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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41 | bool executePythonScript(const std::string &pythonfilename_string)
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42 | {
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43 | boost::filesystem::path pythonfilename(pythonfilename_string);
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44 | if (exists(pythonfilename)) {
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45 | // parse in and execute the local and global config.py
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46 | try {
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47 | PyImport_AppendInittab( "pyMoleCuilder", &initpyMoleCuilder );
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48 |
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49 | Py_Initialize();
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50 |
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51 | boost::python::object main_module((
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52 | boost::python::handle<>(boost::python::borrowed(PyImport_AddModule("__main__")))));
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53 |
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54 | boost::python::object main_namespace = main_module.attr("__dict__");
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55 |
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56 | boost::python::object molecuilder_module( (boost::python::handle<>(PyImport_ImportModule("pyMoleCuilder"))) );
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57 | main_namespace["pyMoleCuilder"] = molecuilder_module;
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58 |
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59 | // parse file into a string
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60 | std::ifstream pythonfile(pythonfilename.string().c_str());
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61 | std::string pythonscript( std::istreambuf_iterator<char>(pythonfile),
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62 | (std::istreambuf_iterator<char>()) );
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63 | std::string enveloped_script("print \"BEGIN of "+pythonfilename_string+":\"\n");
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64 | enveloped_script += pythonscript;
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65 | enveloped_script += std::string("print \"END of "+pythonfilename_string+":\"\n");
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66 |
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67 | boost::python::handle<> ignored(( PyRun_String( enveloped_script.c_str(),
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68 | Py_file_input,
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69 | main_namespace.ptr(),
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70 | main_namespace.ptr() ) ));
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71 |
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72 | } catch( boost::python::error_already_set ) {
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73 | PyErr_Print();
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74 | return false;
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75 | }
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76 | return true;
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77 | }
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78 | return false;
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79 | }
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