trying to get cpp and python to agree
added debug tests to cpp
debugging difference between cpp and python code
change loop to skip repeated ligands
compare fragmentation schemes
fragmentation comparison code
correct overlapping fragmentation scheme
include FragGroups to manage overlapping fragment sets
improved 2D comparison, corrected average similarity, and created greedy merging
merge fragments at pair level
count pair frequency and record pairs in dictionary
draw pairs
work on merge groups cpp
start enrichment code
additional enrichment code
extended to include groups and all files
get ranks for all targets
make cpp and python the same
get all pairs ranked
new merge algorithm