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://bugman@xxxxxxxxxxx/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
r27762 - in /branches/frame_order_cleanup: ./ pipe_control/rdc.py test_suite/system_tests/rdc.py