1 | /*
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2 | * PythonScripting.hpp
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3 | *
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4 | * Created on: Apr 13, 2012
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5 | * Author: heber
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6 | */
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7 |
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8 | #ifndef PYTHONSCRIPTING_HPP_
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9 | #define PYTHONSCRIPTING_HPP_
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10 |
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11 |
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12 | // include config.h
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13 | #ifdef HAVE_CONFIG_H
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14 | #include <config.h>
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15 | #endif
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16 |
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17 |
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18 | #include <boost/python.hpp>
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19 | #include <boost/python/module.hpp>
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20 | #include <boost/python/args.hpp>
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21 |
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22 | #include "CodePatterns/toString.hpp"
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23 |
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24 | //!> define all present actions
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25 | #include "GlobalListOfActions.hpp"
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26 |
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27 | //!> python wrapping for all of these actions
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28 | #include "AllActionPython.hpp"
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29 |
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30 | namespace MoleCuilder {
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31 |
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32 | namespace PythonTypes {
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33 |
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34 | inline void IndexError(){
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35 | PyErr_SetString(PyExc_IndexError, "Index out of range");
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36 | boost::python::throw_error_already_set();
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37 | }
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38 |
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39 | template<class T>
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40 | struct vec_item{
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41 | typedef typename T::value_type V;
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42 | static V& get(T& x, int i){
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43 | static V nothing;
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44 | if(i < 0) i += x.size();
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45 | if(i >= 0 && i < int(x.size())) return x[i];
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46 | IndexError();
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47 | return nothing;
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48 | }
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49 | static void set(T& x, int i, V const& v){
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50 | if(i < 0) i += x.size();
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51 | if(i >= 0 && i < int(x.size())) x[i] = v;
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52 | else IndexError();
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53 | }
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54 | static void del(T& x, int i){
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55 | if(i < 0) i += x.size();
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56 | if(i >= 0 && i < int(x.size())) x.erase(x.begin() + i);
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57 | else IndexError();
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58 | }
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59 | static void add(T& x, V const& v){
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60 | x.push_back(v);
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61 | }
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62 | };
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63 |
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64 |
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65 | } /* namespace PythonTypes */
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66 | } /* namespace MoleCuilder */
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67 |
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68 | BOOST_PYTHON_MODULE(pyMoleCuilder)
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69 | {
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70 | // set the docstring of the current module scope
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71 | boost::python::scope().attr("__doc__") = "pyMolecuilder are the python bindings to all Actions of the program suite MoleCuilder.\n\nMoleCuilder is a program to build molecular (dynamics) worlds, allowing you indefinite manipulation, control and analysis over the atoms and molecules within a simulation domain.";
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72 |
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73 | // STL Vectors:
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74 | // doubleVec
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75 | boost::python::class_< std::vector< double > >("PythonType_doubleVec")
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76 | .def("__len__", &std::vector< double >::size)
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77 | .def("clear", &std::vector< double >::clear)
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78 | .def("append", &MoleCuilder::PythonTypes::vec_item< std::vector< double > >::add,
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79 | boost::python::with_custodian_and_ward<1, 2>()) // let container keep value
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80 | .def("__getitem__", &MoleCuilder::PythonTypes::vec_item< std::vector< double > >::get,
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81 | boost::python::return_value_policy<boost::python::copy_non_const_reference>())
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82 | .def("__setitem__", &MoleCuilder::PythonTypes::vec_item< std::vector< double > >::set,
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83 | boost::python::with_custodian_and_ward<1,2>()) // to let container keep value
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84 | .def("__delitem__", &MoleCuilder::PythonTypes::vec_item< std::vector< double > >::del)
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85 | .def("__iter__", boost::python::iterator< std::vector< double > >())
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86 | ;
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87 |
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88 |
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89 | #define export_print(z,n,list) \
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90 | BOOST_PP_CAT(export_, BOOST_PP_SEQ_ELEM(n, list))();
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91 | #define BOOST_PP_LOCAL_MACRO(n) export_print(~, n, GLOBALLISTOFACTIONS)
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92 | #define BOOST_PP_LOCAL_LIMITS (0, BOOST_PP_DEC(BOOST_PP_SEQ_SIZE(GLOBALLISTOFACTIONS)))
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93 | #include BOOST_PP_LOCAL_ITERATE()
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94 | #undef instance_print
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95 | }
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96 |
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97 |
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98 | #endif /* PYTHONSCRIPTING_HPP_ */
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