OpenStructure: stage/include/ost/io/entity_io_mae

00001 //------------------------------------------------------------------------------
00002 // This file is part of the OpenStructure project <www.openstructure.org>
00003 //
00004 // Copyright (C) 2008-2010 by the OpenStructure authors
00005 //
00006 // This library is free software; you can redistribute it and/or modify it under
00007 // the terms of the GNU Lesser General Public License as published by the Free
00008 // Software Foundation; either version 3.0 of the License, or (at your option)
00009 // any later version.
00010 // This library is distributed in the hope that it will be useful, but WITHOUT
00011 // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
00012 // FOR A PARTICULAR PURPOSE.  See the GNU Lesser General Public License for more
00013 // details.
00014 //
00015 // You should have received a copy of the GNU Lesser General Public License
00016 // along with this library; if not, write to the Free Software Foundation, Inc.,
00017 // 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA
00018 //------------------------------------------------------------------------------
00019 #ifndef OST_IO_ENTITY_IO_PLUGIN_MAE_H
00020 #define OST_IO_ENTITY_IO_PLUGIN_MAE_H
00021 
00022 #include <ost/io/mol/entity_io_handler.hh>
00023 
00024 #include <boost/iostreams/filtering_stream.hpp>
00025 #include <boost/filesystem/fstream.hpp>
00026 
00027 namespace ost { namespace io {
00028 
00029 class DLLEXPORT_OST_IO MAEReader {
00030 public:
00031   MAEReader(const boost::filesystem::path& loc);
00032   
00033   void Import(mol::EntityHandle& ent);
00034 
00035 private:
00036 
00037   void add_atom(mol::EntityHandle ent,
00038                 mol::XCSEditor& editor,const std::string& s_aname, 
00039                 const std::string& s_axpos, 
00040                 const std::string& s_aypos, 
00041                 const std::string& s_azpos, 
00042                 const std::string& s_rname,
00043                 const std::string& s_rnum,
00044                 const std::string& s_cname);
00045 
00046   mol::ChainHandle curr_chain_;
00047   mol::ResidueHandle curr_residue_;
00048   int chain_count_;
00049   int residue_count_;
00050   int atom_count_;
00051   boost::filesystem::ifstream infile_;
00052   boost::iostreams::filtering_stream<boost::iostreams::input>  in_;
00053 };
00054 
00055 class DLLEXPORT_OST_IO EntityIOMAEHandler: public EntityIOHandler {
00056 public:
00057   virtual void Import(mol::EntityHandle& ent, const boost::filesystem::path& loc);
00058   
00059   virtual void Export(const mol::EntityView& ent, 
00060                       const boost::filesystem::path& loc) const;
00061                       
00062   virtual void Import(mol::EntityHandle& ent, std::istream& stream);
00063 
00064   virtual void Export(const mol::EntityView& ent, std::ostream& stream) const;
00065   
00066   static bool ProvidesImport(const boost::filesystem::path& loc, 
00067                              const String& format="auto");
00068   static bool ProvidesExport(const boost::filesystem::path& loc, 
00069                              const String& format="auto");
00070   virtual bool RequiresBuilder() const;
00071 
00072   static String GetFormatName() { return String("Mae"); }
00073   static String GetFormatDescription() { return String("MAEstro coordinate file format"); }
00074 };
00075 
00076 
00077 typedef EntityIOHandlerFactory<EntityIOMAEHandler> EntityIOMAEHandlerFactory;
00078 
00079 mol::EntityHandle DLLEXPORT_OST_IO LoadMAE(const String& file_name);
00080 
00081 }} // ns
00082 
00083 #endif
00084 //------------------------------------------------------------------------------
00085 // This file is part of the OpenStructure project <www.openstructure.org>
00086 //
00087 // Copyright (C) 2008-2010 by the OpenStructure authors
00088 //
00089 // This library is free software; you can redistribute it and/or modify it under
00090 // the terms of the GNU Lesser General Public License as published by the Free
00091 // Software Foundation; either version 3.0 of the License, or (at your option)
00092 // any later version.
00093 // This library is distributed in the hope that it will be useful, but WITHOUT
00094 // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
00095 // FOR A PARTICULAR PURPOSE.  See the GNU Lesser General Public License for more
00096 // details.
00097 //
00098 // You should have received a copy of the GNU Lesser General Public License
00099 // along with this library; if not, write to the Free Software Foundation, Inc.,
00100 // 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA
00101 //------------------------------------------------------------------------------
00102 #ifndef OST_IO_ENTITY_IO_PLUGIN_MAE_H
00103 #define OST_IO_ENTITY_IO_PLUGIN_MAE_H
00104 
00105 #include <ost/io/mol/entity_io_handler.hh>
00106 
00107 #include <boost/iostreams/filtering_stream.hpp>
00108 #include <boost/filesystem/fstream.hpp>
00109 
00110 namespace ost { namespace io {
00111 
00112 class DLLEXPORT_OST_IO MAEReader {
00113 public:
00114   MAEReader(const boost::filesystem::path& loc);
00115   
00116   void Import(mol::EntityHandle& ent);
00117 
00118 private:
00119 
00120   void add_atom(mol::EntityHandle ent,
00121                 mol::XCSEditor& editor,const std::string& s_aname, 
00122                 const std::string& s_axpos, 
00123                 const std::string& s_aypos, 
00124                 const std::string& s_azpos, 
00125                 const std::string& s_rname,
00126                 const std::string& s_rnum,
00127                 const std::string& s_cname);
00128 
00129   mol::ChainHandle curr_chain_;
00130   mol::ResidueHandle curr_residue_;
00131   int chain_count_;
00132   int residue_count_;
00133   int atom_count_;
00134   boost::filesystem::ifstream infile_;
00135   boost::iostreams::filtering_stream<boost::iostreams::input>  in_;
00136 };
00137 
00138 class DLLEXPORT_OST_IO EntityIOMAEHandler: public EntityIOHandler {
00139 public:
00140   virtual void Import(mol::EntityHandle& ent, const boost::filesystem::path& loc);
00141   
00142   virtual void Export(const mol::EntityView& ent, 
00143                       const boost::filesystem::path& loc) const;
00144                       
00145   virtual void Import(mol::EntityHandle& ent, std::istream& stream);
00146 
00147   virtual void Export(const mol::EntityView& ent, std::ostream& stream) const;
00148   
00149   static bool ProvidesImport(const boost::filesystem::path& loc, 
00150                              const String& format="auto");
00151   static bool ProvidesExport(const boost::filesystem::path& loc, 
00152                              const String& format="auto");
00153   virtual bool RequiresBuilder() const;
00154 
00155   static String GetFormatName() { return String("Mae"); }
00156   static String GetFormatDescription() { return String("MAEstro coordinate file format"); }
00157 };
00158 
00159 
00160 typedef EntityIOHandlerFactory<EntityIOMAEHandler> EntityIOMAEHandlerFactory;
00161 
00162 mol::EntityHandle DLLEXPORT_OST_IO LoadMAE(const String& file_name);
00163 
00164 }} // ns
00165 
00166 #endif
stage/include/ost/io/entity_io_mae_handler.hh
