suggested enhancement - EFlows in MolSearch

Grossman suggested I suggest this to Chemaxon:





Modify/extend class MolSearch to take Electron Flows (class MEFlow)


into account. Of course Flows are stored in the MDocument object and


not a Molecule object, so maybe an extended class would be better


than modifying class MolSearch (class MolSearchWithFlows extends MolSearch???). We need this for Perfect/Exact matches, including


matching electron flows as well as structural matches (or as part


of structural matches)





I've written code for this that tightly fits our purposes, but Grossman


thought I should suggest on the forum.





Kevin @ ACE @ UKy

(I moved this topic over to the search forum.)





Hi Kevin, Bob,





I am glad you have a solution for that. In the future, if someone else also asks for it, we may implement it. Another possibility would be to add customization possibilities to MolSearch in order to fine-tune molecular comparisons. (It is planned in relation to another problem.)





Best regards,


Szabolcs