| 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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