AromaticAtomDescriptor code takes a parameter to indicate whether an
aromaticity perception should be carried out.
Oh i am sorry for not looking this into the file. This works.
OK, foreach (x:problems):
x=1,3:put the jar with the Jama classes in classpath (it's missing)
x=2,4:see below
x = (1,3)
As far as the class path for the jama is concern,i think it is in,
Because i have builded the project as a general netbeans project,
In this kind of projects all the file which are in the src are builded
at a time.
I am searching for the class path of my project in the xml file,
but i am not getting it.I will discuss this on netbeans community.
And also look into my project carefully to find out if anything is wrong.
x = (2,4)
Thank you very much egon for converting the termination of my code into
resumption.
I have carelessly coded that class it's true.
On 5/3/07, Rajarshi Guha <[EMAIL PROTECTED]> wrote:
On Wed, 2007-05-02 at 17:35 +0200, Egon Willighagen wrote:
> On Wednesday 02 May 2007, sushil ronghe wrote:
> > I have builded the jar in netbeans.
> That should cover problem 1-4... not sure about 5... will file that as
bug
> report and look into that later.
So it looks like you're automatically calculating descriptors and
therefore not setting parameters for specific descriptors. The
AromaticAtomDescriptor code takes a parameter to indicate whether an
aromaticity perception should be carried out.
By default it won't do the perception.
So when you send in the molecule, either
1) Make sure that aromaticity has been perceived
2) Set the parameter for the descriptor
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Rajarshi Guha <[EMAIL PROTECTED]>
GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE
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All seems condemned in the long run to approximate a state akin to
Gaussian noise.
-- James Martin
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sushil ronghe
Center of Pharmacoinformatics
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