[7e3f11a] | 1 | /*
|
---|
| 2 | * Project: MoleCuilder
|
---|
| 3 | * Description: creates and alters molecular systems
|
---|
| 4 | * Copyright (C) 2013 Frederik Heber. All rights reserved.
|
---|
| 5 | *
|
---|
| 6 | *
|
---|
| 7 | * This file is part of MoleCuilder.
|
---|
| 8 | *
|
---|
| 9 | * MoleCuilder is free software: you can redistribute it and/or modify
|
---|
| 10 | * it under the terms of the GNU General Public License as published by
|
---|
| 11 | * the Free Software Foundation, either version 2 of the License, or
|
---|
| 12 | * (at your option) any later version.
|
---|
| 13 | *
|
---|
| 14 | * MoleCuilder is distributed in the hope that it will be useful,
|
---|
| 15 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
|
---|
| 16 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
|
---|
| 17 | * GNU General Public License for more details.
|
---|
| 18 | *
|
---|
| 19 | * You should have received a copy of the GNU General Public License
|
---|
| 20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
|
---|
| 21 | */
|
---|
| 22 |
|
---|
| 23 | /*
|
---|
| 24 | * PythonScripting.cpp
|
---|
| 25 | *
|
---|
| 26 | * Created on: Aug 26, 2013
|
---|
| 27 | * Author: heber
|
---|
| 28 | */
|
---|
| 29 |
|
---|
| 30 | // include config.h
|
---|
| 31 | #ifdef HAVE_CONFIG_H
|
---|
| 32 | #include <config.h>
|
---|
| 33 | #endif
|
---|
| 34 |
|
---|
| 35 | // boost::python uses placement new which is incompatible with MemDebug.
|
---|
| 36 | #include "PythonScripting_impl.hpp"
|
---|
| 37 | #include "PythonScripting.hpp"
|
---|
| 38 |
|
---|
| 39 | #include "CodePatterns/MemDebug.hpp"
|
---|
| 40 |
|
---|
[2cf12a] | 41 | bool executePythonScriptFile(const boost::filesystem::path &pythonfilename)
|
---|
[7e3f11a] | 42 | {
|
---|
| 43 | if (exists(pythonfilename)) {
|
---|
[a963cf] | 44 | // parse file into a string
|
---|
| 45 | std::ifstream pythonfile(pythonfilename.string().c_str());
|
---|
| 46 | std::string pythonscript( std::istreambuf_iterator<char>(pythonfile),
|
---|
| 47 | (std::istreambuf_iterator<char>()) );
|
---|
| 48 | return executePythonScript(pythonscript, pythonfilename.string());
|
---|
[7e3f11a] | 49 | }
|
---|
[57388c9] | 50 | return false;
|
---|
[7e3f11a] | 51 | }
|
---|
[2cf12a] | 52 |
|
---|
| 53 | bool executePythonScript(const std::string &python_string, const std::string &python_scripttitle)
|
---|
| 54 | {
|
---|
| 55 | try {
|
---|
| 56 | PyImport_AppendInittab( "pyMoleCuilder", &initpyMoleCuilder );
|
---|
| 57 |
|
---|
| 58 | Py_Initialize();
|
---|
| 59 |
|
---|
| 60 | boost::python::object main_module((
|
---|
| 61 | boost::python::handle<>(boost::python::borrowed(PyImport_AddModule("__main__")))));
|
---|
| 62 |
|
---|
| 63 | boost::python::object main_namespace = main_module.attr("__dict__");
|
---|
| 64 |
|
---|
| 65 | boost::python::object molecuilder_module( (boost::python::handle<>(PyImport_ImportModule("pyMoleCuilder"))) );
|
---|
| 66 | main_namespace["pyMoleCuilder"] = molecuilder_module;
|
---|
| 67 |
|
---|
| 68 | std::string enveloped_script("print \"BEGIN of "+python_scripttitle+":\"\n");
|
---|
| 69 | enveloped_script += python_string+std::string("\n");
|
---|
| 70 | enveloped_script += std::string("print \"END of "+python_scripttitle+":\"\n");
|
---|
| 71 |
|
---|
| 72 | boost::python::handle<> ignored(( PyRun_String( enveloped_script.c_str(),
|
---|
| 73 | Py_file_input,
|
---|
| 74 | main_namespace.ptr(),
|
---|
| 75 | main_namespace.ptr() ) ));
|
---|
| 76 |
|
---|
| 77 | } catch( boost::python::error_already_set ) {
|
---|
| 78 | PyErr_Print();
|
---|
| 79 | return false;
|
---|
| 80 | }
|
---|
| 81 | return true;
|
---|
| 82 | }
|
---|