Changeset 1012

Timestamp:

Sep 20, 2010 3:49:53 PM (10 years ago)

Author:

chlake

Message:

1 - Atom filters show only atom types present in the phase.
2 - Added phase number to Restraint Only Control Box Label
3 - Reset dmin and dmax if set to ""
4 - Fixed centering on Restraint only display
5 - Had to reset sr_top to global. Would not work with check all button when local.

File:

• branches/sandbox/distrest.tcl (modified) (9 diffs)

branches/sandbox/distrest.tcl

@@ -6 +6 @@
 #::sr_lookuplist1
 #::sr_lookuplist2
-#sr_top
+#::sr_top
 #::sr_checkall
 #::sr_entryvar(choicenum)
@@ -103 +103 @@
     set atom2_state  1
 
-    button $top.alabel1 -text "Atom 1"    -width 6 -anchor center \
+    button $top.alabel1 -text "Atom 1"    -width 7 -anchor center \
         -command "SR_Sort atom1 $main $top.alabel1 $top.alabel2 {}"
 
-    button $top.alabel2 -text "Atom 2"   -width 6  -anchor center \
+    button $top.alabel2 -text "Atom 2"   -width 7  -anchor center \
         -command "SR_Sort atom2 $main $top.alabel1 $top.alabel2 {}"
 
@@ -117 +117 @@
     grid $top.rlabel2 -column 5 -row 2
 
+
+    #remove traces to reset ::sr_entryvar(softatom1) and ::sr_entryvar(softatom2)
+    foreach item [trace vinfo ::sr_entryvar(softatom1)] {
+        eval trace vdelete ::sr_entryvar(softatom1) $item
+    }
+    foreach item [trace vinfo ::sr_entryvar(softatom2)] {
+        eval trace vdelete ::sr_entryvar(softatom2) $item
+    }
+    set ::sr_entryvar(softatom1) "all"
+    set ::sr_entryvar(softatom2) "all"
+    #restart traces
+    trace variable ::sr_entryvar(softatom1) w SR_Display
+    trace variable ::sr_entryvar(softatom2) w SR_Display
+
+
     SR_Rest_Only
     SR_Show_RestraintsOnly $main $rightfr
@@ -122 +137 @@
     eval trace vdelete ::sr_entryvar(softphase) $item
     }
+
     trace add variable ::sr_entryvar(softphase) write "SR_Show_RestraintsOnly $main $rightfr"
 }
 proc SR_Show_RestraintsOnly {main rightfr args} {
+
     SR_Fill_Display  $main
     ResizeScrollTable $rightfr
@@ -225 +242 @@
         #puts "$initsoftpar($x)"
         #set atom types into array
-        lappend ::sr_lookuplist1($type1) $x
-        lappend ::sr_lookuplist2($type2) $x
+        set i [lindex $bond_dist_array($x) 1]
+
+
+        lappend ::sr_lookuplist1${i}($type1) $x
+        lappend ::sr_lookuplist2${i}($type2) $x
 
         #add bond code to list element and key list
@@ -297 +317 @@
     pack $sr_rb -side top -fill both -expand 1
 
-    foreach {sr_top main side lbl} [MakeScrollTable $sr_rb] {}
+    foreach {::sr_top main side lbl} [MakeScrollTable $sr_rb] {}
     set     ::contraintmainbox $main
 
