mailr7739 - in /branches/multi_processor_merge: ./ generic_fns/ prompt/ sample_scripts/


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Posted by edward on October 16, 2008 - 00:34:
Author: bugman
Date: Thu Oct 16 00:34:21 2008
New Revision: 7739

URL: http://svn.gna.org/viewcvs/relax?rev=7739&view=rev
Log:
Merged revisions 7708-7738 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3

........
  r7728 | semor | 2008-10-15 23:18:55 +0200 (Wed, 15 Oct 2008) | 5 lines
  
  Passed the 'file_data' variable to the det_dimensions() function and 
removed some 'self.' instances.
  
  The system test for XEasy peak list support now goes further... However, 
more work is still needed.
........
  r7730 | semor | 2008-10-16 00:13:40 +0200 (Thu, 16 Oct 2008) | 3 lines
  
  Added a missing 'cdp' definition...
........
  r7731 | semor | 2008-10-16 00:14:47 +0200 (Thu, 16 Oct 2008) | 3 lines
  
  Added a missing import.
........
  r7733 | semor | 2008-10-16 00:17:00 +0200 (Thu, 16 Oct 2008) | 3 lines
  
  Changed a normalization force flag to boolean.
........

Modified:
    branches/multi_processor_merge/   (props changed)
    branches/multi_processor_merge/generic_fns/grace.py
    branches/multi_processor_merge/generic_fns/intensity.py
    branches/multi_processor_merge/prompt/grace.py
    branches/multi_processor_merge/sample_scripts/relax_fit.py

Propchange: branches/multi_processor_merge/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Thu Oct 16 00:34:21 2008
@@ -1,1 +1,1 @@
-/1.3:1-7707
+/1.3:1-7738

Modified: branches/multi_processor_merge/generic_fns/grace.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/multi_processor_merge/generic_fns/grace.py?rev=7739&r1=7738&r2=7739&view=diff
==============================================================================
--- branches/multi_processor_merge/generic_fns/grace.py (original)
+++ branches/multi_processor_merge/generic_fns/grace.py Thu Oct 16 00:34:21 
2008
@@ -412,6 +412,9 @@
                                     string.
     @type y_return_grace_string:    function
     """
+
+    # Get the current data pipe.
+    cdp = pipes.get_pipe()
 
     # Graph G0.
     file.write("@with g0\n")

Modified: branches/multi_processor_merge/generic_fns/intensity.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/multi_processor_merge/generic_fns/intensity.py?rev=7739&r1=7738&r2=7739&view=diff
==============================================================================
--- branches/multi_processor_merge/generic_fns/intensity.py (original)
+++ branches/multi_processor_merge/generic_fns/intensity.py Thu Oct 16 
00:34:21 2008
@@ -38,16 +38,16 @@
 from relax_warnings import RelaxWarning, RelaxNoSpinWarning
 
 
-def det_dimensions():
+def det_dimensions(file_data):
     """Determine which are the proton and heteronuclei dimensions of the 
XEasy text file.
 
     @return:    None
     """
 
     # Loop over the lines of the file until the proton and heteronucleus is 
reached.
-    for i in xrange(len(self.file_data)):
+    for i in xrange(len(file_data)):
         # Extract the data.
-        res_num, w1_name, w2_name, intensity = 
self.intensity(self.file_data[i])
+        res_num, w1_name, w2_name, intensity = intensity(file_data[i])
 
         # Proton in w1, heteronucleus in w2.
         if w1_name == self.proton and w2_name == self.heteronuc:
@@ -354,7 +354,7 @@
 
     # Determine the proton and heteronucleus dimensions in the XEasy text 
file.
     if format == 'xeasy':
-        det_dimensions()
+        det_dimensions(file_data)
 
     # Loop over the peak intensity data.
     for i in xrange(len(file_data)):

Modified: branches/multi_processor_merge/prompt/grace.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/multi_processor_merge/prompt/grace.py?rev=7739&r1=7738&r2=7739&view=diff
==============================================================================
--- branches/multi_processor_merge/prompt/grace.py (original)
+++ branches/multi_processor_merge/prompt/grace.py Thu Oct 16 00:34:21 2008
@@ -24,7 +24,7 @@
 import sys
 
 # relax module imports.
-from relax_errors import RelaxBinError, RelaxNoneIntStrError, 
RelaxNoneStrError, RelaxStrError
+from relax_errors import RelaxBinError, RelaxBoolError, 
RelaxNoneIntStrError, RelaxNoneStrError, RelaxStrError
 from doc_string import regexp_doc
 import help
 from generic_fns import grace, minimise

Modified: branches/multi_processor_merge/sample_scripts/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/multi_processor_merge/sample_scripts/relax_fit.py?rev=7739&r1=7738&r2=7739&view=diff
==============================================================================
--- branches/multi_processor_merge/sample_scripts/relax_fit.py (original)
+++ branches/multi_processor_merge/sample_scripts/relax_fit.py Thu Oct 16 
00:34:21 2008
@@ -73,7 +73,7 @@
 grace.write(y_data_type='i0', file='i0.agr', force=True)    # Initial peak 
intensity.
 grace.write(y_data_type='rx', file='rx.agr', force=True)    # Relaxation 
rate.
 grace.write(x_data_type='relax_times', y_data_type='ave_int', 
file='intensities.agr', force=True)    # Average peak intensities.
-grace.write(x_data_type='relax_times', y_data_type='ave_int', norm=1, 
file='intensities_norm.agr', force=True)    # Average peak intensities 
(normalised).
+grace.write(x_data_type='relax_times', y_data_type='ave_int', norm=True, 
file='intensities_norm.agr', force=True)    # Average peak intensities 
(normalised).
 
 # Display the Grace plots.
 grace.view(file='chi2.agr')




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