Add tests for solvent writers
martimunicoy opened this issue · comments
Description
The classes that write solvent templates need to be tested. We can start by adding a test for the new OPLSOBC. Besides, a test for the OBC2 should also be added.
Support
I attach the templates to be used as reference when validating OPLSOBC: OBC_for_OPLS_test.zip
To validate OPLOBC template writer:
from peleffy.tests.test_solvent import TestSolvent
test = TestSolvent()
test.test_OBCOPLS_writer()