Changeset 286 for trunk/import_cif.tcl

Timestamp:

Dec 4, 2009 5:03:31 PM (13 years ago)

Author:

toby

Message:

# on 2000/09/26 17:57:10, toby did:
change processing of ' & " for element symbol & element type
report error when a data name is used more than once in a block

File:

• trunk/import_cif.tcl (modified) (3 diffs, 3 props)

trunk/import_cif.tcl

@@ -120 +120 @@
             lbl $lbllist uiso $uisolist occ $occlist type $typelist {
         # should not be any quotes, but remove them, if there are
-        regsub -all {'} $lbl {} lbl
-        regsub -all {'} $type {} type
+        foreach var {lbl type} {
+            foreach char {' \"} {
+                set q {\\}
+                append q $char
+                set hidden [regsub -all $q [set $var] \200 $var]
+                if {[string index [set $var] 0] == $char} {
+                    regsub -all $char [set $var] {} $var
+                }
+                if {$hidden} {regsub -all \200 [set $var] $char $var}
+            }
+        }
         # CIF specifies types as Cu2+; GSAS uses Cu+2
         if {[regexp {([A-Za-z]+)([1-9])([+-])} $type junk elem sign val]} {
@@ -256 +265 @@
                 # -- should not be needed for a valid CIF but if a name is used
                 # -- twice in the same block, want to wipe out the 1st data
-                set block${blocks}($dataname) {}
+                catch {
+                    if {[set block${blocks}($dataname)] != ""} {
+                        # this is an error -- repeated data name
+                        append block${blocks}(errors) \
+                                "Data item $dataname is repeated near line $linenum\n"
+                    }   
+                    set block${blocks}($dataname) {}
+                }
                 set dataname {}
             } elseif {$loopflag > 0} {
@@ -349 +365 @@
             append block${blocks}(errors) "The string \"$item\" on line $linenum was unexpected\n"
         } else {
+            catch {
+                if {[set block${blocks}($dataname)] != ""} {
+                    # this is an error -- repeated data name
+                    append block${blocks}(errors) \
+                            "Data item $dataname is repeated near line $linenum\n"
+                }
+            }
             set block${blocks}($dataname) $item
             set dataname ""