[Cdk-devel] matches_count must be doing wrong

[sushil r. <ron...@gm...>]

While doing check out of the errors for query related to [x]
I found that the all the properties are set correctly for all the atoms like
x<n>

Infact the UniversalIsomorphismTester is giving the false for query C:C on
toluene.

> the quiry [x2]-A is even more worse it gives 18 hits.


i know some times back you told to parse c:c
but in smart parser atom definition we don't support element without caps

And Number of hits  is comming wrong for many of the query.

 Our defination of x<n> is exactly similar to that of DayLight. And this
property is set perfectly for all the atoms.
r<n> is also perfect for all atoms.


I think our matcher SMARTSQueryTool is doing something wrong while
calculating the number of matches.

Waiting for your suggestion for next move in this regard.

-- 
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sushil ronghe
Center of Pharmacoinformatics
India
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