residue_view.hh

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//------------------------------------------------------------------------------
// This file is part of the OpenStructure project <www.openstructure.org>
//
// Copyright (C) 2008-2020 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;
  
 
  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 ViewForHandle(const AtomHandle& handle) 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;
 
  unsigned long GetHashCode() const;
  
  bool operator==(const ResidueView& rhs) const;
  
  bool operator!=(const ResidueView& rhs) const;
 
  bool HasAtoms() const;
protected:
  void SetIndex(int index);
 
private:
  ResidueViewDataPtr  data_;
};
 
}} // ns
 
#endif // OST_RESIDUE_VIEW_HH