# HG changeset patch
# User linda.bakker@wur.nl <linda.bakker@wur.nl>
# Date 1430482106 -7200
# Node ID f70b2c169e3a6f595f65c3fbb9e93d51c922f657
# Parent  1cfe2b57d7f453ee100b548776bc1a6b871ab28a
fixed select column option

diff -r 1cfe2b57d7f4 -r f70b2c169e3a GCMS/library_lookup.py
--- a/GCMS/library_lookup.py	Fri Apr 17 17:08:48 2015 +0200
+++ b/GCMS/library_lookup.py	Fri May 01 14:08:26 2015 +0200
@@ -23,7 +23,7 @@
     if ('columntype' not in header or
         'columnphasetype' not in header or
         'cas' not in header):
-        raise IOError('Missing columns in ', library_file)
+        raise IOError('Missing columns (create_lookup_table) in ', library_file)
 
     column_type_column = header.index("columntype")
     statphase_column = header.index("columnphasetype")
diff -r 1cfe2b57d7f4 -r f70b2c169e3a GCMS/library_lookup.xml
--- a/GCMS/library_lookup.xml	Fri Apr 17 17:08:48 2015 +0200
+++ b/GCMS/library_lookup.xml	Fri May 01 14:08:26 2015 +0200
@@ -61,7 +61,7 @@
   <outputs>
     <data format="tabular" label="${tool.name} on" name="output" />
 </outputs>
-<code file="../match_library.py" />
+<code file="match_library.py" />
   <help>
 Performs a lookup of the RI values by matching CAS numbers from the given NIST identifications file to a library.
 If a direct match is NOT found for the preferred column name, a regression can be done to find
diff -r 1cfe2b57d7f4 -r f70b2c169e3a GCMS/match_library.py
--- a/GCMS/match_library.py	Fri Apr 17 17:08:48 2015 +0200
+++ b/GCMS/match_library.py	Fri May 01 14:08:26 2015 +0200
@@ -23,7 +23,7 @@
         (data, header) = read_library(library_file)
     
         if 'columntype' not in header:
-            raise IOError('Missing columns in ', library_file)
+            raise IOError('(get_column_type) Missing columns in  ', library_file)
     
         # Filter data on column type
         column_type = header.index("columntype")
@@ -46,7 +46,7 @@
     
         if ('columntype' not in header or
             'columnphasetype' not in header):
-            raise IOError('Missing columns in ', library_file)
+            raise IOError('(filter_column) Missing columns in ', library_file)
     
         column_type = header.index("columntype")
         statphase = header.index("columnphasetype")
@@ -74,7 +74,7 @@
         if ('columntype' not in header or
             'columnphasetype' not in header or
             'columnname' not in header):
-            raise IOError('Missing columns in ', library_file)
+            raise IOError('(filter_column2) Missing columns in ', library_file)
     
         column_type_column = header.index("columntype")
         statphase_column = header.index("columnphasetype")