Changeset 1017 for branches

Timestamp:

Oct 5, 2010 11:01:34 AM (13 years ago)

Author:

toby

Message:

read default radii from AFAC records

File:

• branches/sandbox/readexp.tcl (modified) (1 diff)

branches/sandbox/readexp.tcl

@@ -2722 +2722 @@
     }
 }
-
+# read default information about atom types (records copied to the .EXP file
+# from the gsas/data/atomdata.dat file as AFAC ...
+#     distrad returns a list of atom types (one or two letters) and 
+#                the corresponding distance
+# note that these values are read only (no set option)
+proc DefAtmTypInfo {parm} {
+    set keys [array names ::exparray " AFAC *_SIZ"]
+    set elmlist {}
+    if {[llength $keys] <= 0} {return ""}
+    foreach key $keys {
+        lappend elmlist [string trim [string range $key 6 7]]
+    }
+    switch -glob ${parm} {
+        distrad {
+            set out {}
+            foreach key $keys elm $elmlist {
+                set val [string range $::exparray($key) 0 9]
+                lappend out "$elm [string trim $val]"
+            }
+            return $out
+        }
+        angrad {
+            set out {}
+            foreach key $keys elm $elmlist {
+                set val [string range $::exparray($key) 10 19]
+                lappend out "$elm [string trim $val]"
+            }
+            return $out
+        }
+        default {
+            set msg "Unsupported DefAtmTypInfo access: parm=$parm"
+            tk_dialog .badexp "Error in readexp" $msg error 0 Exit
+        }
+    }
+}
 # write the .EXP file
 proc expwrite {expfile} {