Author: bugman
Date: Wed Mar 27 15:40:18 2013
New Revision: 19247
URL: http://svn.gna.org/viewcvs/relax?rev=19247&view=rev
Log:
Ported r8720 from the old relax_disp branch into the new branch.
The command used was:
svn merge -r8719:8720
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/relax_disp/specific_fns/@r18123
specific_analyses
.....
r8720 | semor | 2009-02-03 00:01:37 +0100 (Tue, 03 Feb 2009) | 3 lines
Changed paths:
M /branches/relax_disp/specific_fns/relax_disp.py
Reordered a few functions for alphabetical reasons.
.....
Modified:
branches/relax_disp/specific_analyses/relax_disp.py
Modified: branches/relax_disp/specific_analyses/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp.py?rev=19247&r1=19246&r2=19247&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp.py Wed Mar 27 15:40:18
2013
@@ -274,6 +274,48 @@
return r2eff
+ def cpmg_delayT(self, id=None, delayT=None):
+ """Set the CPMG constant time delay (T) of the experiment.
+
+ @keyword id: The experimental identification string (allowing
for multiple experiments
+ per data pipe).
+ @type id: str
+ @keyword delayT: The CPMG constant time delay (T) in s.
+ @type delayT: float
+ """
+
+ # Test if the current data pipe exists.
+ pipes.test()
+
+ # Alias the current data pipe.
+ cdp = pipes.get_pipe()
+
+ # Set up the dictionnary data structure if it doesn't exist yet.
+ if not hasattr(cdp, 'delayT'):
+ cdp.delayT = {}
+
+ # Test if the pipe type is set to 'relax_disp'.
+ function_type = cdp.pipe_type
+ if function_type != 'relax_disp':
+ raise RelaxFuncSetupError,
specific_setup.get_string(function_type)
+
+ # Test if sequence data is loaded.
+ if not exists_mol_res_spin_data():
+ raise RelaxNoSequenceError
+
+ # Make sure the experiment type is set to 'cpmg'.
+ if not cdp.exp_type == 'cpmg':
+ raise RelaxError, "To use this user function, the experiment
type must be set to 'cpmg'."
+
+ # Test the CPMG constant time delay (T) has not already been set.
+ if cdp.delayT.has_key(id):
+ raise RelaxError, "The CPMG constant time delay (T) for the
experiment " + `id` + " has already been set."
+
+ # Set the CPMG constant time delay (T).
+ cdp.delayT[id] = delayT
+ print "The CPMG delay T for experiment " + `id` + " has been set to
" + `cdp.delayT[id]` + " s."
+
+
def cpmg_frq(self, cpmg_frq=None, spectrum_id=None):
"""Set the CPMG frequency associated with a given spectrum.
@@ -310,48 +352,6 @@
# Add the frequency at the correct position.
cdp.cpmg_frqs[index] = cpmg_frq
-
-
- def cpmg_delayT(self, id=None, delayT=None):
- """Set the CPMG constant time delay (T) of the experiment.
-
- @keyword id: The experimental identification string (allowing
for multiple experiments
- per data pipe).
- @type id: str
- @keyword delayT: The CPMG constant time delay (T) in s.
- @type delayT: float
- """
-
- # Test if the current data pipe exists.
- pipes.test()
-
- # Alias the current data pipe.
- cdp = pipes.get_pipe()
-
- # Set up the dictionnary data structure if it doesn't exist yet.
- if not hasattr(cdp, 'delayT'):
- cdp.delayT = {}
-
- # Test if the pipe type is set to 'relax_disp'.
- function_type = cdp.pipe_type
- if function_type != 'relax_disp':
- raise RelaxFuncSetupError,
specific_setup.get_string(function_type)
-
- # Test if sequence data is loaded.
- if not exists_mol_res_spin_data():
- raise RelaxNoSequenceError
-
- # Make sure the experiment type is set to 'cpmg'.
- if not cdp.exp_type == 'cpmg':
- raise RelaxError, "To use this user function, the experiment
type must be set to 'cpmg'."
-
- # Test the CPMG constant time delay (T) has not already been set.
- if cdp.delayT.has_key(id):
- raise RelaxError, "The CPMG constant time delay (T) for the
experiment " + `id` + " has already been set."
-
- # Set the CPMG constant time delay (T).
- cdp.delayT[id] = delayT
- print "The CPMG delay T for experiment " + `id` + " has been set to
" + `cdp.delayT[id]` + " s."
def create_mc_data(self, spin_id):
@@ -1113,26 +1113,6 @@
return spin.intensities
- def return_error(self, spin_id):
- """Return the standard deviation data structure.
-
- @param spin_id: The spin identification string, as yielded by the
base_data_loop() generator
- method.
- @type spin_id: str
- @return: The standard deviation data structure.
- @rtype: list of float
- """
-
- # Get the current data pipe.
- cdp = pipes.get_pipe()
-
- # Get the spin container.
- spin = return_spin(spin_id)
-
- # Return the error list.
- return spin.intensity_err
-
-
def return_data_name(self, name):
"""
Relaxation dispersion curve fitting data type string matching
patterns
@@ -1195,6 +1175,26 @@
return 'cpmg_frqs'
+ def return_error(self, spin_id):
+ """Return the standard deviation data structure.
+
+ @param spin_id: The spin identification string, as yielded by the
base_data_loop() generator
+ method.
+ @type spin_id: str
+ @return: The standard deviation data structure.
+ @rtype: list of float
+ """
+
+ # Get the current data pipe.
+ cdp = pipes.get_pipe()
+
+ # Get the spin container.
+ spin = return_spin(spin_id)
+
+ # Return the error list.
+ return spin.intensity_err
+
+
def return_grace_string(self, data_type):
"""Function for returning the Grace string representing the data
type for axis labelling."""
r19247 - /branches/relax_disp/specific_analyses/relax_disp.py