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python_shell.rst

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  • export_clash.cc 1.66 KiB
    //------------------------------------------------------------------------------
    // This file is part of the OpenStructure project <www.openstructure.org>
    //
    // Copyright (C) 2008-2011 by the OpenStructure authors
    //
    // This library is free software; you can redistribute it and/or modify it under
    // the terms of the GNU Lesser General Public License as published by the Free
    // Software Foundation; either version 3.0 of the License, or (at your option)
    // any later version.
    // This library is distributed in the hope that it will be useful, but WITHOUT
    // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
    // FOR A PARTICULAR PURPOSE.  See the GNU Lesser General Public License for more
    // details.
    //
    // You should have received a copy of the GNU Lesser General Public License
    // along with this library; if not, write to the Free Software Foundation, Inc.,
    // 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA
    //------------------------------------------------------------------------------
    #include <boost/python.hpp>
    
    using namespace boost::python;
    
    #include <ost/mol/alg/clash_score.hh>
    
    using namespace ost::mol::alg;  
    using namespace ost;
    namespace {
    
    Real (*clash_score_a)(const mol::EntityView&, 
                            const mol::EntityView&)=&ClashScore;  
    Real (*clash_score_b)(const mol::EntityHandle&, 
                            const mol::EntityView&)=&ClashScore;
    Real (*clash_score_c)(const mol::AtomHandle&, 
                            const mol::EntityView&)=&ClashScore;                        
    }
    
    
    void export_Clash()
    {
      def("ClashScore", clash_score_a);
      def("ClashScore", clash_score_b);  
      def("ClashScore", clash_score_c);    
    }