schrodinger.test.squish.matsci.matsci module

Materials Science utils. Functions to help with specific features with MATSCI such as BASE64 decryption.

To use, add the following to the top of your test.py:

source(findFile(“scripts”, “matsci/matsci.py”))

@copyright: (c) Schrodinger, LLC. All rights reserved

schrodinger.test.squish.matsci.matsci.extract_base64(file)

Extract a human readable command from an input file with a BASE64 encoded command.

Parameters

file – The input .sh file path you want to decode.

Returns

string of the decoded commands.

Example

file_sh = os.path.join(maestro.cwd, ‘input.sh’) cmds = extract_base64(file_sh)

Then you can use assert statement to compare the output:

assert cmds == ref_cmds, “The written input file is not correct!” assert “optoelectronics” in cmds