franzblau.hpp File Reference
File for generating shortest-path rings according to the Franzblau algorithm. More...
#include <algorithm>#include <array>#include <fstream>#include <iostream>#include <iterator>#include <math.h>#include <memory>#include <sstream>#include <string>#include <sys/stat.h>#include <vector>#include <cage.hpp>#include <mol_sys.hpp>#include <seams_input.hpp>#include <seams_output.hpp>
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Data Structures | |
| struct | primitive::Vertex |
| This is a collection of elements, for each point, required for graph traversal. More... | |
| struct | primitive::Graph |
| This is a per-frame object, containing all the vertices for the particular frame, along with the vector of rings generated. More... | |
Namespaces | |
| primitive | |
| Functions for generating primitive rings. This namespace contains struct definitions and functions that are used for generating primitive (shortest-path) rings (directed cyclic graphs). | |
Functions | |
| std::vector< std::vector< int > > | primitive::ringNetwork (std::vector< std::vector< int >> nList, int maxDepth) |
| Graph | primitive::populateGraphFromNListID (molSys::PointCloud< molSys::Point< double >, double > *yCloud, std::vector< std::vector< int >> neighHbondList) |
| Graph | primitive::populateGraphFromIndices (std::vector< std::vector< int >> nList) |
| Graph | primitive::restoreEdgesFromIndices (Graph *fullGraph, std::vector< std::vector< int >> nList) |
| Graph | primitive::countAllRingsFromIndex (std::vector< std::vector< int >> neighHbondList, int maxDepth) |
| Creates a vector of vectors of all possible rings. More... | |
| Graph | primitive::removeNonSPrings (Graph *fullGraph) |
| Removes the non-SP rings, using the Franzblau shortest path criterion. More... | |
| int | primitive::findRings (Graph *fullGraph, int v, std::vector< int > *visited, int maxDepth, int depth, int root=-1) |
| Main function that searches for all rings. More... | |
| int | primitive::shortestPath (Graph *fullGraph, int v, int goal, std::vector< int > *path, std::vector< int > *visited, int maxDepth, int depth=1) |
| Calculates the shortest path. More... | |
| Graph | primitive::clearGraph (Graph *currentGraph) |
| Function for clearing vectors in Graph after multiple usage. More... | |
Detailed Description
File for generating shortest-path rings according to the Franzblau algorithm.
Definition in file franzblau.hpp.