[Cdk-devel] smart_parser in progress

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

Finally (){
 INRIng flag is alive for atom.
}

It will be agreat help for the programmer to code good application.
I am in process of coding a smart parser for that purpose i need some more
utility.
That's why from few days i am  constantly troubling every body.
Well next thing i would like to ask for in cdk is fallowing flags.
In3Ring
In4Ring
In5Ring
In6Ring
In7Ring
In8Ring

this what i think?
Design should be the same as for other properties.
although the ring size can indeed be arbitrarily large i don't think we
should go beyond ring size
of 8.

I am working withSVL in MOE it support ring upto 8,
In  SPL(Sybyl) the same,i mean for scripting the methods that are available.

so i don't think having the ring_Number flag for more than 8 ringsize
has any advantage.But ring perception has already been done !!

///////////////////////////////////////////////////////////////////////////
molecule.setProperty("RING_SIZE", new Integer(7));
i don't think this will work.
//////////////////////////////////////////////////////////////////////////

we have to set the property for the atom.
either these ways

> set the flags from ..In3Ring--In8Ring
> set the array of integers indicating the size of rings this atom is part
> of !
>

As the process will be time consuming we should do this on initialization of
the special
class like client_need_for_ring()

C& c are wellcome.

But i still support the first solution let me know what do you think.




-- 
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sushil ronghe
Center of Pharmacoinformatics
India
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