Functions for generating primitive rings. This namespace contains struct definitions and functions that are used for generating primitive (shortest-path) rings (directed cyclic graphs). More...
Data Structures | |
| struct | Graph |
| This is a per-frame object, containing all the vertices for the particular frame, along with the vector of rings generated. More... | |
| struct | Vertex |
| This is a collection of elements, for each point, required for graph traversal. More... | |
Functions | |
| std::vector< std::vector< int > > | ringNetwork (std::vector< std::vector< int > > nList, int maxDepth) |
| Graph | populateGraphFromNListID (molSys::PointCloud< molSys::Point< double >, double > *yCloud, std::vector< std::vector< int > > neighHbondList) |
| Graph | populateGraphFromIndices (std::vector< std::vector< int > > nList) |
| Graph | restoreEdgesFromIndices (Graph *fullGraph, std::vector< std::vector< int > > nList) |
| Graph | countAllRingsFromIndex (std::vector< std::vector< int > > neighHbondList, int maxDepth) |
| Creates a vector of vectors of all possible rings. | |
| Graph | removeNonSPrings (Graph *fullGraph) |
| Removes the non-SP rings, using the Franzblau shortest path criterion. | |
| int | findRings (Graph *fullGraph, int v, std::vector< int > *visited, int maxDepth, int depth, int root=-1) |
| Main function that searches for all rings. | |
| int | shortestPath (Graph *fullGraph, int v, int goal, std::vector< int > *path, std::vector< int > *visited, int maxDepth, int depth=1) |
| Calculates the shortest path. | |
| Graph | clearGraph (Graph *currentGraph) |
| Function for clearing vectors in Graph after multiple usage. | |
Functions for generating primitive rings. This namespace contains struct definitions and functions that are used for generating primitive (shortest-path) rings (directed cyclic graphs).
The Vertex object is a collection of elements for each point, required for graph traversal. The Graph object is an object for the whole frame, containing the information of all vertices, and a row-ordered vector of vector of the rings generated.
The Franzblau shortest-path criterion has been used. The SP (shortest-path) criterion is midway between the least restrictive and most restrictive criteria in the hierarchy.
The following is the procedure for finding primitive rings:
