Author: bugman
Date: Wed Oct 22 16:31:04 2014
New Revision: 26360
URL: http://svn.gna.org/viewcvs/relax?rev=26360&view=rev
Log:
Added printouts for the rdc.calc_q_factors and pcs_calc_q_factors user
functions.
These are activated by the new verbosity user function argument which defaults
to 1. If the value
is greater than 0, then the backend will print out all the calculated Q factors.
Modified:
trunk/pipe_control/pcs.py
trunk/pipe_control/rdc.py
trunk/user_functions/pcs.py
trunk/user_functions/rdc.py
Modified: trunk/pipe_control/pcs.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/pcs.py?rev=26360&r1=26359&r2=26360&view=diff
==============================================================================
--- trunk/pipe_control/pcs.py (original)
+++ trunk/pipe_control/pcs.py Wed Oct 22 16:31:04 2014
@@ -545,12 +545,18 @@
return True
-def q_factors(spin_id=None):
+def q_factors(spin_id=None, verbosity=0):
"""Calculate the Q factors for the PCS data.
@keyword spin_id: The spin ID string used to restrict the Q factor
calculation to a subset of all spins.
@type spin_id: None or str
- """
+ @keyword verbosity: A flag specifying the amount of information to print.
The higher the value, the greater the verbosity.
+ @type verbosity: int
+ """
+
+ # Initial printout.
+ if verbosity:
+ print("\nPCS Q factors:")
# Check the pipe setup.
check_pipe_setup(sequence=True)
@@ -612,6 +618,10 @@
if not pcs_bc_data:
warn(RelaxWarning("No back-calculated PCS data can be found for
the alignment ID '%s', skipping the PCS Q factor calculation for this
alignment." % align_id))
continue
+
+ # ID and PCS Q factor printout.
+ if verbosity:
+ print(" Alignment ID '%s': %.3f" % (align_id,
cdp.q_factors_pcs[align_id]))
# The total Q factor.
cdp.q_pcs = 0.0
Modified: trunk/pipe_control/rdc.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/rdc.py?rev=26360&r1=26359&r2=26360&view=diff
==============================================================================
--- trunk/pipe_control/rdc.py (original)
+++ trunk/pipe_control/rdc.py Wed Oct 22 16:31:04 2014
@@ -596,12 +596,18 @@
return True
-def q_factors(spin_id=None):
+def q_factors(spin_id=None, verbosity=1):
"""Calculate the Q factors for the RDC data.
@keyword spin_id: The spin ID string used to restrict the Q factor
calculation to a subset of all spins.
@type spin_id: None or str
- """
+ @keyword verbosity: A flag specifying the amount of information to print.
The higher the value, the greater the verbosity.
+ @type verbosity: int
+ """
+
+ # Initial printout.
+ if verbosity:
+ print("\nRDC Q factors (norm1, norm2):")
# Check the pipe setup.
check_pipe_setup(sequence=True)
@@ -713,6 +719,10 @@
# The second Q factor definition.
cdp.q_factors_rdc_norm2[align_id] = sqrt(sse / D2_sum)
+
+ # ID and RDC Q factor printout.
+ if verbosity:
+ print(" Alignment ID '%s': %.3f, %.3f" % (align_id,
cdp.q_factors_rdc[align_id], cdp.q_factors_rdc_norm2[align_id]))
# The total Q factor.
cdp.q_rdc = 0.0
Modified: trunk/user_functions/pcs.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/user_functions/pcs.py?rev=26360&r1=26359&r2=26360&view=diff
==============================================================================
--- trunk/user_functions/pcs.py (original)
+++ trunk/user_functions/pcs.py Wed Oct 22 16:31:04 2014
@@ -83,6 +83,13 @@
desc = "The spin ID string for restricting to subset of all selected
spins.",
can_be_none = True
)
+uf.add_keyarg(
+ name = "verbosity",
+ default = 1,
+ py_type = "int",
+ desc_short = "verbosity level",
+ desc = "The amount of information to print out. Set to zero to silence
the user function, or one to see all messages."
+)
# Description.
uf.desc.append(Desc_container())
uf.desc[-1].add_paragraph("For this to work, the back-calculated PCS data must
first be generated by the analysis specific code. Otherwise a warning will be
given.")
Modified: trunk/user_functions/rdc.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/user_functions/rdc.py?rev=26360&r1=26359&r2=26360&view=diff
==============================================================================
--- trunk/user_functions/rdc.py (original)
+++ trunk/user_functions/rdc.py Wed Oct 22 16:31:04 2014
@@ -83,6 +83,13 @@
desc = "The spin ID string for restricting to subset of all selected
spins.",
can_be_none = True
)
+uf.add_keyarg(
+ name = "verbosity",
+ default = 1,
+ py_type = "int",
+ desc_short = "verbosity level",
+ desc = "The amount of information to print out. Set to zero to silence
the user function, or one to see all messages."
+)
# Description.
uf.desc.append(Desc_container())
uf.desc[-1].add_paragraph("For this to work, the back-calculated RDC data must
first be generated by the analysis specific code. Otherwise a warning will be
given.")
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