Author: bugman
Date: Tue Mar 3 13:43:44 2015
New Revision: 27736
URL: http://svn.gna.org/viewcvs/relax?rev=27736&view=rev
Log:
Modified the rdc.copy user function to printout all copied RDC values and
errors.
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=27736&r1=27735&r2=27736&view=diff
==============================================================================
--- trunk/pipe_control/rdc.py (original)
+++ trunk/pipe_control/rdc.py Tue Mar 3 13:43:44 2015
@@ -345,7 +345,11 @@
dp_to.rdc_ids = []
# Loop over the align IDs.
+ data = []
for align_id in align_ids:
+ # Printout.
+ print("Coping RDCs for the alignment ID '%s'." % align_id)
+
# Copy the global data.
if align_id not in dp_to.align_ids and align_id not in dp_to.align_ids:
dp_to.align_ids.append(align_id)
@@ -382,10 +386,29 @@
interatom_to.rdc_err = {}
# Copy the value and error from pipe_from.
+ value = None
+ error = None
if hasattr(interatom_from, 'rdc'):
- interatom_to.rdc[align_id] = interatom_from.rdc[align_id]
+ value = interatom_from.rdc[align_id]
+ interatom_to.rdc[align_id] = value
if hasattr(interatom_from, 'rdc_err'):
- interatom_to.rdc_err[align_id] =
interatom_from.rdc_err[align_id]
+ error = interatom_from.rdc_err[align_id]
+ interatom_to.rdc_err[align_id] = error
+
+ # Append the data for printout.
+ data.append([interatom_from.spin_id1, interatom_from.spin_id2])
+ if is_float(value):
+ data[-1].append("%20.15f" % value)
+ else:
+ data[-1].append("%20s" % value)
+ if is_float(error):
+ data[-1].append("%20.15f" % error)
+ else:
+ data[-1].append("%20s" % error)
+
+ # Printout.
+ print("The following RDCs have been copied:\n")
+ write_data(out=sys.stdout, headings=["Spin_ID1", "Spin_ID2", "Value",
"Error"], data=data)
def corr_plot(format=None, title=None, subtitle=None, file=None, dir=None,
force=False):
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