Author: bugman Date: Tue Mar 3 17:22:14 2015 New Revision: 27762 URL: http://svn.gna.org/viewcvs/relax?rev=27762&view=rev Log: Merged revisions 27758-27761 via svnmerge from svn+ssh://bug...@svn.gna.org/svn/relax/trunk
........ r27758 | bugman | 2015-03-03 17:10:38 +0100 (Tue, 03 Mar 2015) | 6 lines The Rdc.test_rdc_copy_* system tests now check for the 'rdc_data_types' data structure. This is in the Rdc.test_rdc_copy_different_spins and Rdc.test_rdc_copy_back_calc system tests and shows that the rdc.copy user function fails to duplicate this information. ........ r27759 | bugman | 2015-03-03 17:11:47 +0100 (Tue, 03 Mar 2015) | 3 lines Removed a debugging printout. ........ r27760 | bugman | 2015-03-03 17:15:33 +0100 (Tue, 03 Mar 2015) | 6 lines The Rdc.test_rdc_copy_* system tests now check for the 'absolute_rdc' data structure. This is in the Rdc.test_rdc_copy_different_spins and Rdc.test_rdc_copy_back_calc system tests and shows that the rdc.copy user function fails to duplicate this information as well. ........ r27761 | bugman | 2015-03-03 17:18:14 +0100 (Tue, 03 Mar 2015) | 3 lines Expanded the rdc.copy user function to copy the RDC data type and absolute RDC flag information. ........ Modified: branches/frame_order_cleanup/ (props changed) branches/frame_order_cleanup/pipe_control/rdc.py branches/frame_order_cleanup/test_suite/system_tests/rdc.py Propchange: branches/frame_order_cleanup/ ------------------------------------------------------------------------------ --- svnmerge-integrated (original) +++ svnmerge-integrated Tue Mar 3 17:22:14 2015 @@ -1 +1 @@ -/trunk:1-27756 +/trunk:1-27761 Modified: branches/frame_order_cleanup/pipe_control/rdc.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/pipe_control/rdc.py?rev=27762&r1=27761&r2=27762&view=diff ============================================================================== --- branches/frame_order_cleanup/pipe_control/rdc.py (original) +++ branches/frame_order_cleanup/pipe_control/rdc.py Tue Mar 3 17:22:14 2015 @@ -388,11 +388,17 @@ interatom_to.rdc_bc = {} if hasattr(interatom_from, 'rdc_err') and not hasattr(interatom_to, 'rdc_err'): interatom_to.rdc_err = {} + if hasattr(interatom_from, 'rdc_data_types') and not hasattr(interatom_to, 'rdc_data_types'): + interatom_to.rdc_data_types = {} + if hasattr(interatom_from, 'absolute_rdc') and not hasattr(interatom_to, 'absolute_rdc'): + interatom_to.absolute_rdc = {} # Copy the value and error from pipe_from. value = None error = None value_bc = None + data_type = None + absolute_rdc = None if hasattr(interatom_from, 'rdc'): value = interatom_from.rdc[align_id] interatom_to.rdc[align_id] = value @@ -402,6 +408,12 @@ if hasattr(interatom_from, 'rdc_err'): error = interatom_from.rdc_err[align_id] interatom_to.rdc_err[align_id] = error + if hasattr(interatom_from, 'rdc_data_types'): + data_type = interatom_from.rdc_data_types[align_id] + interatom_to.rdc_data_types[align_id] = data_type + if hasattr(interatom_from, 'absolute_rdc'): + absolute_rdc = interatom_from.absolute_rdc[align_id] + interatom_to.absolute_rdc[align_id] = absolute_rdc # Append the data for printout. data.append([interatom_from.spin_id1, interatom_from.spin_id2]) @@ -418,13 +430,15 @@ data[-1].append("%20.15f" % error) else: data[-1].append("%20s" % error) + data[-1].append("%20s" % data_type) + data[-1].append("%20s" % absolute_rdc) # Printout. print("The following RDCs have been copied:\n") if back_calc: - write_data(out=sys.stdout, headings=["Spin_ID1", "Spin_ID2", "Value", "Back-calculated", "Error"], data=data) + write_data(out=sys.stdout, headings=["Spin_ID1", "Spin_ID2", "Value", "Back-calculated", "Error", "Data_type", "Absolute_RDC"], data=data) else: - write_data(out=sys.stdout, headings=["Spin_ID1", "Spin_ID2", "Value", "Error"], data=data) + write_data(out=sys.stdout, headings=["Spin_ID1", "Spin_ID2", "Value", "Error", "Data_type", "Absolute_RDC"], data=data) def corr_plot(format=None, title=None, subtitle=None, file=None, dir=None, force=False): Modified: branches/frame_order_cleanup/test_suite/system_tests/rdc.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/rdc.py?rev=27762&r1=27761&r2=27762&view=diff ============================================================================== --- branches/frame_order_cleanup/test_suite/system_tests/rdc.py (original) +++ branches/frame_order_cleanup/test_suite/system_tests/rdc.py Tue Mar 3 17:22:14 2015 @@ -159,20 +159,31 @@ ] for i in range(2): print("\nChecking data pipe '%s'." % pipes[i]) + + # Metadata. self.assert_(hasattr(ds[pipes[i]], 'align_ids')) self.assert_('tb' in ds[pipes[i]].align_ids) self.assert_(hasattr(ds[pipes[i]], 'rdc_ids')) self.assert_('tb' in ds[pipes[i]].rdc_ids) - self.interpreter.pipe.switch(pipe_name=pipes[i]) - self.assertEqual(count_spins(), 14) - self.assertEqual(len(cdp.interatomic), 7) + + # Spin data. + self.assertEqual(count_spins(pipe=pipes[i]), 14) + self.assertEqual(len(ds[pipes[i]].interatomic), 7) j = 0 - for interatom in interatomic_loop(): + for interatom in interatomic_loop(pipe=pipes[i]): # Residue 6 in the 'new' data pipe has no RDCs. if i == 1 and j == 1: self.assert_(not hasattr(interatom, 'rdc')) + self.assert_(not hasattr(interatom, 'rdc_data_types')) + self.assert_(not hasattr(interatom, 'absolute_rdc')) else: self.assertAlmostEqual(rdcs[i][j], interatom.rdc['tb']) + self.assert_(hasattr(interatom, 'rdc_data_types')) + self.assert_('tb' in interatom.rdc_data_types) + self.assertEqual(interatom.rdc_data_types['tb'], 'D') + self.assert_(hasattr(interatom, 'absolute_rdc')) + self.assert_('tb' in interatom.absolute_rdc) + self.assertEqual(interatom.absolute_rdc['tb'], False) j += 1 @@ -232,21 +243,32 @@ ] for i in range(2): print("\nChecking data pipe '%s'." % pipes[i]) + + # Metadata. self.assert_(hasattr(ds[pipes[i]], 'align_ids')) self.assert_('tb' in ds[pipes[i]].align_ids) self.assert_(hasattr(ds[pipes[i]], 'rdc_ids')) self.assert_('tb' in ds[pipes[i]].rdc_ids) - self.interpreter.pipe.switch(pipe_name=pipes[i]) - self.assertEqual(count_spins(), 14) - self.assertEqual(len(cdp.interatomic), 7) + + # Spin data. + self.assertEqual(count_spins(pipe=pipes[i]), 14) + self.assertEqual(len(ds[pipes[i]].interatomic), 7) j = 0 - for interatom in interatomic_loop(): + for interatom in interatomic_loop(pipe=pipes[i]): # Residue 6 in the 'new' data pipe has no RDCs. if i == 1 and j == 1: self.assert_(not hasattr(interatom, 'rdc')) + self.assert_(not hasattr(interatom, 'rdc_data_types')) + self.assert_(not hasattr(interatom, 'absolute_rdc')) else: self.assertAlmostEqual(rdcs[i][j], interatom.rdc['tb']) self.assertAlmostEqual(rdcs[i][j]+1.0, interatom.rdc_bc['tb']) + self.assert_(hasattr(interatom, 'rdc_data_types')) + self.assert_('tb' in interatom.rdc_data_types) + self.assertEqual(interatom.rdc_data_types['tb'], 'D') + self.assert_(hasattr(interatom, 'absolute_rdc')) + self.assert_('tb' in interatom.absolute_rdc) + self.assertEqual(interatom.absolute_rdc['tb'], False) j += 1 _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-commits