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Rosetta 3.5
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#include <TwelveANeighborGraph.hh>


Public Types | |
| typedef ContextGraph | parent |
Public Types inherited from core::scoring::ContextGraph | |
| typedef graph::Graph | parent |
Public Types inherited from core::graph::Graph | |
| typedef utility::vector1< Node * > | NodeVector |
| typedef Node::EdgeListIter | EdgeListIter |
| typedef Node::EdgeListConstIter | EdgeListConstIter |
| typedef utility::pointer::ReferenceCount | parent |
Public Member Functions | |
| virtual | ~TwelveANeighborGraph () |
| TwelveANeighborGraph () | |
| TwelveANeighborGraph (Size num_nodes) | |
| TwelveANeighborGraph (TwelveANeighborGraph const &source) | |
| TwelveANeighborGraph & | operator= (TwelveANeighborGraph const &source) |
| virtual Distance | neighbor_cutoff () const |
| virtual void | conditionally_add_edge (Size lower_node_id, Size upper_node_id, DistanceSquared dsq) |
| virtual ContextGraphOP | clone () const |
| virtual void | update_from_pose (pose::Pose const &pose) |
| 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 More... | |
Public Member Functions inherited from core::scoring::ContextGraph | |
| virtual | ~ContextGraph () |
| ContextGraph () | |
| ContextGraph (Size num_nodes) | |
| ContextGraph (ContextGraph const &source) | |
| ContextGraph & | operator= (ContextGraph const &source) |
Public Member Functions inherited from core::graph::Graph | |
| virtual | ~Graph () |
| virtual destructor. Derived classes must ensure they've destroyed all their nodes and edges through a call to "destroy_everything" before this function is arrived at More... | |
| Graph () | |
| ctor More... | |
| Graph (platform::Size num_nodes) | |
| num nodes ctor More... | |
| Graph (Graph const &source) | |
| copy ctor. Must not be called by derived class copy ctors. More... | |
| Graph & | operator= (Graph const &source) |
| assignment operator. source and this must have the same type. More... | |
| void | copy_connectivity (Graph const &source) |
| copy the edge connectivity from a source graph with a potentially unknown type. More... | |
| platform::Size | num_nodes () const |
| the number of nodes in the graph More... | |
| void | set_num_nodes (platform::Size num_nodes) |
| set the number of nodes in the graph – deletes any existing edges in the graph More... | |
| Edge * | add_edge (platform::Size node1, platform::Size node2) |
| add an edge between two vertices. Invokes "create_edge" from the derived class. Returns a pointer to the edge after its been added, allowing the calling function to immediately set data for this edge. More... | |
| Edge * | add_edge (Edge const *example_edge) |
| add an edge to this graph copying the data from an edge in another graph. Returns a pointer to the edge after its been added, allowing the calling function to immediately set data for this edge. More... | |
| bool | get_edge_exists (platform::Size node1, platform::Size node2) const |
| is an edge already present in the graph? O(V) worst case. O(1) iff all vertices have O(1) edges More... | |
| void | drop_all_edges () |
| delete all the edges present in the graph More... | |
| void | drop_all_edges_for_node (platform::Size node) |
| delete all the edges for a single vertex in the graph More... | |
| void | print_vertices () const |
| send summary information to the screen for all vertices in the graph More... | |
| void | output_connectivity (std::ostream &os) const |
| send an edge list to the stream os. More... | |
| void | output_dimacs (std::ostream &os) const |
| describe this graph in dimacs form to the stream os. More... | |
| ObjexxFCL::FArray2D_int | all_pairs_shortest_paths () const |
| O(V^3). Computes all pairs shortest paths using Warshall's algorithm and writes all the path distances to the two-dimensional table. More... | |
| Node const * | get_node (platform::Size index) const |
| Node * | get_node (platform::Size index) |
| platform::Size | num_edges () const |
| EdgeListConstIter | const_edge_list_begin () const |
| returns a const iterator to the beginning of the (unordered) edge list for the graph. this edge list contains all the edges in the graph, not simply those for a particular vertex More... | |
| EdgeListIter | edge_list_begin () |
| returns a non-const iterator to the beginning of the (unordered) edge list for the graph. this edge list contains all the edges in the graph, not simply those for a particular vertex More... | |
| EdgeListConstIter | const_edge_list_end () const |
| returns a const iterator to the end of the (unordered) edge list for the graph. this edge list contains all the edges in the graph, not simply those for a particular vertex More... | |
| EdgeListIter | edge_list_end () |
| returns a non-const iterator to the end of the (unordered) edge list for the graph. this edge list contains all the edges in the graph, not simply those for a particular vertex More... | |
| Edge * | find_edge (platform::Size node1, platform::Size node2) |
| returns a pointer to the edge connecting nodes node1 and node2, if that edge exists in the graph, o.w. returns 0. Focuses the graph on this edge for fast subsequent retrieval. More... | |
| Edge const * | find_edge (platform::Size node1, platform::Size node2) const |
