Fixes #994 confusion in atomprop.

The atomprop code modified the contents of the atom
database files by turning everything into uppercase.
This caused confusion between elements and protein
or nucleic acid atom names.

Change-Id: Ia0ac4636471b7051bf38a714ed16e299bf3d64ab

diff --git a/src/gmxlib/atomprop.c b/src/gmxlib/atomprop.c
index 6c3d5a5bc045908f59091fb677a04327a33b9baf..9c2618b6e6cd6d8a4d2a77c047ad6b64411b79dc 100644 (file)
--- a/src/gmxlib/atomprop.c
+++ b/src/gmxlib/atomprop.c
@@ -161,8 +161,6 @@ static void add_prop(aprop_t *ap,gmx_residuetype_t restype,
        ap->bAvail[i] = FALSE;
       }
     }
-    upstring(atomnm);
-    upstring(resnm);
     ap->atomnm[ap->nprop] = strdup(atomnm);
     ap->resnm[ap->nprop]  = strdup(resnm);
     j = ap->nprop;
@@ -322,9 +320,7 @@ gmx_bool gmx_atomprop_query(gmx_atomprop_t aps,
   else { 
     strncpy(atomname,atomnm,MAXQ-1);
   }
-  upstring(atomname);
   strncpy(resname,resnm,MAXQ-1);
-  upstring(resname);
   
   j = get_prop_index(&(ap->prop[eprop]),ap->restype,resname,
                     atomname,&bExact);