Changeset 355 for trunk/atomcons.tcl

Timestamp:

Dec 4, 2009 5:04:44 PM (14 years ago)

Author:

toby

Message:

# on 2000/11/27 21:05:56, toby did:
define type of XYZU+-F
set phase if only 1 is present

File:

• trunk/atomcons.tcl (modified) (8 diffs, 3 props)

trunk/atomcons.tcl

@@ -422 +422 @@
     if {$num == "new"} {
         set expcons(varmenu$ic) [tk_optionMenu $cfr.var$ic expcons(var$ic) \
-                FRAC X Y Z UISO U11 U22 U33 U12 U23 U13 MX MY MZ XYZU Uxx]
+                FRAC X Y Z UISO U11 U22 U33 U12 U23 U13 MX MY MZ XYZU Uxx XYZU+-F]
         $expcons(varmenu$ic) insert 14 separator
     } else {
@@ -449 +449 @@
         # set the various variables to initial values
         set expcons(atmlst$ic) {}
-        set expcons(phase$ic) {}
+        if {[llength $expmap(phaselist)] == 1} {
+            set expcons(phase$ic) $expmap(phaselist)
+            FillAtomsConstraintList $ic {}
+        } else {
+            set expcons(phase$ic) {}
+        }
         set expcons(var$ic) {}
         set expcons(mult$ic) 1.0
@@ -483 +488 @@
         XYZU {set allowed XYZU}
         UISO {set allowed UISO}
+        XYZU+-F {set allowed XYZU+-F}
         U11 -
         U22 -
@@ -583 +589 @@
 }
 
-# this is called to change an atomic consraint
+# this is called to change an atomic constraint
 proc SaveAtomConstraint {num top} {
     global expcons expgui
@@ -589 +595 @@
     # then add new constraints
     set varlist {{}}
+    if {$expcons(var1) == "XYZU+-F"} {set varlist "X Y Z UISO FRAC"}
     if {$expcons(var1) == "XYZU"} {set varlist "X Y Z UISO"}
     if {$expcons(var1) == "Uxx"} {set varlist "U11 U22 U33 U12 U23 U13"}
@@ -602 +609 @@
                     set v $var
                 }
-                set mult $expcons(mult$ic)
+                if  {$expcons(var1) == "XYZU+-F"} {
+                    set mult 1
+                } else {
+                    set mult $expcons(mult$ic)
+                }
                 set atomlist {}
                 foreach indx [$expcons(atomlistbox$ic) curselection] {
@@ -626 +637 @@
                     }
                     foreach atom $atomlist {
+                        if  {$expcons(var1) == "XYZU+-F" && \
+                                $var == "FRAC"} {
+                            set mult [expr -1*$mult]
+                        }
                         lappend clist [list $phase $atom $v $mult]
                     }
@@ -640 +655 @@
             return
         }
+        if {$expcons(var1) == "XYZU+-F" && [llength $atomlist] != 2} {
+            MyMessageBox -message \
+                    "Exactly 2 atoms must be linked with the XYZU+-F option" \
+                    -parent [winfo toplevel $expcons(atommaster)] \
+                    -helplink "expgui6.html XYZUF" \
+                    -type {Fix} -default fix -icon error
+            return
+        }
         if {$num == "new"} {
             constrinfo atom add {} $clist