chain_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_CHAIN_VIEW_HH
#define OST_CHAIN_VIEW_HH

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

#include <ost/mol/query.hh>
#include <ost/mol/chain_base.hh>
#include <ost/mol/impl/chain_impl_fw.hh>
#include <ost/mol/impl/entity_impl_fw.hh>
#include <ost/mol/view_type_fw.hh>
#include <ost/mol/entity_visitor_fw.hh>
#include <ost/mol/handle_type_fw.hh>
#include <ost/mol/residue_prop.hh>

namespace ost { namespace mol {

class DLLEXPORT_OST_MOL ChainView : public ChainBase {
public:
  ChainView();

  ChainView(ChainViewDataPtr data, 
            impl::ChainImplPtr impl);
  
  ChainView(const EntityView& entity,
            const ChainHandle& chain);
public:
  

  operator bool() const { return this->IsValid(); }
  bool IsValid() const;
  
  EntityView GetEntity() const;
  
  void Apply(EntityVisitor& visitor);
  void Apply(EntityViewVisitor& visitor);
  
  int GetResidueCount() const;
  
  int GetAtomCount() const;
  
  int GetBondCount() const;

public:
  ResidueView AddResidue(const ResidueHandle& residue_handle, 
                         ViewAddFlags flags=0);      
                         
  ResidueView AddResidue(const ResidueView& residue_view, 
                         ViewAddFlags flags=0);                                 
  AtomView AddAtom(const AtomHandle& atom_handle, 
                   ViewAddFlags flags=0);  

  ResidueView FindResidue(const ResNum& number) const;
    
  AtomView FindAtom(const AtomHandle& atom) const;
  
  AtomView ViewForHandle(const AtomHandle& atom) const;
  AtomView FindAtom(const ResNum& num, const String& name) const;
  ResidueView ViewForHandle(const ResidueHandle& handle) const;
  
  ResidueView FindResidue(const ResidueHandle& handle) const;
  bool IsResidueIncluded(const ResidueHandle& handle) const;
  
  ChainHandle GetHandle() const;

  const ResidueViewList& GetResidueList() const;
  
  void RemoveResidue(ResidueView view);

  int GetResidueIndex(const ResNum& number) const;
  
  ResidueView GetResidueByIndex(int index) const;

  
  Real GetMass() const;
  
  geom::Vec3 GetCenterOfMass() const;
  
  geom::Vec3 GetCenterOfAtoms() const;
  
  geom::AlignedCuboid GetBounds() const;
  
  void RemoveResidues();

  ChainViewDataPtr& ViewData() {
    return data_;
  }
  
  const ChainViewDataPtr& ViewData() const {
    return data_;
  }
  bool InSequence() 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 ChainView& rhs) const;
  bool operator!=(const ChainView& rhs) const;
  bool HasAtoms() const;
private:
  ChainViewDataPtr  data_;
};

}} // ns
#endif // OST_CHAIN_VIEW_HH