Author: han87 Date: Mon Jun 27 15:16:46 2011 New Revision: 13235 URL: http://svn.gna.org/viewcvs/relax?rev=13235&view=rev Log: Reverted r13234 as it contains several unrelated changes. The command used was: svn merge -r 13234:13227 . This commit contains several unrelated changes in /generic_fns/structure/main.py and /generic_fns/mol_res_spin.py. Modified: branches/xyz/generic_fns/mol_res_spin.py branches/xyz/generic_fns/structure/main.py branches/xyz/test_suite/system_tests/structure.py Modified: branches/xyz/generic_fns/mol_res_spin.py URL: http://svn.gna.org/viewcvs/relax/branches/xyz/generic_fns/mol_res_spin.py?rev=13235&r1=13234&r2=13235&view=diff ============================================================================== --- branches/xyz/generic_fns/mol_res_spin.py (original) +++ branches/xyz/generic_fns/mol_res_spin.py Mon Jun 27 15:16:46 2011 @@ -867,7 +867,6 @@ # The data pipe. if pipe == None: pipe = pipes.cdp_name() - print "pipe", pipe # Test the data pipe. pipes.test(pipe) Modified: branches/xyz/generic_fns/structure/main.py URL: http://svn.gna.org/viewcvs/relax/branches/xyz/generic_fns/structure/main.py?rev=13235&r1=13234&r2=13235&view=diff ============================================================================== --- branches/xyz/generic_fns/structure/main.py (original) +++ branches/xyz/generic_fns/structure/main.py Mon Jun 27 15:16:46 2011 @@ -180,7 +180,6 @@ model_index = -1 last_model = None for model_num, mol_name, res_num, res_name, atom_num, atom_name, element, pos in cdp.structure.atom_loop(atom_id=spin_id, str_id=str_id, model_num_flag=True, mol_name_flag=True, res_num_flag=True, res_name_flag=True, atom_num_flag=True, atom_name_flag=True, element_flag=True, pos_flag=True, ave=ave_pos): - # Update the model info. if last_model != model_num: model_index = model_index + 1 Modified: branches/xyz/test_suite/system_tests/structure.py URL: http://svn.gna.org/viewcvs/relax/branches/xyz/test_suite/system_tests/structure.py?rev=13235&r1=13234&r2=13235&view=diff ============================================================================== --- branches/xyz/test_suite/system_tests/structure.py (original) +++ branches/xyz/test_suite/system_tests/structure.py Mon Jun 27 15:16:46 2011 @@ -656,7 +656,7 @@ path = status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'structures' # Read the xyz. - self.interpreter.structure.read_xyz(file='SSS-cluster4-new-test.xyz', dir=path, read_model=[1]) + self.interpreter.structure.read_xyz(file='SSS-cluster4-new-test.xyz', dir=path, read_model=[1,3]) # Test the molecule name. self.assertEqual(cdp.structure.structural_data[0].mol[0].mol_name, 'SSS-cluster4-new-test_mol1') @@ -665,20 +665,6 @@ self.interpreter.structure.load_spins('#SSS-cluster4-new-test_mol1@2') self.assertEqual(count_spins(), 1) - # Test the spin coordinates. - mol = cdp.structure.structural_data[0].mol[0] - last_spin_x=[] - last_spin_y=[] - last_spin_z=[] - for i in xrange(len(mol.atom_num)): - last_spin_x.append(mol.x[i]) - last_spin_y.append(mol.y[i]) - last_spin_z.append(mol.z[i]) - - self.assertEqual(last_spin_x[160], -9.947) - self.assertEqual(last_spin_y[160], -6.062) - self.assertEqual(last_spin_z[160], 11.682) - # Try loading a few protons. #self.interpreter.structure.load_spins('@H')