User 953c0d67b0
16-06-2006 11:29:50
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
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