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