r8687 - in /branches/relax_disp: prompt/relax_disp.py specific_fns/relax_disp.py -- January 27, 2009 - 23:11

Author: semor
Date: Tue Jan 27 23:11:53 2009
New Revision: 8687

URL: http://svn.gna.org/viewcvs/relax?rev=8687&view=rev
Log:
A few fixes based on the unit tests problems.


Modified:
    branches/relax_disp/prompt/relax_disp.py
    branches/relax_disp/specific_fns/relax_disp.py

Modified: branches/relax_disp/prompt/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/prompt/relax_disp.py?rev=8687&r1=8686&r2=8687&view=diff
==============================================================================
--- branches/relax_disp/prompt/relax_disp.py (original)
+++ branches/relax_disp/prompt/relax_disp.py Tue Jan 27 23:11:53 2009
@@ -47,7 +47,7 @@
         self.__relax__ = relax
 
 
-    def calc_r2eff(self, exp_type='cpmg', id=None, delayT=None, 
int_cpmg=0.0, int_ref=0.0):
+    def calc_r2eff(self, exp_type='cpmg', id=None, delayT=None, 
int_cpmg=0.0, int_ref=1.0):
         """Calculate the effective transversal relaxation rate from the peak 
intensities.
 
         THIS FUNCTION IS NOT WRITTEN YET.
@@ -105,11 +105,11 @@
             raise RelaxNoneNumError, ('CPMG constant time delay (T)', delayT)
 
         # The CPMG peak intensity.
-        if type(int_cpmg) != float and type(delayT) != int:
+        if type(int_cpmg) != float and type(int_cpmg) != int:
             raise RelaxNumError, ('int_cpmg', int_cpmg)
 
         # The reference peak intensity.
-        if type(int_ref) != float and type(delayT) != int:
+        if type(int_ref) != float and type(int_ref) != int:
             raise RelaxNumError, ('int_ref', int_ref)
 
         # Execute the functional code.

Modified: branches/relax_disp/specific_fns/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_fns/relax_disp.py?rev=8687&r1=8686&r2=8687&view=diff
==============================================================================
--- branches/relax_disp/specific_fns/relax_disp.py (original)
+++ branches/relax_disp/specific_fns/relax_disp.py Tue Jan 27 23:11:53 2009
@@ -241,7 +241,7 @@
         return results[result_index]
 
 
-    def calc_r2eff(self, exp_type='cpmg', id=None, delayT=None, 
int_cpmg=0.0, int_ref=0.0):
+    def calc_r2eff(self, exp_type='cpmg', id=None, delayT=None, 
int_cpmg=0.0, int_ref=1.0):
         """Calculate the effective transversal relaxation rate from the peak 
intensities. The
         equation depends on the experiment type chosen, either 'cpmg' or 
'r1rho'.
 
@@ -258,10 +258,20 @@
         @type int_ref:       float
         """
 
-        if exp_type == 'cpmg':
+        # Avoid division by zero.
+        if int_ref == 0:
+            raise RelaxError, "The reference peak intensity should not have 
a value of 0 (zero)"
+
+        # Avoid other inmpossible mathematical situation.
+        if int_cpmg == 0:
+            raise RelaxError, "The CPMG peak intensity should not have a 
value of 0 (zero)"
+
+        if delayT == 0:
+            raise RelaxError, "The CPMG constant time delay (T) should not 
have a value of 0 (zero)"
+
+        if exp_type == 'cpmg' and delayT != None:
             r2eff = - ( 1 / delayT ) * log ( int_cpmg / int_ref )
-
-        return r2eff
+            return r2eff
 
 
     def cpmg_frq(self, cpmg_frq=None, spectrum_id=None):