Hi Greg,
Thank you. After more thought I decided that query-to-query matching is not
the best way to go for my task, regardless of what it does with recursive
SMARTS, so don't lose sleep about it on my behalf. :-) Still, it's good to
know about this behavior for future reference.
Best,
Ivan
On
Hi Ivan,
On Wed, Mar 7, 2018 at 8:58 PM, Ivan Tubert-Brohman <
ivan.tubert-broh...@schrodinger.com> wrote:
>
> Is it reasonable to expect that a SMARTS should match itself when
> useQueryQueryMatches=True?
>
Not my favorite kind of answer to give, but... "it depends"
> query =
Hi,
Is it reasonable to expect that a SMARTS should match itself when
useQueryQueryMatches=True?
query = Chem.MolFromSmarts('[C;!$(C=O)]Cl')
query.HasSubstructMatch(query, useQueryQueryMatches=True)
The above returns False. Without useQueryQueryMatches, it returns True, but
I think I need
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