mailr8762 - /1.3/test_suite/shared_data/align_data/CaM/generate_data.py


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Posted by edward on February 09, 2009 - 16:07:
Author: bugman
Date: Mon Feb  9 16:07:30 2009
New Revision: 8762

URL: http://svn.gna.org/viewcvs/relax?rev=8762&view=rev
Log:
Shifted all print statements to the end.


Modified:
    1.3/test_suite/shared_data/align_data/CaM/generate_data.py

Modified: 1.3/test_suite/shared_data/align_data/CaM/generate_data.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/align_data/CaM/generate_data.py?rev=8762&r1=8761&r2=8762&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/align_data/CaM/generate_data.py (original)
+++ 1.3/test_suite/shared_data/align_data/CaM/generate_data.py Mon Feb  9 
16:07:30 2009
@@ -54,14 +54,6 @@
 # The magnetic susceptibility tensor.
 chi_tensor = tensor / pcs_const
 
-# Print out.
-print "\nAlignment tensor:\n" + `tensor`
-print "Eigenvalues: " + `eigvals(tensor)`
-print "Eigenvalue sum: " + `sum(eigvals(tensor))`
-print "Dipolar constant: " + `dip_const`
-print "\nSusceptibility tensor:\n" + `chi_tensor`
-print "PCS constant: " + `pcs_const`
-
 # Path to files.
 path = sys.path[-1] + '/test_suite/shared_data/'
 
@@ -80,7 +72,6 @@
 # Get the first calcium position.
 spin = return_spin(':1000@CA')
 centre = spin.pos
-print "\n\nPCS centre: " + `centre`
 
 # Open the results files.
 rdc_file = open('synth_rdc', 'w')
@@ -117,3 +108,15 @@
     # Calculate and write the RDC.
     rdc = dip_const * dot(transpose(spin.xh_vect), dot(tensor, spin.xh_vect))
     rdc_file.write("%20s%10s%10s%10s%10s%30.11f\n" % (mol, res_num, 
res_name, spin.num, spin.name, rdc))
+
+# Print outs.
+print "\nAlignment tensor (A):\n" + `tensor`
+print "Eigenvalues: " + `eigvals(tensor)`
+print "Eigenvalue sum: " + `sum(eigvals(tensor))`
+print "Dipolar constant: " + `dip_const`
+
+print "\nMagnetic susceptibility tensor (Chi):\n" + `chi_tensor`
+print "Eigenvalues: " + `eigvals(chi_tensor)`
+print "Eigenvalue sum: " + `sum(eigvals(chi_tensor))`
+print "PCS constant: " + `pcs_const`
+print "PCS centre: " + `centre`




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