Files
rdkit/Code/SimDivPickers/MaxMinPicker.cpp
Greg Landrum 1e772eb335 merge in functionality for lazy picking (don't need to do the whole
distance matrix in advance) + initial picks (pick a set that's 
diverse w.r.t. the ones passed in);
Throw ValueErrorExceptions instead of invariants on bad input.
2007-11-24 06:26:46 +00:00

163 B
Executable File