| [7e3f11a] | 1 | /* | 
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|  | 2 | * Project: MoleCuilder | 
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|  | 3 | * Description: creates and alters molecular systems | 
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|  | 4 | * Copyright (C)  2013 Frederik Heber. All rights reserved. | 
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|  | 5 | * | 
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|  | 6 | * | 
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|  | 7 | *   This file is part of MoleCuilder. | 
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|  | 8 | * | 
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|  | 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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|  | 10 | *    it under the terms of the GNU General Public License as published by | 
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|  | 11 | *    the Free Software Foundation, either version 2 of the License, or | 
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|  | 12 | *    (at your option) any later version. | 
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|  | 13 | * | 
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|  | 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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|  | 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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|  | 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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|  | 17 | *    GNU General Public License for more details. | 
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|  | 18 | * | 
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|  | 19 | *    You should have received a copy of the GNU General Public License | 
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|  | 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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|  | 21 | */ | 
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|  | 22 |  | 
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|  | 23 | /* | 
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|  | 24 | * PythonScripting.cpp | 
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|  | 25 | * | 
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|  | 26 | *  Created on: Aug 26, 2013 | 
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|  | 27 | *      Author: heber | 
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|  | 28 | */ | 
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|  | 29 |  | 
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|  | 30 | // include config.h | 
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|  | 31 | #ifdef HAVE_CONFIG_H | 
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|  | 32 | #include <config.h> | 
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|  | 33 | #endif | 
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|  | 34 |  | 
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|  | 35 | // boost::python uses placement new which is incompatible with MemDebug. | 
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|  | 36 | #include "PythonScripting_impl.hpp" | 
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|  | 37 | #include "PythonScripting.hpp" | 
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|  | 38 |  | 
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|  | 39 | #include "CodePatterns/MemDebug.hpp" | 
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|  | 40 |  | 
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| [2cf12a] | 41 | bool executePythonScriptFile(const boost::filesystem::path &pythonfilename) | 
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| [7e3f11a] | 42 | { | 
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|  | 43 | if (exists(pythonfilename)) { | 
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|  | 44 | // parse in and execute the local and global config.py | 
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|  | 45 | try { | 
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|  | 46 | PyImport_AppendInittab( "pyMoleCuilder", &initpyMoleCuilder ); | 
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|  | 47 |  | 
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|  | 48 | Py_Initialize(); | 
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|  | 49 |  | 
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|  | 50 | boost::python::object main_module(( | 
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|  | 51 | boost::python::handle<>(boost::python::borrowed(PyImport_AddModule("__main__"))))); | 
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|  | 52 |  | 
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|  | 53 | boost::python::object main_namespace = main_module.attr("__dict__"); | 
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|  | 54 |  | 
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|  | 55 | boost::python::object molecuilder_module( (boost::python::handle<>(PyImport_ImportModule("pyMoleCuilder"))) ); | 
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|  | 56 | main_namespace["pyMoleCuilder"] = molecuilder_module; | 
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|  | 57 |  | 
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|  | 58 | // parse file into a string | 
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|  | 59 | std::ifstream pythonfile(pythonfilename.string().c_str()); | 
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|  | 60 | std::string pythonscript( std::istreambuf_iterator<char>(pythonfile), | 
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|  | 61 | (std::istreambuf_iterator<char>()) ); | 
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| [2cf12a] | 62 | std::string enveloped_script("print \"BEGIN of "+pythonfilename.string()+":\"\n"); | 
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| [7e3f11a] | 63 | enveloped_script += pythonscript; | 
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| [2cf12a] | 64 | enveloped_script += std::string("print \"END of "+pythonfilename.string()+":\"\n"); | 
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| [7e3f11a] | 65 |  | 
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|  | 66 | boost::python::handle<> ignored(( PyRun_String( enveloped_script.c_str(), | 
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|  | 67 | Py_file_input, | 
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|  | 68 | main_namespace.ptr(), | 
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|  | 69 | main_namespace.ptr() ) )); | 
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|  | 70 |  | 
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|  | 71 | } catch( boost::python::error_already_set ) { | 
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|  | 72 | PyErr_Print(); | 
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| [57388c9] | 73 | return false; | 
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| [7e3f11a] | 74 | } | 
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| [57388c9] | 75 | return true; | 
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| [7e3f11a] | 76 | } | 
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| [57388c9] | 77 | return false; | 
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| [7e3f11a] | 78 | } | 
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| [2cf12a] | 79 |  | 
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|  | 80 | bool executePythonScript(const std::string &python_string, const std::string &python_scripttitle) | 
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|  | 81 | { | 
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|  | 82 | try { | 
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|  | 83 | PyImport_AppendInittab( "pyMoleCuilder", &initpyMoleCuilder ); | 
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|  | 84 |  | 
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|  | 85 | Py_Initialize(); | 
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|  | 86 |  | 
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|  | 87 | boost::python::object main_module(( | 
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|  | 88 | boost::python::handle<>(boost::python::borrowed(PyImport_AddModule("__main__"))))); | 
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|  | 89 |  | 
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|  | 90 | boost::python::object main_namespace = main_module.attr("__dict__"); | 
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|  | 91 |  | 
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|  | 92 | boost::python::object molecuilder_module( (boost::python::handle<>(PyImport_ImportModule("pyMoleCuilder"))) ); | 
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|  | 93 | main_namespace["pyMoleCuilder"] = molecuilder_module; | 
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|  | 94 |  | 
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|  | 95 | std::string enveloped_script("print \"BEGIN of "+python_scripttitle+":\"\n"); | 
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|  | 96 | enveloped_script += python_string+std::string("\n"); | 
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|  | 97 | enveloped_script += std::string("print \"END of "+python_scripttitle+":\"\n"); | 
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|  | 98 |  | 
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|  | 99 | boost::python::handle<> ignored(( PyRun_String( enveloped_script.c_str(), | 
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|  | 100 | Py_file_input, | 
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|  | 101 | main_namespace.ptr(), | 
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|  | 102 | main_namespace.ptr() ) )); | 
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|  | 103 |  | 
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|  | 104 | } catch( boost::python::error_already_set ) { | 
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|  | 105 | PyErr_Print(); | 
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|  | 106 | return false; | 
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|  | 107 | } | 
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|  | 108 | return true; | 
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|  | 109 | } | 
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