schrodinger.application.steps.test module¶
Utility code for testing of steps
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schrodinger.application.steps.test.getOutputs(step, inputs)[source]¶ Return all the outputs for the step using the inputs asserting that all the step outputs are instances of the proper type.
- Parameters
step (schrodinger.tasks.stepper._BaseStep) – the step to get the outputs for
inputs (list) – the inputs to use for the step
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schrodinger.application.steps.test.getOutputsFromSmiles(step, inputs)[source]¶ Return all the outputs for the step using the SMILES inputs asserting that all the step outputs are instances of the proper type.
- Parameters
step (schrodinger.tasks.stepper._BaseStep) – the step to get the outputs for
inputs (list) – the SMILES inputs to use for the step
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schrodinger.application.steps.test.getSmilesWrappedOutputs(step, inputs)[source]¶ Return all canonical SMILES outputs for the step using the SMILES inputs asserting that all the step outputs are instances of the proper type.
- Parameters
step (schrodinger.tasks.stepper._BaseStep) – the step to get the outputs for
inputs (list) – the SMILES inputs to use for the step
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schrodinger.application.steps.test.checkValidateSettings(step, msgs=None)[source]¶ Asserts that every issue message from the step’s validateSettings occurs in the msgs in the same order.
Note no distinction is made between warning or errors.
- Parameters
step (stepper._BaseStep) – the step whose validateSettings method is to be used
msgs (List[str] or NoneType) – the list of messages expected