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Testing for the _is_smiles positive test when Chem is None #1337

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Faith-Adegoke
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Thank you for taking your time to contribute to Ersilia, just a few checks before we proceed

  • Have you followed the guidelines in our Contribution Guide
  • Have you written new tests for your core changes, as applicable?
  • Have you successfully ran tests with your changes locally?

Description
The task is to test the CompoundIdentifier class (specifically the _is_smiles function) in ersilia/utils/identifiers/compound.py.

Changes to be made

  • Create a new Python file under the 'test' folder.
  • Use the pytest framework to implement unit testing for the _is_smiles positive test when Chem is None.
  • Give a correct SMILES string for testing (I used Dimethyl ether SMILES representation (COC)).
  • Verify that the function returns a true value when the right string is passed.

Status

The test has been implemented and it passed. This is the screenshot.
image

To do

  • To be reviewed by mentor.

Is this pull request related to any open issue? If yes, replace issueID below with the issue ID

Related to #1319

@DhanshreeA
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Closing as standard not adhered to, and we already have a test for this implemented in #1332

@DhanshreeA DhanshreeA closed this Nov 18, 2024
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2 participants