Re: [Cdk-user] SD tags

[Egon W. <ewi...@un...>]

On Sunday 28 January 2007 21:58, Rajarshi Guha wrote:
> Invariably I will know the names of my SD tags, so I can always create a
> temporary HashMap and extract the relevant properties via getProperty()
> and populate the HashMap and then send it setSdFields().

Well, I guess my hesitation comes from the fact that I have to know about SD 
internals when wanting to read or store simple molecular properties... I 
understand the step is not large, the math rather simple, but still... CDK 
has set/getProperty() to store properties... why add another layer?

Egon

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CUBIC
blog: http://chem-bla-ics.blogspot.com/