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 TORSION_IMPL_HH 00020 #define TORSION_IMPL_HH 00021 00022 #include <boost/enable_shared_from_this.hpp> 00023 00024 #include <ost/mol/module_config.hh> 00025 #include <ost/geom/geom.hh> 00026 00027 #include "torsion_impl_fw.hh" 00028 #include "connector_impl_fw.hh" 00029 #include "atom_impl_fw.hh" 00030 #include <ost/mol/entity_visitor_fw.hh> 00031 #include "dihedral.hh" 00032 namespace ost { namespace mol { namespace impl { 00033 00035 class TorsionImpl: public Dihedral, 00036 public boost::enable_shared_from_this<TorsionImpl> { 00037 public: 00038 TorsionImpl(const String& name, 00039 const AtomImplPtr& atom1, 00040 const AtomImplPtr& atom2, 00041 const AtomImplPtr& atom3, 00042 const AtomImplPtr& atom4); 00043 00044 void Apply(EntityVisitor& h); 00045 00046 const String& GetName() const; 00047 00048 Real GetAngle() const; 00049 00050 void SetAngle(Real a, bool up); 00051 00052 void RotateAngle(Real angle, bool up); 00053 private: 00054 String name_; 00055 ConnectorImplW conn2_; 00056 }; 00057 00058 }}} // ns 00059 00060 #endif