import os import IMP import IMP.em import IMP.test import IMP.core class Tests(IMP.test.TestCase): """Class to test EM correlation restraint""" def correaltion_test(self,data): for fn,res in data: scene = IMP.em.read_map(self.get_input_file_name(fn), self.mrw) scene.get_header_writable().set_resolution(res) r = IMP.em.FitRestraint(self.particles,scene) self.imp_model.add_restraint(r) score = self.imp_model.evaluate(False) print "EM score (1-CC) = "+str(score), " filename:",fn," res:", res self.assertLess(score, 0.05, "the correlation score is not correct") self.imp_model.remove_restraint(r) def test_compare_fit_score_to_imp_generated_maps(self): data = [["1z5s_5.imp.mrc",5], ["1z5s_10.imp.mrc",10], ["1z5s_15.imp.mrc",15], ["1z5s_20.imp.mrc",20]] self.correaltion_test(data) def setUp(self): """Build test model and optimizer""" IMP.test.TestCase.setUp(self) self.mrw=IMP.em.MRCReaderWriter() self.imp_model = IMP.Model() name=self.get_input_file_name("1z5s.pdb") print name self.mh = IMP.atom.read_pdb(name, self.imp_model,IMP.atom.CAlphaPDBSelector()) IMP.atom.add_radii(self.mh) IMP.atom.create_rigid_body(self.mh) #self.particles = IMP.Particles(IMP.core.get_leaves(self.mh)) self.particles = [] self.particles+=IMP.core.get_leaves(self.mh) if __name__ == '__main__': IMP.test.main()