BTK::BuildableAtomDecorator< AtomBase > Class Template Reference

Adds buildable and bonded concepts to an atomtype. More...

#include <buildable_atom_decorator.h>

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[legend]List of all members.

Public Types
typedef adjacent_container_t::iterator	adjacent_iterator
typedef adjacent_container_t::const_iterator	const_adjacent_iterator
Public Member Functions
	BuildableAtomDecorator ()
	BuildableAtomDecorator (const self_type &source)
	BuildableAtomDecorator (const base_type &a)
	This copy ctor is intended to make this type copy constructable with any other atom type.
	~BuildableAtomDecorator ()
self_type &	operator= (const self_type &rhs)
self_type &	operator= (const base_type &rhs)
	Intended to make this type assignable from any other atom type.
bool	is_built () const
void	set_is_built (bool i)
adjacent_iterator	adjacent_begin ()
adjacent_iterator	adjacent_end ()
template<typename AtomType> void	add_adjacent (AtomType &next_atom)
	Declare another atom to be bonded to this one.
bool	build ()
	Try to build this atom, if it is contained in a buildable group.
bool	boot_build ()
	Try to bootstrap build this atom, if it is contained in a buildable group.
void	set_buildable_group (buildable_group_t &g)
	Set the buildable group which has primary ownership of this atom.
Topological bond distance functions
This information is important for non-bonded energy calculations, so the bond distance is automatically cached to increase efficiency
bool	is_bond_distance_cached () const
	Reports whether the topological bond distance has been cached.
void	set_is_bond_distance_cached (bool i)
	Sets the status of topological bond distance caching.
unsigned	bond_distance_4 (self_type &a2)
	Report the topological bond distance of another atom up to 4 bonds away.
void	set_bond_distance_4 (self_type &a2, unsigned dist)
	Set the topological distance of another atom up to four bonds away.

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Detailed Description

template<typename AtomBase>
class BTK::BuildableAtomDecorator< AtomBase >

Adds buildable and bonded concepts to an atomtype.

This class decorates the AtomBase type (the template argument and the base class) with buildable and bonded capabilities reflecting bonding to other atoms and allowing the atom to be built, given that the group which contains the atom has the appropriate data to do so.

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Member Typedef Documentation

template<typename AtomBase> typedef adjacent_container_t::iterator BTK::BuildableAtomDecorator< AtomBase >::adjacent_iterator

template<typename AtomBase> typedef adjacent_container_t::const_iterator BTK::BuildableAtomDecorator< AtomBase >::const_adjacent_iterator

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Constructor & Destructor Documentation

template<typename AtomBase> BTK::BuildableAtomDecorator< AtomBase >::BuildableAtomDecorator (   )  [inline]

template<typename AtomBase> BTK::BuildableAtomDecorator< AtomBase >::BuildableAtomDecorator (  const self_type &  source  )  [inline]

normal copy ctor must destroy all bond information, it is the containers responsibility to restore this

template<typename AtomBase> BTK::BuildableAtomDecorator< AtomBase >::BuildableAtomDecorator (  const base_type &  a  )  [inline]

This copy ctor is intended to make this type copy constructable with any other atom type.

template<typename AtomBase> BTK::BuildableAtomDecorator< AtomBase >::~BuildableAtomDecorator (   )  [inline]

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Member Function Documentation

template<typename AtomBase> template<typename AtomType> void BTK::BuildableAtomDecorator< AtomBase >::add_adjacent (  AtomType &  next_atom  )  [inline]

Declare another atom to be bonded to this one.

template<typename AtomBase> adjacent_iterator BTK::BuildableAtomDecorator< AtomBase >::adjacent_begin (   )  [inline]

template<typename AtomBase> adjacent_iterator BTK::BuildableAtomDecorator< AtomBase >::adjacent_end (   )  [inline]

template<typename AtomBase> unsigned BTK::BuildableAtomDecorator< AtomBase >::bond_distance_4 (  self_type &  a2  )  [inline]

Report the topological bond distance of another atom up to 4 bonds away. Returns: the topological bond distance of atom a2, a result of 5 indicates a distance of 5 or more bonds

template<typename AtomBase> bool BTK::BuildableAtomDecorator< AtomBase >::boot_build (   )  [inline]

Try to bootstrap build this atom, if it is contained in a buildable group.

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template<typename AtomBase> bool BTK::BuildableAtomDecorator< AtomBase >::build (   )  [inline]

Try to build this atom, if it is contained in a buildable group.

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template<typename AtomBase> bool BTK::BuildableAtomDecorator< AtomBase >::is_bond_distance_cached (   )  const [inline]

Reports whether the topological bond distance has been cached.

template<typename AtomBase> bool BTK::BuildableAtomDecorator< AtomBase >::is_built (   )  const [inline]

template<typename AtomBase> self_type& BTK::BuildableAtomDecorator< AtomBase >::operator= (  const base_type &  rhs  )  [inline]

Intended to make this type assignable from any other atom type.

template<typename AtomBase> self_type& BTK::BuildableAtomDecorator< AtomBase >::operator= (  const self_type &  rhs  )  [inline]

normal assign op must destroy all bond info, it is the containers responsibility to restore this

template<typename AtomBase> void BTK::BuildableAtomDecorator< AtomBase >::set_bond_distance_4 (  self_type &  a2, unsigned  dist )  [inline]

Set the topological distance of another atom up to four bonds away.

template<typename AtomBase> void BTK::BuildableAtomDecorator< AtomBase >::set_buildable_group (  buildable_group_t &  g  )  [inline]

Set the buildable group which has primary ownership of this atom.

template<typename AtomBase> void BTK::BuildableAtomDecorator< AtomBase >::set_is_bond_distance_cached (  bool  i  )  [inline]

Sets the status of topological bond distance caching.

template<typename AtomBase> void BTK::BuildableAtomDecorator< AtomBase >::set_is_built (  bool  i  )  [inline]

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The documentation for this class was generated from the following file:

• buildable_atom_decorator.h

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