TRuML utility functions (truml.utils)

Miscellaneous support functions

truml.utils.build_adj_list(mols)

Builds an adjacency list from a list of molecules

mols : list of Molecule instances

Adjacency list

truml.utils.dfs(al, m, v)

Depth first search (recursive)

al : Adjacency list m : Node list v : Current node index

None

truml.utils.flatten_pattern(cps)

Flattens a CPatternList into a list of Molecules

truml.utils.flatten_pattern_todict(cps)

Builds a dict where Molecule indices in a flattened CPatternList map to the CPattern indices in the CPatternList

truml.utils.get_connected_components(mols)

Determines explicitly connected components in a list of molecules

mols : list of Molecule instances

list of list of Molecule instances