import IMP import IMP.test import IMP.restrainer class RestraintTest(IMP.test.TestCase): def setUp(self): IMP.set_log_level(IMP.VERBOSE) IMP.test.TestCase.setUp(self) RepParser = IMP.restrainer.XMLRepresentation(self.get_input_file_name('saxs_representation.xml')) RestraintParser = IMP.restrainer.XMLRestraint(self.get_input_file_name('saxs_restraint.xml')) self.representation = RepParser.run() self.restraint = RestraintParser.run() self.Model = self.representation.to_model() self.restraint.add_to_representation(self.representation) def test_saxs_restraint(self): """Check saxs restraint""" restraint_name = 'saxs_restraint' r = self.restraint.get_restraint_by_name(restraint_name) score = r.imp_restraint.evaluate(False) self.assertAlmostEqual(score, 0.277968, delta=1e-2) self.Model.show() self.Model.evaluate(False) if __name__ == '__main__': IMP.test.main()