Changeset 1173 for branches/sandbox/expgui

Timestamp:

Sep 27, 2011 11:35:12 AM (10 years ago)

Author:

toby

Message:

fix RB where atoms are missing in sequence; turn of X flag when atoms are added to a RB; put 'r' on RB atoms in listbox; doc 'r'

File:

• branches/sandbox/expgui (modified) (1 diff)

branches/sandbox/expgui

@@ -1333 +1333 @@
 }
 
-# format a coordinate from a non-mm phase as 10 chars; mark fixed coordinates differently
+# format a coordinate from a non-mm phase as 10 chars; mark fixed 
+# and Rigid body coordinates differently
 proc ShowFixAtom {phase atom var} {
-  # is this fixed?
-  set param [string toupper $var]
-  if {[array name ::fix_param "$phase,$atom,$param"] != ""} {
-    return [format "%9.5fF" [atominfo $phase $atom $var]]
-  } else {
+    # is this fixed?
+    set param [string toupper $var]
+    if {[array name ::fix_param "$phase,$atom,$param"] != ""} {
+        return [format "%9.5fF" [atominfo $phase $atom $var]]
+    }
+    # is this atom in a rigid body?
+    if {[lsearch $::expmap(rbatoms_$phase) $atom] != -1} {
+        return [format "%9.5fr" [atominfo $phase $atom $var]]
+    }
     return [format "%10.6f" [atominfo $phase $atom $var]]
-  }
 }