from StringIO import StringIO import IMP import IMP.test import IMP.atom import IMP.helper class PDBReadWriteTest(IMP.test.TestCase): def test_read(self): """Check getting a residue from an atomic protein""" m = IMP.Model() #! read PDB mp= IMP.atom.read_pdb(self.open_input_file("input.pdb"), m, IMP.atom.NonWaterPDBSelector()) chain= mp.get_child(0) r= IMP.atom.get_residue(chain, 10) self.assertNotEqual(r, IMP.atom.Hierarchy()) r.show() rr= IMP.atom.Residue(r.get_particle()) self.assertEqual(rr.get_index(), 10) def test_chain(self): """Check getting a residue from a cg protein""" IMP.set_log_level(IMP.VERBOSE) m= IMP.Model() p= IMP.Particle(m) mp=IMP.atom.create_protein(m, "a protein", 10, 100) r = IMP.atom.get_residue(mp, 10) r.show() self.assertNotEqual(r, IMP.atom.Hierarchy()) if __name__ == '__main__': IMP.test.main()