> On 31 March 2011 18:28, Noel O'Boyle <[email protected]> wrote: >> Hi Greg, >> >> With the deprecation of the AvailDescriptors module, it seems that the >> only way to get the list of descriptors is: >> len(Descriptors._descList) >> >> I don't like accessing hidden attributes; is there some better way to do >> this?
There was no good reason for this to be hidden, so I added Descriptors.descList. (Descriptors._descList is still present, just in case it's still used in client code). On Thu, Mar 31, 2011 at 11:39 PM, Noel O'Boyle <[email protected]> wrote: > I notice that _descList is missing at least the molecular formula and > molecular weight. Fixed; thanks for pointing it out. > What I'm really looking for is a replacement for > descDict in the original AvailDescriptors module. This doesn't really exist, but you can build your own: descDict = dict(Descriptors.descList) Best, -greg ------------------------------------------------------------------------------ Create and publish websites with WebMatrix Use the most popular FREE web apps or write code yourself; WebMatrix provides all the features you need to develop and publish your website. http://p.sf.net/sfu/ms-webmatrix-sf _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
