Changeset 179 for trunk/addcmds.tcl

Timestamp:

Dec 4, 2009 5:01:43 PM (14 years ago)

Author:

toby

Message:

# on 2000/06/01 02:46:47, toby did:
add more than one atom at a time

File:

• trunk/addcmds.tcl (modified) (5 diffs, 3 props)

trunk/addcmds.tcl

@@ -633 +633 @@
     global expmap
 
-    # is there room for more atoms? Well, we will check this later
+    # is there room for more atoms? Well, we will check this someday
     if {$phase == ""} return
     if {[llength $phase] != 1} return
 
-    set np .newatoms
-    catch {destroy $np}
-    toplevel $np
-
-    grid [label $np.l1 -text "Adding atoms to phase #$phase"] \
-            -column 0 -row 0 -sticky w -columnspan 10
-#    grid [label $np.l2 -text "Phase title:"] -column 0 -row 1 
+    set top .newatoms
+    catch {destroy $top}
+    toplevel $top
+
+    grid [label $top.l1 -relief groove -bd 4 -anchor center\
+            -text "Adding atoms to phase #$phase"] \
+            -column 0 -row 0 \
+            -sticky we -columnspan 10
+#    grid [label $top.l2 -text "Phase title:"] -column 0 -row 1 
+    
+    grid [canvas $top.canvas \
+            -scrollregion {0 0 5000 500} -width 0 -height 250 \
+            -yscrollcommand "$top.scroll set"] \
+            -column 0 -row 2 -columnspan 4 -sticky nsew
+    grid columnconfigure $top 3 -weight 1
+    grid rowconfigure $top 2 -weight 1
+    grid rowconfigure $top 1 -pad 5
+    scrollbar $top.scroll \
+            -command "$top.canvas yview"
+    frame $top.canvas.fr
+    $top.canvas create window 0 0 -anchor nw -window $top.canvas.fr
+
+    set np $top.canvas.fr
+    set row 0
+    set col 0
+    foreach i {Atom\ntype Name x y z Occ Uiso Use} {
+        grid [label $np.l_${row}$i -text $i] -column [incr col] -row $row
+    }
+
+    global expgui
+    set expgui(SetAddAtomsScroll) 0
+    MakeAddAtomsRow $top
+    bind $top <Configure> "SetAddAtomsScroll $top"
+
+    grid rowconfigure .newatoms 3 -min 10
+    grid [button $top.b1 -text "Add Atoms"\
+            -command "addatom $phase $top"] -column 0 -row 4 -sticky w
+    bind $top <Return> "addatom $phase $top"
+    grid [button $top.b2 -text Cancel \
+            -command "destroy $top"] -column 1 -row 4 -sticky w
+
+    grid [button $top.b3 -text  "More atoms" \
+            -command "MakeAddAtomsRow $top"] -column 3 \
+            -columnspan 2 -row 4 -sticky e
+    
+    wm title $top "add new atom"
+
+    # grab focus, etc.
+    putontop $top
+
+    tkwait window $top
+
+    # fix focus...
+    afterputontop
+}
+
+proc MakeAddAtomsRow {top} {
+    set np $top.canvas.fr
+    set col -1
     set row 1
-    set col -1
-    foreach i {Atom\ntype Name x y z Occ Uiso} {
-        grid [label $np.l_${row}$i -text $i] -column [incr col] -row $row
-    }
-
-    set row 2
-    set col -1
+    # find an empty row
+    while {![catch {grid info $np.e${row}t}]} {incr row}
+    grid [label $np.e${row}num -text $row] -column [incr col]  -row $row
     grid [entry $np.e${row}t -width 5] -column [incr col]  -row $row
     grid [entry $np.e${row}n -width 8] -column [incr col]  -row $row
     foreach i {x y z o u} {
-        grid [entry $np.e${row}$i -width 12] -column [incr col] -row $row
-    }
+        grid [entry $np.e${row}$i -width 9] -column [incr col] -row $row
+    }
+    grid [checkbutton $np.e${row}use -variable expgui(UseAtom$row)] \
+            -column [incr col] -row $row
     # default occupancy
     $np.e${row}o delete 0 end
@@ -666 +716 @@
     $np.e${row}n delete 0 end
     $np.e${row}n insert end (default)
-
-    grid [button $np.b1 -text Add \
-            -command "addatom $phase $np"] -column 2 -row 3
-    bind $np <Return> "addatom $phase $np"
-    grid [button $np.b2 -text Cancel \
-            -command "destroy $np"] -column 3 -row 3
-    
-    wm title $np "add new atom"
-
-    # grab focus, etc.