| returns a const pointer to the edge connecting nodes node1 and node2, if that edge exists in the graph, o.w. returns 0. Focuses the graph on this edge for fast subsequent retrieval. More... | |
| Edge * | focused_edge () |
| returns a pointer to the focused edge More... | |
| Edge const * | focused_edge () const |
| returns a const-pointer to the focused edge More... | |
| platform::Size | getTotalMemoryUsage () const |
| returns a count of all the memory used by every vertex and edge in a graph by invoking the polymorphic count_static_memory and count_dynamic_memory of each (possibly derived) node and edge object as well as for the (possibly derived) graph class. More... | |
Protected Member Functions | |
| virtual Size | count_static_memory () const |
| virtual Size | count_dynamic_memory () const |
| virtual graph::Node * | create_new_node (Size node_index) |
| factory method for node creation, defined by derived graph classes, called by the base class More... | |
| virtual graph::Edge * | create_new_edge (Size index1, Size index2) |
| factory method for edge creation, defined by derived graph classes, called by the base class More... | |
| virtual graph::Edge * | create_new_edge (graph::Edge const *example_edge) |
| factory method for edge copy-construction. Derived class should downcast the example_edge pointer and may read that edge's data. More... | |
Static Private Attributes | |
| static Distance const | twelveA_ |
| static DistanceSquared const | twelveA_squared_ |
Definition at line 69 of file TwelveANeighborGraph.hh.
Definition at line 72 of file TwelveANeighborGraph.hh.
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virtual |
Definition at line 90 of file TwelveANeighborGraph.cc.
References core::graph::Graph::delete_everything().
| core::scoring::TwelveANeighborGraph::TwelveANeighborGraph | ( | ) |
Definition at line 92 of file TwelveANeighborGraph.cc.
Referenced by clone(), and count_static_memory().
| core::scoring::TwelveANeighborGraph::TwelveANeighborGraph | ( | Size | num_nodes) |
Definition at line 97 of file TwelveANeighborGraph.cc.
References core::graph::Graph::set_num_nodes().
| core::scoring::TwelveANeighborGraph::TwelveANeighborGraph | ( | TwelveANeighborGraph const & | source) |
Definition at line 104 of file TwelveANeighborGraph.cc.
References operator=().
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virtual |
Implements core::scoring::ContextGraph.
Definition at line 135 of file TwelveANeighborGraph.cc.
References TwelveANeighborGraph().
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virtual |
Implements core::scoring::ContextGraph.
Definition at line 125 of file TwelveANeighborGraph.cc.
References core::graph::Graph::add_edge(), and twelveA_squared_.
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protectedvirtual |
Reimplemented from core::scoring::ContextGraph.
Definition at line 152 of file TwelveANeighborGraph.cc.
References core::scoring::ContextGraph::count_dynamic_memory().
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protectedvirtual |
Implements core::scoring::ContextGraph.
Definition at line 147 of file TwelveANeighborGraph.cc.
References TwelveANeighborGraph().
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protectedvirtual |
factory method for edge creation, defined by derived graph classes, called by the base class
factory method for edge creation Should be overriden in derived classes
Reimplemented from core::graph::Graph.
Definition at line 167 of file TwelveANeighborGraph.cc.
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protectedvirtual |
factory method for edge copy-construction. Derived class should downcast the example_edge pointer and may read that edge's data.
Reimplemented from core::graph::Graph.
Definition at line 173 of file TwelveANeighborGraph.cc.
References core::graph::Edge::get_first_node_ind(), and core::graph::Edge::get_second_node_ind().
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protectedvirtual |
factory method for node creation, defined by derived graph classes, called by the base class
factory method for node creation Should be overriden in derived classes
Reimplemented from core::graph::Graph.
Definition at line 162 of file TwelveANeighborGraph.cc.
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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.
Definition at line 156 of file TwelveANeighborGraph.cc.
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virtual |
Implements core::scoring::ContextGraph.
Definition at line 119 of file TwelveANeighborGraph.cc.
References twelveA_.
| TwelveANeighborGraph & core::scoring::TwelveANeighborGraph::operator= | ( | TwelveANeighborGraph const & | source) |
Definition at line 113 of file TwelveANeighborGraph.cc.
References core::scoring::ContextGraph::operator=().
Referenced by TwelveANeighborGraph().
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virtual |
Implements core::scoring::ContextGraph.
Definition at line 141 of file TwelveANeighborGraph.cc.
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staticprivate |
– 12 A between nbr_atoms, + 6.12 A to the tip of arginine
Definition at line 116 of file TwelveANeighborGraph.hh.
Referenced by neighbor_cutoff().
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staticprivate |
Definition at line 117 of file TwelveANeighborGraph.hh.
Referenced by conditionally_add_edge().
1.8.4