mailr6243 - in /1.3/test_suite/shared_data/saved_states: basic_heights_T2_ncyc1.bz2 create_peak_heights_T2_ncyc1.py


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Posted by edward on May 22, 2008 - 14:40:
Author: bugman
Date: Thu May 22 14:40:02 2008
New Revision: 6243

URL: http://svn.gna.org/viewcvs/relax?rev=6243&view=rev
Log:
Added a saved state containing Sparky peak heights.

This is will be used by the loading of peak heights system test.  A script 
was also added to allow
the saved state to be regenerated when necessary.


Added:
    1.3/test_suite/shared_data/saved_states/basic_heights_T2_ncyc1.bz2   
(with props)
    1.3/test_suite/shared_data/saved_states/create_peak_heights_T2_ncyc1.py

Added: 1.3/test_suite/shared_data/saved_states/basic_heights_T2_ncyc1.bz2
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/saved_states/basic_heights_T2_ncyc1.bz2?rev=6243&view=auto
==============================================================================
Binary file - no diff available.

Propchange: 1.3/test_suite/shared_data/saved_states/basic_heights_T2_ncyc1.bz2
------------------------------------------------------------------------------
    svn:mime-type = application/octet-stream

Added: 1.3/test_suite/shared_data/saved_states/create_peak_heights_T2_ncyc1.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/saved_states/create_peak_heights_T2_ncyc1.py?rev=6243&view=auto
==============================================================================
--- 1.3/test_suite/shared_data/saved_states/create_peak_heights_T2_ncyc1.py 
(added)
+++ 1.3/test_suite/shared_data/saved_states/create_peak_heights_T2_ncyc1.py 
Thu May 22 14:40:02 2008
@@ -1,0 +1,22 @@
+# relax script for regenerating the 'peak_heights_T2_ncyc1.bz2' saved state. 
 This is necessary when
+# the saved state becomes incompatible with relax during development.
+
+# Python module imports.
+import sys
+
+# The relax data store.
+from data import Data as ds
+
+
+# Add a data pipe to the data store.
+ds.add(pipe_name='rx', pipe_type='relax_fit')
+
+# Load the Lupin Ap4Aase sequence.
+sequence.read(file="Ap4Aase.seq", dir=sys.path[-1] + 
"/test_suite/system_tests/data")
+
+# Read the peak heights.
+relax_fit.read(file="T2_ncyc1_ave.list", dir=sys.path[-1] + 
"/test_suite/shared_data/curve_fitting", relax_time=0.0176)
+
+
+# Save the state.
+state.save('basic_heights_T2_ncyc1', force=True)




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