| [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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| [9eb71b3] | 39 | //#include "CodePatterns/MemDebug.hpp"
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| [7e3f11a] | 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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| [a963cf] | 44 |     // parse file into a string
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 | 45 |     std::ifstream pythonfile(pythonfilename.string().c_str());
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 | 46 |     std::string pythonscript( std::istreambuf_iterator<char>(pythonfile),
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 | 47 |         (std::istreambuf_iterator<char>()) );
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 | 48 |     return executePythonScript(pythonscript, pythonfilename.string());
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| [7e3f11a] | 49 |   }
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| [57388c9] | 50 |   return false;
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| [7e3f11a] | 51 | }
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| [2cf12a] | 52 | 
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 | 53 | bool executePythonScript(const std::string &python_string, const std::string &python_scripttitle)
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 | 54 | {
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 | 55 |   try {
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 | 56 |     PyImport_AppendInittab( "pyMoleCuilder", &initpyMoleCuilder );
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 | 57 | 
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 | 58 |     Py_Initialize();
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 | 59 | 
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 | 60 |     boost::python::object main_module((
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 | 61 |         boost::python::handle<>(boost::python::borrowed(PyImport_AddModule("__main__")))));
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 | 62 | 
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 | 63 |     boost::python::object main_namespace = main_module.attr("__dict__");
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 | 64 | 
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 | 65 |     boost::python::object molecuilder_module( (boost::python::handle<>(PyImport_ImportModule("pyMoleCuilder"))) );
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 | 66 |     main_namespace["pyMoleCuilder"] = molecuilder_module;
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 | 67 | 
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 | 68 |     std::string enveloped_script("print \"BEGIN of "+python_scripttitle+":\"\n");
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 | 69 |     enveloped_script += python_string+std::string("\n");
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 | 70 |     enveloped_script += std::string("print \"END of "+python_scripttitle+":\"\n");
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 | 71 | 
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 | 72 |     boost::python::handle<> ignored(( PyRun_String( enveloped_script.c_str(),
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 | 73 |         Py_file_input,
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 | 74 |         main_namespace.ptr(),
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 | 75 |         main_namespace.ptr() ) ));
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 | 76 | 
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 | 77 |   } catch( boost::python::error_already_set ) {
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 | 78 |     PyErr_Print();
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 | 79 |     return false;
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 | 80 |   }
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 | 81 |   return true;
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 | 82 | }
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