
@@ -152,8 +152,8 @@ void FixPythonMove::init()
 void FixPythonMove::initial_integrate(int vflag)
 {
   PyGILState_STATE gstate = PyGILState_Ensure();
-  PyObject *py_integrator_obj = (PyObject *) py_integrator;
-  PyObject *py_initial_integrate = PyObject_GetAttrString(py_integrator_obj,"initial_integrate");
+  PyObject *py_move_obj = (PyObject *) py_move;
+  PyObject *py_initial_integrate = PyObject_GetAttrString(py_move_obj,"initial_integrate");
   if (!py_initial_integrate) {
     PyErr_Print();
     PyErr_Clear();
@@ -171,8 +171,8 @@ void FixPythonMove::initial_integrate(int vflag)
 void FixPythonMove::final_integrate()
 {
   PyGILState_STATE gstate = PyGILState_Ensure();
-  PyObject *py_integrator_obj = (PyObject *) py_integrator;
-  PyObject *py_final_integrate = PyObject_GetAttrString(py_integrator_obj,"final_integrate");
+  PyObject *py_move_obj = (PyObject *) py_move;
+  PyObject *py_final_integrate = PyObject_GetAttrString(py_move_obj,"final_integrate");
   if (!py_final_integrate) {
     PyErr_Print();
     PyErr_Clear();
@@ -188,8 +188,8 @@ void FixPythonMove::final_integrate()
 void FixPythonMove::initial_integrate_respa(int vflag, int ilevel, int iloop)
 {
   PyGILState_STATE gstate = PyGILState_Ensure();
-  PyObject *py_integrator_obj = (PyObject *) py_integrator;
-  PyObject *py_initial_integrate_respa = PyObject_GetAttrString(py_integrator_obj,"initial_integrate_respa");
+  PyObject *py_move_obj = (PyObject *) py_move;
+  PyObject *py_initial_integrate_respa = PyObject_GetAttrString(py_move_obj,"initial_integrate_respa");
   if (!py_initial_integrate_respa) {
     PyErr_Print();
     PyErr_Clear();
@@ -207,8 +207,8 @@ void FixPythonMove::initial_integrate_respa(int vflag, int ilevel, int iloop)
 void FixPythonMove::final_integrate_respa(int ilevel, int iloop)
 {
   PyGILState_STATE gstate = PyGILState_Ensure();
-  PyObject *py_integrator_obj = (PyObject *) py_integrator;
-  PyObject *py_final_integrate_respa = PyObject_GetAttrString(py_integrator_obj,"final_integrate_respa");
+  PyObject *py_move_obj = (PyObject *) py_move;
+  PyObject *py_final_integrate_respa = PyObject_GetAttrString(py_move_obj,"final_integrate_respa");
   if (!py_final_integrate_respa) {
     PyErr_Print();
     PyErr_Clear();
@@ -226,8 +226,8 @@ void FixPythonMove::final_integrate_respa(int ilevel, int iloop)
 void FixPythonMove::reset_dt()
 {
   PyGILState_STATE gstate = PyGILState_Ensure();
-  PyObject *py_integrator_obj = (PyObject *) py_integrator;
-  PyObject *py_reset_dt = PyObject_GetAttrString(py_integrator_obj,"reset_dt");
+  PyObject *py_move_obj = (PyObject *) py_move;
+  PyObject *py_reset_dt = PyObject_GetAttrString(py_move_obj,"reset_dt");
   if (!py_reset_dt) {
     PyErr_Print();
     PyErr_Clear();

src/PYTHON/fix_python_move.h

@@ -48,7 +48,7 @@ class FixPythonMove : public Fix {
   virtual void reset_dt();
 
  protected:
-  void * py_integrator;
+  void * py_move;
 };
 
 }