group_decomposition.fg_query

fg_query module

Functions and SMARTs strings for querying specific functional groups from results table of group_decomposition.fragfunctions.identify_connected_fragments group_decomposition.fragfunctions.count_uniques, or group_decomposition.fragfunctions.count_groups_in_set

Functions

count_fgs(frag_frame, patt_dict)	Given functional group dictionary with patterns to match, return counts of each in fragment_frame
query_pattern(frag_frame, patt)	Determine number of functional groups matching pattern in fragment table