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)[source]¶
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