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Allow fix python/move to load class from __main__

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This commit is contained in:
Richard Berger
2021-08-05 18:10:19 -04:00
parent 980b817f3f
commit 53b94ac94d
1 changed files with 6 additions and 6 deletions
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12
src/PYTHON/fix_python_move.cpp
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@ -51,15 +51,15 @@ FixPythonMove::FixPythonMove(LAMMPS *lmp, int narg, char **arg) :
// create integrator instance // create integrator instance
std::string full_cls_name = arg[3]; std::string full_cls_name = arg[3];
std::string module_name = "__main__";
std::string cls_name = full_cls_name;
size_t lastpos = full_cls_name.rfind("."); size_t lastpos = full_cls_name.rfind(".");
if (lastpos == std::string::npos) { if (lastpos != std::string::npos) {
error->all(FLERR,"Fix python/integrate requires fully qualified class name"); module_name = full_cls_name.substr(0, lastpos);
cls_name = full_cls_name.substr(lastpos+1);
} }
std::string module_name = full_cls_name.substr(0, lastpos);
std::string cls_name = full_cls_name.substr(lastpos+1);
PyObject *pModule = PyImport_ImportModule(module_name.c_str()); PyObject *pModule = PyImport_ImportModule(module_name.c_str());
if (!pModule) { if (!pModule) {
PyUtils::Print_Errors(); PyUtils::Print_Errors();
@ -72,7 +72,7 @@ FixPythonMove::FixPythonMove(LAMMPS *lmp, int narg, char **arg) :
PyObject *py_move_type = PyObject_GetAttrString(pModule, cls_name.c_str()); PyObject *py_move_type = PyObject_GetAttrString(pModule, cls_name.c_str());
if (!py_move_type) { if (!py_move_type) {
PyUtils::Print_Errors(); PyUtils::Print_Errors();
error->all(FLERR,"Could not find integrator class in module'"); error->all(FLERR,"Could not find integrator class {} in module {}", cls_name, module_name);
} }
PyObject *ptr = PY_VOID_POINTER(lmp); PyObject *ptr = PY_VOID_POINTER(lmp);