Rosetta 3.4
Public Types | Public Member Functions | Public Attributes | Protected Member Functions
core::scoring::MinimizationGraph Class Reference

Class to hold all the minimization-specific data that's required to efficiently evaluate the score function and its derivatives on a structure of fixed sequence and chemical identity. More...

#include <MinimizationGraph.hh>

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List of all members.

Public Types

typedef graph::Graph parent
typedef std::list
< EnergyMethodCOP
Energies
typedef Energies::const_iterator EnergiesIterator

Public Member Functions

virtual ~MinimizationGraph ()
 MinimizationGraph (Size num_nodes)
 MinimizationGraph ()
 MinimizationGraph (MinimizationGraph const &src)
MinimizationGraph const & operator= (MinimizationGraph const &rhs)
 assignment operator -- performs a deep copy
MinimizationNode const * get_minimization_node (Size index) const
MinimizationNodeget_minimization_node (Size index)
MinimizationEdgefind_minimization_edge (Size n1, Size n2)
MinimizationEdge const * find_minimization_edge (Size n1, Size n2) const
virtual void delete_edge (graph::Edge *edge)
 remove an edge from the graph. (NEW AS OF 12/9/07) Never call C++'s "delete" function on an edge pointer directly. Derived classes must implement this function. If they wish to use unordered_object_pools to manage their memory
void add_whole_pose_context_enmeth (EnergyMethodCOP enmeth)
EnergiesIterator whole_pose_context_enmeths_begin () const
EnergiesIterator whole_pose_context_enmeths_end () const
void set_fixed_energies (EnergyMap const &)
EnergyMap const & fixed_energies () const

Public Attributes

 __pad0__:EnergyMethodCOP EnergyMethodCOP

Protected Member Functions

virtual Size count_static_memory () const
virtual Size count_dynamic_memory () const
virtual graph::Nodecreate_new_node (Size index)
 Factory method for node creation.
virtual graph::Edgecreate_new_edge (Size index1, Size index2)
 Factory method for edge creation.
virtual graph::Edgecreate_new_edge (graph::Edge const *example_edge)
 Factory copy-constructor method for edge creation.

Detailed Description

Class to hold all the minimization-specific data that's required to efficiently evaluate the score function and its derivatives on a structure of fixed sequence and chemical identity.


Member Typedef Documentation

typedef Energies::const_iterator core::scoring::MinimizationGraph::EnergiesIterator

Reimplemented from core::graph::Graph.


Constructor & Destructor Documentation

core::scoring::MinimizationGraph::~MinimizationGraph ( ) [virtual]
core::scoring::MinimizationGraph::MinimizationGraph ( Size  num_nodes)

This does not call the base class parent( Size ) constructor since that produces calls to the polymorphic function create_new_node() and polymorphism does not work during constructor intialization.

References core::graph::Graph::set_num_nodes().

core::scoring::MinimizationGraph::MinimizationGraph ( )

Referenced by count_static_memory().

core::scoring::MinimizationGraph::MinimizationGraph ( MinimizationGraph const &  src)

Notice that this does not call the parent( src ) copy constructor. This is because the copy constructor relies on polymorphic functions which are unavailable during the Graph constructor. Instead, this function waits until parent construction is complete, and relies on the assigmnent operator.

References core::graph::Graph::operator=().


Member Function Documentation

void core::scoring::MinimizationGraph::add_whole_pose_context_enmeth ( EnergyMethodCOP  enmeth)
Size core::scoring::MinimizationGraph::count_dynamic_memory ( ) const [protected, virtual]
Size core::scoring::MinimizationGraph::count_static_memory ( ) const [protected, virtual]

Reimplemented from core::graph::Graph.

References MinimizationGraph().

Edge * core::scoring::MinimizationGraph::create_new_edge ( graph::Edge const *  example_edge) [protected, virtual]

Factory copy-constructor method for edge creation.

Reimplemented from core::graph::Graph.

References boost::unordered_object_pool< T, UserAllocator >::construct().

Edge * core::scoring::MinimizationGraph::create_new_edge ( Size  index1,
Size  index2 
) [protected, virtual]

Factory method for edge creation.

Reimplemented from core::graph::Graph.

References boost::unordered_object_pool< T, UserAllocator >::construct().

Node * core::scoring::MinimizationGraph::create_new_node ( Size  index) [protected, virtual]

Factory method for node creation.

Reimplemented from core::graph::Graph.

void core::scoring::MinimizationGraph::delete_edge ( graph::Edge edge) [virtual]

remove an edge from the graph. (NEW AS OF 12/9/07) Never call C++'s "delete" function on an edge pointer directly. Derived classes must implement this function. If they wish to use unordered_object_pools to manage their memory

Reimplemented from core::graph::Graph.

References boost::unordered_object_pool< T, UserAllocator >::destroy().

MinimizationEdge * core::scoring::MinimizationGraph::find_minimization_edge ( Size  n1,
Size  n2 
)
MinimizationEdge const * core::scoring::MinimizationGraph::find_minimization_edge ( Size  n1,
Size  n2 
) const
EnergyMap const & core::scoring::MinimizationGraph::fixed_energies ( ) const
MinimizationNode const* core::scoring::MinimizationGraph::get_minimization_node ( Size  index) const [inline]
MinimizationNode* core::scoring::MinimizationGraph::get_minimization_node ( Size  index) [inline]
MinimizationGraph const & core::scoring::MinimizationGraph::operator= ( MinimizationGraph const &  rhs)

assignment operator -- performs a deep copy

References core::graph::Graph::operator=().

void core::scoring::MinimizationGraph::set_fixed_energies ( EnergyMap const &  vals)
MinimizationGraph::EnergiesIterator core::scoring::MinimizationGraph::whole_pose_context_enmeths_begin ( ) const
MinimizationGraph::EnergiesIterator core::scoring::MinimizationGraph::whole_pose_context_enmeths_end ( ) const

Member Data Documentation


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