Changeset 1219 for trunk/atomcons.tcl

Timestamp:

Aug 19, 2012 1:24:43 PM (11 years ago)

Author:

toby

Message:

Major new release: bug fixes for rigid bodies; Split Restraints from Constraints; add chemistry restraints; edit f' & f; fixes for fixing atoms; start work on Absorption constraints and interface for Fourier maps

File:

• trunk/atomcons.tcl (modified) (4 diffs)

trunk/atomcons.tcl

@@ -11 +11 @@
     grid [NoteBook $expgui(consFrame).n -bd 2 -side bottom] -sticky news
     source [file join $expgui(scriptdir) profcons.tcl]
-    source [file join $expgui(scriptdir) distrest.tcl]
 }
 
@@ -21 +20 @@
     catch {$expgui(consFrame).n delete macro}
     catch {$expgui(consFrame).n delete profile}
-    catch {$expgui(consFrame).n delete distrest}
     set atom normal
     set mm disabled
@@ -47 +45 @@
             -createcmd "MakeProfileConstraintsPane" \
             -raisecmd "DisplayProfileConstraints"]    
-    set expcons(distmaster) [\
-            $expgui(consFrame).n insert end distrest -text "Distance Restraints" \
-            -state $atom \
-            -createcmd "" \
-            -raisecmd "DisplayDistanceRestraints"]
- 
+
     set page [$expgui(consFrame).n raise]
     # open the atom constraints page if no page is open
@@ -829 +822 @@
     DisplayAtomConstraints $mode
 }
+######################################################################
+# restraints codes
+######################################################################
+# this is used once to create the constraint page
+proc MakeRestraintsPane {} {
+    global expgui expcons expmap
+    # create the notebook
+    grid [NoteBook $expgui(restrFrame).n -bd 2 -side bottom] -sticky news
+    source [file join $expgui(scriptdir) distrest.tcl]
+    source [file join $expgui(scriptdir) chemrest.tcl]
+}
+
+# this is used to update the contents of the constraint page when displayed
+proc DisplayRestraintsPane {} {
+    global expgui expcons expmap
+    # create pages for each of the constraint "subpages"
+    catch {$expgui(restrFrame).n delete distrest}
+    catch {$expgui(restrFrame).n delete chemrest}
+    set atom normal
+    set mm disabled
+    if {[llength $expmap(phasetype)] == 0} {
+        set atom disabled
+    } elseif {[lindex $expmap(phasetype) 0] == 4} {
+        set mm normal
+        if {[llength $expmap(phasetype)] == 1} {
+            set atom disabled
+        }
+    }
+    set expcons(distmaster) [\
+            $expgui(restrFrame).n insert end distrest -text "Distance Restraints" \
+            -state $atom \
+            -createcmd "" \
+            -raisecmd "DisplayDistanceRestraints"]
+ 
+    set expcons(chemmaster) [\
+            $expgui(restrFrame).n insert end chemrest -text "Chemical Restraints" \
+            -state $atom \
+            -createcmd "" \
+            -raisecmd "DisplayChemRestraints"]
+ 
+    set page [$expgui(restrFrame).n raise]
+    # open the atom constraints page if no page is open
+    if {$page == ""} {
+        foreach page [$expgui(restrFrame).n pages] {
+            # loop to the first non-disabled page
+            if {[$expgui(restrFrame).n itemcget $page -state] == "normal"} {
+                $expgui(restrFrame).n raise $page
+                return
+            }
+        }
+    } else {
+        set pageupdate [$expgui(restrFrame).n itemcget $page -raisecmd]
+        catch $pageupdate
+    }
+}