-    putontop $np
-
-    tkwait window $np
-
-    # fix focus...
-    afterputontop
-}
-
-proc addatom {phase np} {
+    # use by default
+    $np.e${row}use select
+
+    SetAddAtomsScroll $top
+}
+
+proc SetAddAtomsScroll {top} {
+    global expgui
+    if $expgui(SetAddAtomsScroll) return
+    # prevent reentrance
+    set expgui(SetAddAtomsScroll) 1
+    update
+    set sizes [grid bbox $top.canvas.fr]
+    $top.canvas config -scrollregion $sizes -width [lindex $sizes 2]
+    # use the scroll for BIG atom lists
+    if {[lindex $sizes 3] > [winfo height $top.canvas]} {
+        grid $top.scroll -sticky ns -column 4 -row 2
+    } else {
+        grid forget $top.scroll 
+    }
+    update
+    set expgui(SetAddAtomsScroll) 0
+}
+
+proc addatom {phase top} {
     global expgui env
-    # validate the input
+    set np $top.canvas.fr
+    set row 0
+    # loop over the defined rows
     set err {}
-    set row 2
-    if {[set type [string trim [$np.e${row}t get]]] == ""} {
-        append err "  No atom type specified\n"
-    }
-
-    set name [string trim [$np.e${row}n get]]
-    if {$name == "(default)"} {set name "/"}
-    if {$name == ""} {set name "/"}
-
-    foreach i {x y z o u} n {x y z Occ Uiso} {
-        if {[set $i [string trim [$np.e${row}$i get]]] == ""} {
-            append err "  No value specified for $n\n"
-        } elseif {[catch {expr [set $i]}]} {
-            append err "  The value for $n is invalid\n"
-        }
-    }
-
+    set atomlist {}
+    while {![catch {grid info $np.e[incr row]t}]} {
+        if !{$expgui(UseAtom$row)} continue
+puts "Use $row"
+        # ignore blank entries
+        set line {}
+        foreach i {t x y z} {
+            append line [string trim [$np.e${row}$i get]]
+        }
+        if {$line == ""} continue
+        puts "not blank $row"
+        # validate the input
+        if {[set type [string trim [$np.e${row}t get]]] == ""} {
+            append err "  line $row: No atom type specified\n"
+        }
+        set name [string trim [$np.e${row}n get]]
+        if {$name == "(default)"} {set name "/"}
+        if {$name == ""} {set name "/"}
+        foreach i {x y z o u} n {x y z Occ Uiso} {
+            if {[set $i [string trim [$np.e${row}$i get]]] == ""} {
+                append err "  line $row: No value specified for $n\n"
+            } elseif {[catch {expr [set $i]}]} {
+                append err "  line $row: The value for $n is invalid\n"
+            }
+        }
+        lappend atomlist "$type $x $y $z $o $name I $u"
+    }   
     if {$err != ""} {
-        tk_dialog .phaseerr "Add Atom Error" \
-                "The following error(s) were found in your input:\n$err" \
-                error 0 "OK" 
+        MyMessageBox -icon warning -message "Note Errors:\n$err" -parent $top
         return
     }
-
-    # ok do it!
+    if {[llength $atomlist] == 0} {
+        MyMessageBox -icon warning -message "No atoms to load!" -parent $top
+        return
+    }
+    # ok add the atoms!
     set fp [open exptool.in w]
     puts $fp "A"
     puts $fp $phase
-    # for now, only one atom at a time
-    puts $fp 1
-    puts $fp "$type $x $y $z $o $name I $u"
+    # number of atoms
+    puts $fp [llength $atomlist]
+    foreach atomline $atomlist {
+        puts $fp $atomline
+    }
     close $fp
     # needed in UNIX
@@ -724 +795 @@
     # needed in Windows
     set env(GSAS) [file nativename $expgui(gsasdir)]
+
     global tcl_platform
     # Save the current exp file
@@ -744 +816 @@
     set out [read $fp]
     close $fp
-    destroy $np
+    destroy $top
     if {$errmsg != ""} {
         append errmsg "\n" $out
@@ -751 +823 @@
     }
     ShowBigMessage \
-                 $np \
+                 $top \
                  "Please review the result from adding the atom" \
                  $errmsg