From 950bfb84a90134fd8df0a4b33a2c1b6928983a8e Mon Sep 17 00:00:00 2001
From: Richard Berger <richard.berger@temple.edu>
Date: Fri, 15 Dec 2017 13:20:13 -0500
Subject: [PATCH] Clean up after renaming back to fix python/move
---
examples/python/README.fix_python_move | 4 +-
...n_nve_melt => in.fix_python_move_nve_melt} | 0
...lt_opt => in.fix_python_move_nve_melt_opt} | 0
src/.gitignore | 4 +-
src/PYTHON/fix_python_move.cpp | 38 +++++++++----------
src/PYTHON/fix_python_move.h | 2 +-
6 files changed, 24 insertions(+), 24 deletions(-)
rename examples/python/{in.fix_python_nve_melt => in.fix_python_move_nve_melt} (100%)
rename examples/python/{in.fix_python_nve_melt_opt => in.fix_python_move_nve_melt_opt} (100%)
diff --git a/examples/python/README.fix_python_move b/examples/python/README.fix_python_move
index 308d154119..95730d327c 100644
--- a/examples/python/README.fix_python_move
+++ b/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.
diff --git a/examples/python/in.fix_python_nve_melt b/examples/python/in.fix_python_move_nve_melt
similarity index 100%
rename from examples/python/in.fix_python_nve_melt
rename to examples/python/in.fix_python_move_nve_melt
diff --git a/examples/python/in.fix_python_nve_melt_opt b/examples/python/in.fix_python_move_nve_melt_opt
similarity index 100%
rename from examples/python/in.fix_python_nve_melt_opt
rename to examples/python/in.fix_python_move_nve_melt_opt
diff --git a/src/.gitignore b/src/.gitignore
index dd7082243a..23ce8390ed 100644
--- a/src/.gitignore
+++ b/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
diff --git a/src/PYTHON/fix_python_move.cpp b/src/PYTHON/fix_python_move.cpp
index 2c216d8aad..22d3bd065f 100644
--- a/src/PYTHON/fix_python_move.cpp
+++ b/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();
diff --git a/src/PYTHON/fix_python_move.h b/src/PYTHON/fix_python_move.h
index 0d06305fb9..7f92ecc957 100644
--- a/src/PYTHON/fix_python_move.h
+++ b/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;
};
}
--
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