r19633 - /branches/relax_disp/specific_analyses/relax_disp/disp_data.py -- May 03, 2013 - 14:54

Author: bugman
Date: Fri May  3 14:54:03 2013
New Revision: 19633

URL: http://svn.gna.org/viewcvs/relax?rev=19633&view=rev
Log:
Improvements to the specific_analysis.relax_disp.disp_data module.

The function loop_all_data() has been expanded to include the relaxation time 
period into the loop.
The functions return_intensity() and return_key() have been added to return 
peak intensities and the
key corresponding to the data returned by loop_all_data().


Modified:
    branches/relax_disp/specific_analyses/relax_disp/disp_data.py

Modified: branches/relax_disp/specific_analyses/relax_disp/disp_data.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/disp_data.py?rev=19633&r1=19632&r2=19633&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/disp_data.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/disp_data.py Fri May  3 
14:54:03 2013
@@ -26,7 +26,7 @@
 # relax module imports.
 from lib.errors import RelaxError, RelaxNoSpectraError
 from lib.list import count_unique_elements, unique_elements
-from specific_analyses.relax_disp.variables import CPMG_EXP, R1RHO_EXP
+from specific_analyses.relax_disp.variables import CPMG_EXP, FIXED_TIME_EXP, 
R1RHO_EXP
 
 
 
@@ -145,18 +145,20 @@
 
 
 def loop_all_data():
-    """Generator method for looping over the spectrometer frequency and 
dispersion points.
-
-    @return:    The spectrometer frequency and dispersion point data (either 
the spin-lock field strength in Hz or the nu_CPMG frequency in Hz).
-    @rtype:     float, float
+    """Generator method for looping over the spectrometer frequency, 
dispersion points, and relaxation times.
+
+    @return:    The spectrometer frequency, dispersion point data (either 
the spin-lock field strength in Hz or the nu_CPMG frequency in Hz), and the 
relaxation times.
+    @rtype:     float, float, float
     """
 
     # First loop over the spectrometer frequencies.
     for frq in loop_spectrometer():
         # Then the dispersion points.
         for point in loop_dispersion_point():
-            # Return both.
-            yield frq, point
+            # Finally the relaxation times.
+            for time in cdp.relax_time_list:
+                # Return all data.
+                yield frq, point, time
 
 
 def loop_dispersion_point():
@@ -253,6 +255,66 @@
     print("Setting the '%s' spectrum relaxation time period to %s s." % 
(spectrum_id, cdp.relax_times[spectrum_id]))
 
 
+def return_intensity(spin=None, frq=None, point=None, time=None, ref=False):
+    """Return the peak intensity corresponding to the given field strength 
and dispersion point.
+
+    The corresponding reference intensity can be returned if the ref flag is 
set.  This assumes that the data is of the fixed relaxation time period type.
+
+
+    @keyword spin:  The spin container object.
+    @type spin:     SpinContainer instance
+    @keyword frq:   The spectrometer frequency.
+    @type frq:      float
+    @keyword point: The dispersion point data (either the spin-lock field 
strength in Hz or the nu_CPMG frequency in Hz).
+    @type point:    float
+    @keyword time:  The relaxation time period.
+    @type time:     float
+    @keyword ref:   A flag which if True will cause the corresponding 
reference intensity to be returned instead.
+    @type ref:      bool
+    """
+
+    # Checks.
+    if ref and cdp.exp_type not in FIXED_TIME_EXP:
+        raise RelaxError("The reference peak intensity does not exist for 
the variable relaxation time period experiment types.")
+
+    # The key.
+    if ref:
+        key = return_key(frq=frq, point=None, time=time)
+    else:
+        key = return_key(frq=frq, point=point, time=time)
+
+    # Return the intensity.
+    return spin.intensities[key]
+
+
+def return_key(frq=None, point=None, time=None):
+    """Return the key corresponding to the spectrometer frequency, 
dispersion point, and relaxation time.
+
+    @keyword frq:   The spectrometer frequency.
+    @type frq:      float
+    @keyword point: The dispersion point data (either the spin-lock field 
strength in Hz or the nu_CPMG frequency in Hz).
+    @type point:    float
+    @keyword time:  The relaxation time period.
+    @type time:     float
+    @return:        The key corresponding to the spectrometer frequency, 
dispersion point, and relaxation time.
+    @rtype:         str
+    """
+
+    # The dispersion data.
+    if cdp.exp_type in CPMG_EXP:
+        disp_data = cdp.cpmg_frqs
+    else:
+        disp_data = cdp.spin_lock_nu1
+
+    # Loop over all spectrum IDs, returning the matching ID.
+    for id in cdp.spectrum_ids:
+        if cdp.frq[id] == frq and disp_data[id] == point and 
cdp.relax_times[id] == time:
+            return id
+
+    # Should not be here.
+    raise RelaxError("No key could be found corresponding to the 
spectrometer frequency %s, dispersion point %s and relaxation time %s." % 
(frq, point, time))
+
+
 def spin_lock_field(spectrum_id=None, field=None):
     """Set the spin-lock field strength (nu1) for the given spectrum.