ics_editor.hh

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//------------------------------------------------------------------------------
// 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
//------------------------------------------------------------------------------
#ifndef OST_ICS_EDITOR_HE
#define OST_ICS_EDITOR_HE
/*
  Author: Marco Biasini
 */

#include <ost/mol/module_config.hh>
#include <ost/geom/geom.hh>

#include "handle_type_fw.hh"
#include "editor_base.hh"
namespace ost { namespace mol {

class DLLEXPORT_OST_MOL ICSEditor : public EditorBase {
public:
  friend class EntityHandle;
    ~ICSEditor();
protected:
  ICSEditor(const EntityHandle& ent, EditMode mode);
  
  void Update();
public:  
  ICSEditor(const ICSEditor& rhs);
  
  ICSEditor& operator=(const ICSEditor& rhs);
      
  void SetBondLength(const BondHandle& bond, Real length);
  

  bool SetAngle(const AtomHandle& atom_a, const AtomHandle& atom_b, 
                const AtomHandle& atom_c, Real angle);

  void SetTorsionAngle(TorsionHandle torsion, Real angle);
  void RotateTorsionAngle(TorsionHandle torsion, Real delta);  

  void RotateTorsionAngle(const AtomHandle& atom_a,
                          const AtomHandle& atom_b,
                          const AtomHandle& atom_c,
                          const AtomHandle& atom_d,
                          Real angle);

  void SetTorsionAngle(const AtomHandle& atom_a, const AtomHandle& atom_b,
                       const AtomHandle& atom_c, const AtomHandle& atom_d,
                       Real angle);
                       
  void UpdateXCS();
};

}} // ns

#endif