residue_view.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_RESIDUE_VIEW_HH
#define OST_RESIDUE_VIEW_HH

#include <ost/mol/query.hh>
#include <ost/mol/module_config.hh>
#include <ost/geom/geom.hh>
#include <ost/mol/residue_base.hh>
#include <ost/mol/view_type_fw.hh>
#include <ost/mol/impl/residue_impl_fw.hh>
#include <ost/mol/entity_visitor_fw.hh>
#include <ost/mol/handle_type_fw.hh>

namespace ost { namespace mol {

class DLLEXPORT_OST_MOL ResidueView : public ResidueBase {

  friend class ChainView;

public:
  ResidueView();

  ResidueView(const ChainView&      chain,
              const ResidueHandle&  residue);

public:
  







  operator bool() const { return this->IsValid(); }
  bool IsValid() const { return data_.get()!=0; }
  




  ResidueView(const ResidueViewDataPtr& data,
              const impl::ResidueImplPtr& impl);

  const ResidueViewDataPtr& ViewData() const {
    return data_;
  }
  ResidueViewDataPtr& ViewData() {
    return data_;
  }
public:











  AtomView AddAtom(const AtomView& atom_view,
                   ViewAddFlags flags=0);

  AtomView AddAtom(const AtomHandle& atom_handle,
                   ViewAddFlags flags=0);

  AtomView FindAtom(const String& atom_name) const;

  AtomView FindAtom(const AtomHandle& handle) const;

  bool IsAtomIncluded(const AtomHandle& handle) const;

  void RemoveAtom(AtomView view);

  void RemoveAtoms();

  void Apply(EntityVisitor& visitor);
  void Apply(EntityViewVisitor& visitor);

  int GetAtomCount() const;

  const AtomViewList& GetAtomList() const;

  ResidueHandle GetHandle() const;

  EntityView GetEntity() const;
  
  int GetIndex() const;
  ChainView GetChain() const;
  
  
  double GetMass() const;
  
  geom::Vec3 GetCenterOfMass() const;
  
  geom::Vec3 GetCenterOfAtoms() const;
  
  geom::AlignedCuboid GetBounds() const;
  

  EntityView Select(const Query& q, QueryFlags flags=0) const;

  EntityView Select(const String& query_string, QueryFlags flags=0) const;
  
  bool operator==(const ResidueView& rhs) const;
  
  bool operator!=(const ResidueView& rhs) const;

protected:
  void SetIndex(int index);

private:
  ResidueViewDataPtr  data_;
};

}} // ns

#endif // OST_RESIDUE_VIEW_HH