Author: bugman
Date: Tue Mar 3 17:18:14 2015
New Revision: 27761
URL: http://svn.gna.org/viewcvs/relax?rev=27761&view=rev
Log:
Expanded the rdc.copy user function to copy the RDC data type and absolute RDC
flag information.
Modified:
trunk/pipe_control/rdc.py
Modified: trunk/pipe_control/rdc.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/rdc.py?rev=27761&r1=27760&r2=27761&view=diff
==============================================================================
--- trunk/pipe_control/rdc.py (original)
+++ trunk/pipe_control/rdc.py Tue Mar 3 17:18:14 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):
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