bond_handle.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_BOND_HANDLE_HE
#define OST_BOND_HANDLE_HE
 
#include <ost/mol/impl/connector_impl_fw.hh>
#include <ost/mol/atom_handle.hh>
#include <ost/generic_property.hh>
 
#include <ost/mol/entity_visitor_fw.hh>
 
namespace ost { namespace mol {
 
class DLLEXPORT_OST_MOL BondHandle: 
    public GenericPropContainer<BondHandle> {
public:
  friend class ConstGenericPropContainer<BondHandle>;  
  BondHandle();
  BondHandle(const impl::ConnectorImplP& im);
 
 
  operator bool() const;
 
  bool IsValid() const;
  
  void Apply(EntityVisitor& v);
  void Apply(EntityViewVisitor& v);
 
 
  AtomHandle GetFirst() const;
 
  AtomHandle GetSecond() const;
 
  AtomHandle GetOther(const AtomHandle& a) const;
 
  geom::Vec3 GetPos() const;
 
  geom::Vec3 GetOriginalPos() const;
 
  Real GetLength() const;
  
  unsigned char GetBondOrder() const;
  
  void SetBondOrder(unsigned char bo);
 
  unsigned long GetHashCode() const;
  
  bool operator==(const BondHandle& rhs) const;
  bool operator!=(const BondHandle& rhs) const;
  
  const impl::ConnectorImplP& Impl() const {
    return impl_;
  }
  
  impl::ConnectorImplP& Impl() {
    return impl_;
  }
  
protected:
  
  GenericPropContainerImpl* GpImpl();
  
  const GenericPropContainerImpl* GpImpl() const;  
  void CheckValidity() const;
private:
  impl::ConnectorImplP impl_;
};
 
bool DLLEXPORT_OST_MOL BondExists(const AtomHandle& a, const AtomHandle& b);
 
typedef std::vector<BondHandle>  BondHandeList;
 
DLLEXPORT_OST_MOL std::ostream& operator<<(std::ostream& os,
                                            const BondHandle& bond);
 
 
}} // ns
 
#endif