r8339 - in /branches/relax_disp: prompt/ specific_fns/ test_suite/system_tests/scripts/ -- January 08, 2009 - 17:48

Author: semor
Date: Thu Jan  8 17:48:13 2009
New Revision: 8339

URL: http://svn.gna.org/viewcvs/relax?rev=8339&view=rev
Log:
Added the user function cpmg_delayT() which allows setting the CPMG constant 
time delay T used for
the analysed dataset.

This follows a post at:
https://mail.gna.org/public/relax-devel/2009-01/msg00027.html
(Message-id: <496583C7.6050607@xxxxxxxxx>)


Modified:
    branches/relax_disp/prompt/relax_disp.py
    branches/relax_disp/specific_fns/relax_disp.py
    
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

Modified: branches/relax_disp/prompt/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/prompt/relax_disp.py?rev=8339&r1=8338&r2=8339&view=diff
==============================================================================
--- branches/relax_disp/prompt/relax_disp.py (original)
+++ branches/relax_disp/prompt/relax_disp.py Thu Jan  8 17:48:13 2009
@@ -45,6 +45,42 @@
 
         # Place relax in the class namespace.
         self.__relax__ = relax
+
+
+    def cpmg_delayT(self, id=None, delayT=None):
+        """Set the CPMG constant time delay (T) of the experiment.
+
+        Keyword arguments
+        ~~~~~~~~~~~~~~~~~
+
+        id:  The experiment identification string.
+
+        delayT:   The CPMG constant time delay (T) in s.
+
+
+        Description
+        ~~~~~~~~~~~
+
+        This user function allows the CPMG constant time delay (T) of a 
given experiment to be set.
+        """
+
+        # Function intro text.
+        if self.__relax__.interpreter.intro:
+            text = sys.ps3 + "delayT("
+            text = text + "id=" + `id`
+            text = text + ", delayT=" + `delayT` + ")"
+            print text
+
+        # Id string.
+        if type(id) != str:
+            raise RelaxStrError, ('experiment identification string', id)
+
+        # The CPMG constant time delay (T).
+        if type(delayT) != float and type(delayT) != int:
+            raise RelaxNumError, ('CPMG constant time delay (T)', delayT)
+
+        # Execute the functional code.
+        specific_fns.relax_disp.cpmg_delayT(id=id, delayT=delayT)
 
 
     def exp_type(self, exp='cpmg'):

Modified: branches/relax_disp/specific_fns/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_fns/relax_disp.py?rev=8339&r1=8338&r2=8339&view=diff
==============================================================================
--- branches/relax_disp/specific_fns/relax_disp.py (original)
+++ branches/relax_disp/specific_fns/relax_disp.py Thu Jan  8 17:48:13 2009
@@ -205,6 +205,41 @@
 
         # Add the frequency at the correct position.
         cdp.cpmg_frqs[index] = frq
+
+
+    def cpmg_delayT(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
+        """
+
+        # Function intro text.
+        if self.__relax__.interpreter.intro:
+            text = sys.ps3 + "delayT("
+            text = text + "id=" + `id`
+            text = text + ", delayT=" + `delayT` + ")"
+            print text
+
+        # 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 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
 
 
     def create_mc_data(self, spin_id):

Modified: 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py?rev=8339&r1=8338&r2=8339&view=diff
==============================================================================
--- 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py 
(original)
+++ 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py 
Thu Jan  8 17:48:13 2009
@@ -22,6 +22,9 @@
 
 # Relaxation dispersion magnetic field (in Hz).
 frq.set(id='600', frq=600.0 * 1e6)
+
+# Relaxation dispersion CPMG constant time delay T (in s).
+cpmg_delayT(id='600', delayT=0.020)
 
 # Relaxation dispersion CPMG frequencies (in Hz).
 cpmg_frq = [