exhaustive mode

[UnixJunkie]

if you only have few molecules and want to explore all the fragment combinations

[UnixJunkie]

this is only reasonable if there is a rather small number of fragments to choose from

[UnixJunkie]

there must be an integer parameter for safety to prevent looping; like maximum total number of fragments

[UnixJunkie]

fragments would need to be canonicalized first: keep only one copy of a given fragment per fragments table