Re: [Rdkit-discuss] Getting the list of descriptors

[Greg L. <gre...@gm...>]

> On 31 March 2011 18:28, Noel O'Boyle <bao...@gm...> 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 <bao...@gm...> 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