test package

Submodules

test.test_ralf module

class test.test_ralf.Test_ralf(methodName='runTest')

Bases: unittest.case.TestCase

Test the various functionalities of ralf.

classmethod setUpClass()

Hook method for setting up class fixture before running tests in the class.

test_binap()

binap ligand

test_custom_cutoff()

run with custom cutoff distance

test_knipholone()

knipholone natrual product

test_nonexistent_atom_1_id()

Bad ID for atom 1 error

test_nonexistent_atom_2_id()

Bad ID for atom 2 error

test_segphos()

segphos ligand

test_tolbinap()

tolbinap ligand

test_unbonded_atom_ids()

wrong atoms for tolbinap ligand

test_unrestricted_mol()

non-atropisomer should raise an error

Module contents