mailr5588 - /1.3/generic_fns/palmer.py


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Posted by sebastien . morin . 1 on April 11, 2008 - 16:52:
Author: semor
Date: Fri Apr 11 16:52:51 2008
New Revision: 5588

URL: http://svn.gna.org/viewcvs/relax?rev=5588&view=rev
Log:
Modified the 'nucleus' variable to its new designation.


Modified:
    1.3/generic_fns/palmer.py

Modified: 1.3/generic_fns/palmer.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/palmer.py?rev=5588&r1=5587&r2=5588&view=diff
==============================================================================
--- 1.3/generic_fns/palmer.py (original)
+++ 1.3/generic_fns/palmer.py Fri Apr 11 16:52:51 2008
@@ -49,7 +49,7 @@
         self.relax = relax
 
 
-    def create(self, dir, force, binary, diff_search, sims, sim_type, trim, 
steps, constraints, nucleus, atom1, atom2, spin_id=None):
+    def create(self, dir, force, binary, diff_search, sims, sim_type, trim, 
steps, constraints, heteronuc_type, atom1, atom2, spin_id=None):
         """Function for creating the Modelfree4 input files.
 
         The following files are created:
@@ -87,7 +87,7 @@
         self.trim = trim
         self.steps = steps
         self.constraints = constraints
-        self.nucleus = nucleus
+        self.heteronuc_type = heteronuc_type
         self.atom1 = atom1
         self.atom2 = atom2
 
@@ -389,7 +389,7 @@
 
         file.write('%-14s' % "constants")
         file.write('%-6i' % cdp.res[i].num)
-        file.write('%-7s' % self.nucleus)
+        file.write('%-7s' % self.heteronuc_type)
         file.write('%-8.4f' % (cdp.gx / 1e7))
         file.write('%-8.3f' % (cdp.res[i].r * 1e10))
         file.write('%-8.3f\n' % (cdp.res[i].csa * 1e6))




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