the smart parser is on it's way.
I have updated the files to svn.
A big change in src\org\openscience\cdk\isomorphism\matchers package.
and a updated src\org\openscience\cdk\smiles\smarts\SMARTSParser.jj file
We can now parse the operators expression like [C,N,Cl,Ca] or [!r5&x2]
or any kind of expression involving operators.
Ex "[!r6&r5]=O" is returning 4 hit for pioglitazone well that count is wrong
but the atom coming out from SQT are exactly correct.
for similar query the atom coming out of SQT are very accurate but count is
doing something wrong i think.
or may be a logical error in this class.
src\org\openscience\cdk\isomorphism\matchers\smarts SMARTSOperatorAtom
please help me to find out the logical errors(I know there is).
Also what kind of logic should we use for operator precedence it's in the
same class.
Well though it is complete on the parsing side but to finish it we should
have to debug it properly.
the only known bug to me is for [C,N] query it is going in infinite loop
constantly printing the same result.
i am unable to figure it out.
THere must be some other bug that should be nutralised.But before the
release i think cdk will have a complete
support for substructure searching.
Cheers.
--
********************************
sushil ronghe
Center of Pharmacoinformatics
India
*********************************
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