r8912 - in /branches/bmrb/bmrblib: ./ kinetics/ -- March 06, 2009 - 11:33

Author: bugman
Date: Fri Mar  6 11:33:35 2009
New Revision: 8912

URL: http://svn.gna.org/viewcvs/relax?rev=8912&view=rev
Log:
Added checks for the residue names and numbers, and atom names.

They should not be None.


Modified:
    branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py
    branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py
    branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py
    branches/bmrb/bmrblib/misc.py

Modified: branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py?rev=8912&r1=8911&r2=8912&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_NOEs.py Fri Mar  6 11:33:35 2009
@@ -27,7 +27,7 @@
 """
 
 # relax module imports.
-from bmrblib.misc import translate
+from bmrblib.misc import no_missing, translate
 from bmrblib.tag_category import TagCategory
 from pystarlib.SaveFrame import SaveFrame
 from pystarlib.TagTable import TagTable
@@ -74,6 +74,11 @@
         @type errors:           list of float
         """
 
+        # Check the ID info.
+        no_missing(res_nums, 'residue numbers of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
+        no_missing(res_names, 'residue names of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
+        no_missing(atom_names, 'atom names of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
+
         # Place the args into the namespace.
         self.frq = frq
         self.res_nums = translate(res_nums)

Modified: branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py?rev=8912&r1=8911&r2=8912&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_T1_relaxation.py Fri Mar  6 
11:33:35 2009
@@ -27,7 +27,7 @@
 """
 
 # relax module imports.
-from bmrblib.misc import translate
+from bmrblib.misc import no_missing, translate
 from bmrblib.tag_category import TagCategory
 from pystarlib.SaveFrame import SaveFrame
 from pystarlib.TagTable import TagTable
@@ -74,6 +74,11 @@
         @type errors:           list of float
         """
 
+        # Check the ID info.
+        no_missing(res_nums, 'residue numbers of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
+        no_missing(res_names, 'residue names of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
+        no_missing(atom_names, 'atom names of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
+
         # Place the args into the namespace.
         self.frq = frq
         self.res_nums = translate(res_nums)

Modified: branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py?rev=8912&r1=8911&r2=8912&view=diff
==============================================================================
--- branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py (original)
+++ branches/bmrb/bmrblib/kinetics/heteronucl_T2_relaxation.py Fri Mar  6 
11:33:35 2009
@@ -27,7 +27,7 @@
 """
 
 # relax module imports.
-from bmrblib.misc import translate
+from bmrblib.misc import no_missing, translate
 from bmrblib.tag_category import TagCategory
 from pystarlib.SaveFrame import SaveFrame
 from pystarlib.TagTable import TagTable
@@ -74,6 +74,11 @@
         @type errors:           list of float
         """
 
+        # Check the ID info.
+        no_missing(res_nums, 'residue numbers of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
+        no_missing(res_names, 'residue names of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
+        no_missing(atom_names, 'atom names of the ' + `int(frq*1e-6)` + ' 
MHz NOE data')
+
         # Place the args into the namespace.
         self.frq = frq
         self.res_nums = translate(res_nums)

Modified: branches/bmrb/bmrblib/misc.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/misc.py?rev=8912&r1=8911&r2=8912&view=diff
==============================================================================
--- branches/bmrb/bmrblib/misc.py (original)
+++ branches/bmrb/bmrblib/misc.py Fri Mar  6 11:33:35 2009
@@ -24,6 +24,34 @@
 """Functions for manipulating NMR-STAR dictionary data."""
 
 
+def no_missing(data, name):
+    """Check that there are no None values in the data.
+
+    @param data:    The data to check.
+    @type data:     anything
+    @param name:    The name associated with the data.
+    @type name:     str
+    """
+
+    # Init.
+    missing = False
+
+    # List data.
+    if type(data) == list:
+        # Loop over the data.
+        for i in range(len(data)):
+            if data[i] == None or data[i] == 'None':
+                missing = True
+
+    # None.
+    if data == None:
+        missing = True
+
+    # Fail.
+    if missing:
+        raise NameError, "Data is missing from the " + name + '.'
+
+
 def translate(data):
     """Translate all None values into the '?' string.