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Search does not work properly #29

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mirk-00 opened this issue Jul 24, 2023 · 0 comments
Open

Search does not work properly #29

mirk-00 opened this issue Jul 24, 2023 · 0 comments

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@mirk-00
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mirk-00 commented Jul 24, 2023

I noticed there were some issues with the search methods. Here some example taken from the tutorial that do not work as intended:

>>> from chemspipy import ChemSpider
>>> cs = ChemSpider('<My API KEY>')
>>> list(cs.search('O=C(OCC)C'))
[]
>>> list(cs.search('2157'))
[Compound(64853967)]

Here there are other simple molecules that are not found by search

>>> list(cs.search('O=C=O'))
[]
>>> list(cs.search('InChI=1S/H2O/h1H2'))
[]

If left like this the whole package is completely unusable. For what i can see only the search by name works and the one with CSID but the latter produces wrong matches.

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