00001 //------------------------------------------------------------------------------ 00002 // This file is part of the OpenStructure project <www.openstructure.org> 00003 // 00004 // Copyright (C) 2008-2011 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_CONOP_HH 00020 #define OST_CONOP_HH 00021 00022 #include <map> 00023 #include <ost/conop/module_config.hh> 00024 #include <ost/mol/entity_handle.hh> 00025 #include "processor.hh" 00026 #include "compound_lib.hh" 00027 namespace ost { namespace conop { 00028 00029 00030 typedef enum { 00031 NO_PEPTIDE_BONDS=1, 00032 } ConopFlag; 00033 00034 00035 class DLLEXPORT_OST_CONOP Conopology { 00036 public: 00037 // singleton 00038 static Conopology& Instance(); 00039 00040 // returns the default compound library (if any) 00041 CompoundLibPtr GetDefaultLib() const { return lib_; } 00042 void SetDefaultLib(const CompoundLibPtr& lib) 00043 { 00044 lib_ = lib; 00045 } 00046 00047 bool IsValidElement(const String& element) const; 00048 00049 private: 00050 Conopology(); 00051 Conopology(const Conopology&): 00052 known_elements_(), 00053 lib_() 00054 {} 00055 Conopology& operator=(const Conopology&) {return *this;} 00056 00057 std::set<String> known_elements_; 00058 CompoundLibPtr lib_; 00059 }; 00060 00061 }} // 00062 00063 #endif