Changeset 849

Timestamp:

Dec 4, 2009 5:13:06 PM (13 years ago)

Author:

toby

Message:

# on 2005/09/12 23:34:05, toby did:
add missing proc

File:

• trunk/addcmds.tcl (modified) (1 diff, 3 props)

trunk/addcmds.tcl

@@ -2337 +2337 @@
 }
 
+proc XformAtoms2Origin2 {phase numberList w1 shift} {
+    global expgui expmap
+    set parent [winfo toplevel $w1]
+    if {[llength $numberList] != [llength $expmap(atomlist_$phase)]} {
+        # not all atoms were selected in phase -- do a sanity check
+        set msg {You have selected only some atoms to be shifted. Do you want to shift all atoms or only the selected atoms?}
+        set val [MyMessageBox -parent $parent -icon warning \
+                     -type "{Use all} {Use Selection}" -default "use all" \
+                     -title "Shift all" -message $msg]
+        puts "$phase $numberList $w1 $shift"
+        if {$val == "use all"} {set numberList $expmap(atomlist_$phase)}
+    }
+    if {[lindex $expmap(phasetype) [expr {$phase - 1}]] == 4} {
+        set cmd mmatominfo
+    } else {
+        set cmd atominfo
+    }
+    foreach atom $numberList {
+        foreach v {x y z} vs $shift {
+            set c [$cmd $phase $atom $v]
+            $cmd $phase $atom $v set [expr {$c + $vs}]
+        }
+        incr expgui(changed)
+    }
+
+    MyMessageBox -parent $parent -type OK -default ok -title "Shift applied" \
+        -message "A shift of \"$shift\" has been applied to atoms [CompressList $numberList]"
+    UpdateAtomLine $numberList $phase
+    destroy $parent
+}
 # default
 set newhist(insttype) {}