-    button $sr_top.alabel1 -text "Atom 1 " -width 7   \
-        -command "SR_Sort atom1 $main $sr_top.alabel1 $sr_top.alabel2 $sr_top.dlabel1"
-    button $sr_top.alabel2 -text "Atom 2 " -width 7 \
-        -command "SR_Sort atom2 $main $sr_top.alabel1 $sr_top.alabel2 $sr_top.dlabel1"
-    button $sr_top.dlabel1 -text "Distance " -width 9 \
-        -command "SR_Sort distance $main $sr_top.alabel1 $sr_top.alabel2 $sr_top.dlabel1"
-
-    grid $sr_top.alabel1 -column 1 -row 2
-    grid $sr_top.alabel2 -column 2 -row 2
-    grid $sr_top.dlabel1 -column 3 -row 2
-
-    label  $sr_top.rlabel1 -text "Restraint"
-    label  $sr_top.rlabel2 -text "esd"
-    grid $sr_top.rlabel1 -column 4 -row 2 -padx 20
-    grid $sr_top.rlabel2 -column 5 -row 2 -padx 20
-
-
-    button $sr_top.rcon1   -text "Check All" -width 10 -command {
+    button $::sr_top.alabel1 -text "Atom 1 " -width 7   \
+        -command "SR_Sort atom1 $main $::sr_top.alabel1 $::sr_top.alabel2 $::sr_top.dlabel1"
+    button $::sr_top.alabel2 -text "Atom 2 " -width 7 \
+        -command "SR_Sort atom2 $main $::sr_top.alabel1 $::sr_top.alabel2 $::sr_top.dlabel1"
+    button $::sr_top.dlabel1 -text "Distance " -width 9 \
+        -command "SR_Sort distance $main $::sr_top.alabel1 $::sr_top.alabel2 $::sr_top.dlabel1"
+
+    grid $::sr_top.alabel1 -column 1 -row 2
+    grid $::sr_top.alabel2 -column 2 -row 2
+    grid $::sr_top.dlabel1 -column 3 -row 2
+
+    label  $::sr_top.rlabel1 -text "Restraint"
+    label  $::sr_top.rlabel2 -text "esd"
+    grid $::sr_top.rlabel1 -column 4 -row 2 -padx 20
+    grid $::sr_top.rlabel2 -column 5 -row 2 -padx 20
+
+
+    button $::sr_top.rcon1   -text "Check All" -width 10 -command {
         set ::sr_checkall 1
         SR_Set_All_Check_Buttons
-        grid forget $sr_top.rcon1
-        grid $sr_top.rcon2 -column 6 -row 2 -padx 5
-    }
-
-    button $sr_top.rcon2   -text "Clear All" -width 10 -command {
+        grid forget $::sr_top.rcon1
+        grid $::sr_top.rcon2 -column 6 -row 2 -padx 5
+    }
+
+    button $::sr_top.rcon2   -text "Clear All" -width 10 -command {
         set ::sr_checkall 0
         SR_Set_All_Check_Buttons
-        grid forget $sr_top.rcon2
-        grid $sr_top.rcon1 -column 6 -row 2 -padx 5
-    }
-
-    grid $sr_top.rcon1   -column 6 -row 2 -padx 5
+        grid forget $::sr_top.rcon2
+        grid $::sr_top.rcon1 -column 6 -row 2 -padx 5
+    }
+
+    grid $::sr_top.rcon1   -column 6 -row 2 -padx 5
 
     #SR_Sort atom1 $main
@@ -354 +374 @@
     set len [llength $::sr_bond_list]
     set rownum 0
+    if {[string trim $::sr_dminvalue] == ""} {set ::sr_dminvalue 0}
+    if {[string trim $::sr_dmaxvalue] == ""} {set ::sr_dmaxvalue 1000}
     for {set i 0} {$i <= $len} {incr i} {
         set rprint  [lindex $::sr_bond_list $i]
@@ -576 +598 @@
     toplevel $mrb
     #pack $mrb -side top
-    wm title $mrb "Soft Restraint Control Panel"
+    wm title $mrb "Soft Restraint Control Panel for Phase $::sr_entryvar(softphase)"
     #wm geometry $mrb 415x500+10+10
     #wm geometry $mrb {}
@@ -595 +617 @@
     label $srcb2.restlabel    -text "Restraint Value" -width 16 -anchor w
     label $srcb2.restlabelesd -text "esd"
-    eval tk_optionMenu $srcb1.atom1 ::sr_entryvar(softatom1) "[lsort [array names ::sr_lookuplist1]] all"
-    eval tk_optionMenu $srcb1.atom2 ::sr_entryvar(softatom2) "[lsort [array names ::sr_lookuplist2]] all"
+
+    eval tk_optionMenu $srcb1.atom1 ::sr_entryvar(softatom1) "[lsort [array names ::sr_lookuplist1${::sr_entryvar(softphase)}]] all"
+    eval tk_optionMenu $srcb1.atom2 ::sr_entryvar(softatom2) "[lsort [array names ::sr_lookuplist2${::sr_entryvar(softphase)}]] all"