IMP::atom::BondGraph Class Reference

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Detailed Description

Represent a bond graph as a boost graph.

The BondGraph class implements the following boost graph concepts

• bidirectional_graph
• adjacency_graph
• vertex_list_graph
• edge_list_graph.

See the Boost.Graph manual for more details and a list of algorithms.

The vertices are Bondeds. The type of the edge_descriptors is internal. You can use the get_bond() method to get the corresponding Bond.

And all vertices can be assumed to have internal boost vertex indices. The Boost.PropertyMap to access these can be accessed using the get_vertex_index_map() function.

Some usage examples

    boost::isomorphism(a,b,
        boost::isomorphism_map(BondGraph::VertexVertexPropertyMap(pk))
        .vertex_index1_map(a.get_vertex_index_map())
        .vertex_index2_map(b.get_vertex_index_map()));
boost::dijkstra_shortest_paths(a, Bonded(),
 boost::predecessor_map(BondGraph::VertexVertexPropertyMap(pk))
 .weight_map(BondGraph::EdgeFloatPropertyMap(Bond::get_legnth_key()))
 .distance_map(BondGraph::VertexFloatPropertyMap(FloatKey("graph distance")))
 .vertex_index_map(a.get_vertex_index_map()));

Warning: BondGraph has not been well tested yet

Use with caution and please report any bugs found.

Public Member Functions
	BondGraph (Hierarchy bd)
	The graph is on the leaves of the atom::Hierarchy.
Bond	get_bond (edge_descriptor d) const
Property maps
Boost.Graph makes extensive use of property maps. We define a few maps which use the particle attributes to store their data. Each map is constructed by passing an appropriate attribute key, to specify the attribute used to store the data. Attempt to store to an attribute which the particle does not already have adds the attribute to the particle. More information about property maps can be found in the Boost.PropertyMap documentation.
	EdgeFloatPropertyMap
	Provide boost access to a Float attribute on the edges such as length.
	EdgeIntPropertyMap
	Provide boost access to an Int attribute on each edge.
	VertexFloatPropertyMap
	Provide boost access to a Float attribute each vertex.
	VertexIntPropertyMap
	Provide boost access to an Int attribute each vertex.
	VertexVertexPropertyMap
	Provide boost access to a Particle attribute each vertex.
VertexIntPropertyMap	get_vertex_index_map () const

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Constructor & Destructor Documentation

IMP::atom::BondGraph::BondGraph

(

Hierarchy

bd

)

The graph is on the leaves of the atom::Hierarchy.

All the leaves will be made Bonded particles if they are not already.

Note:

The hierarchy must not have any bonds to particles not in the hierarchy.

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Field Documentation

IMP::atom::BondGraph::VertexVertexPropertyMap

Provide boost access to a Particle attribute each vertex.

The particles in question must be Bonded particles.

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

• bond_graph.h