Changeset 670

Timestamp:

Dec 4, 2009 5:10:03 PM (14 years ago)

Author:

toby

Message:

# on 2003/04/10 22:03:45, toby did:
change header
autostart GRWND option for Win-95/98/ME
warnings to run POWPREF
read customization from gsas.config as well as .gsas_config (no doc yet)
warn on directories with spaces
insert date in gsas.config & .gsas_config (use gsas.config on Win)
move a,b,c... to separate menu

File:

• trunk/expgui (modified) (13 diffs, 3 props)

trunk/expgui

@@ -1 @@
-#!/usr/local/bin/wish
+#!/bin/sh
+# the next line restarts this script using wish found in the path\
+exec wish "$0" "$@"
+# If this does not work, change the #!/usr/bin/wish line below
+# to reflect the actual wish location and delete all preceeding lines
+#
+# (delete here and above)
+#!/usr/bin/wish
 # $Id$
 set expgui(Revision) {$Revision$ $Date$}
@@ -70 +77 @@
 # default for autoexec load = off
 set expgui(autoexpload) 0
+# default for autostart GRWND = off
+set expgui(autoGRWND) 0
 # by default expgui is iconified while GENLES, etc runs
 set expgui(autoiconify) 1
@@ -88 +97 @@
 # default: keep current atoms when replacing a phase
 set expgui(DeleteAllAtoms) 0
+# flags for running POWPREF
+set expgui(needpowpref) 0
+set expgui(needpowpref_why) ""
 #=============================================================================
 #----------------------------------------------------------------
@@ -141 +153 @@
 # override options with locally defined values
 if {[catch {
-    foreach file [list \
-                      [file join $expgui(scriptdir) localconfig] \
-                      [file join ~ .gsas_config]] {
+    set filelist [list \
+            [file join $expgui(scriptdir) localconfig] \
+            [file join ~ .gsas_config] \
+            [file join ~ gsas.config]]
+    foreach file $filelist {
         if [file exists $file] {source $file}
     }
@@ -208 +222 @@
 #---------------------------------------------------------------------------
 if {$expgui(expfile) != ""} {
-   # is there a space in the name?
-    if {[string first " " $expgui(expfile)] != -1} {
+   # is there a space in the EXP name?
+    if {[string first " " [file tail $expgui(expfile)]] != -1} {
         update
         MyMessageBox -parent . -title "File Name Error" \
-                -message "File name $expgui(expfile) is invalid -- EXPGUI cannot process experiment files with spaces in the name" \
+                -message "File name \"$expgui(expfile)\" is invalid -- EXPGUI cannot process experiment files with spaces in the name" \
                 -icon warning -type Continue -default continue
 #               -helplink "expguierr.html OpenErr"
         set expgui(expfile) {}
+    } elseif {[string first " " [file dirname $expgui(expfile)]] != -1} {
+        update
+        MyMessageBox -parent . -title "Good luck..." \
+            -message "You are using a directory with a space in the name ([file dirname $expgui(expfile)]) -- You may encounter bugs in EXPGUI. Please e-mail them to Brian.Toby@NIST.gov so they can be fixed." \
+                -icon warning -type Continue -default continue
+#               -helplink "expguierr.html OpenErr"
     } elseif ![file exists $expgui(expfile)] {
         update
@@ -527 +547 @@
 ##############################################################################
 
-# save some of the global options in ~/.gsas_config
+# save some of the global options in ~/.gsas_config or ~/gsas.config in Windows
 proc SaveOptions {} {
     global expgui env tcl_platform graph peakinfo
-    set fp [open [file join ~ .gsas_config] a]
+    if {$tcl_platform(platform) == "windows"} {
+        set fp [open [file join ~ gsas.config] a]
+    } else {
+        set fp [open [file join ~ .gsas_config] a]
+    }
+
+    puts $fp "# saved options from [clock format [clock ticks]]"
     foreach item {archive asorttype hsorttype filesort disaglSeparateBox \
-            font autoexpload autoiconify autotick} {
+            font autoexpload autoiconify autotick autoGRWND} {
         puts $fp "set expgui($item) [list $expgui($item)]"
     }
@@ -861 +887 @@
         set entrycmd(phasename) ""
         set entryvar(phasename) ""
-        foreach ent {a b c alpha beta gamma cellref celldamp} {
+        foreach ent {a b c alpha beta gamma} {
+            set entryvar($ent) ""
+        }
+        foreach ent {cellref celldamp} {
             set entrycmd($ent) ""
             set entryvar($ent) ""
@@ -888 +917 @@
     set entryvar(phasename) [phaseinfo $crsPhase name]
     # cell parameters & flags
-    foreach ent {a b c alpha beta gamma cellref celldamp} {
+    foreach ent {a b c alpha beta gamma} {
+        set entryvar($ent) [phaseinfo $crsPhase $ent]
+    }
+    foreach ent {cellref celldamp} {
         set entrycmd($ent) "phaseinfo $crsPhase $ent"
         set entryvar($ent) [phaseinfo $crsPhase $ent]
-        # reset item to black
-        catch {$entrybox($ent) config -fg black}
     }
 
@@ -2008 +2038 @@
     SetPhaseFlag $hist $plist
     incr expgui(changed)
+    # set the powpref warning (1 = suggested)
+    set expgui(needpowpref) 2
+    set msg "Phase flags" 
+    if {[string first $msg $expgui(needpowpref_why)] == -1} {
+        append expgui(needpowpref_why) "\t$msg were changed\n"
+    }
     mapexp
 }
@@ -3206 +3242 @@
                 -column $col -row $row -padx 5 -sticky e
         incr col
-        grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
-            -column $col -row $row -padx 5
-        set entrybox($var) $frameLatt.e$var 
+        grid [label $frameLatt.e$var -textvariable entryvar($var) \
+                -relief groove -bd 2 -width 10] \
+                -column $col -row $row -padx 5
+#       grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
+#           -column $col -row $row -padx 5
+#       set entrybox($var) $frameLatt.e$var 
     }
     incr row
@@ -3218 +3257 @@
 
         incr col
-        grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
+        grid [label $frameLatt.e$var -textvariable entryvar($var)\
+                -relief groove -bd 2 -width 10] \
             -column $col -row $row -padx 5
-        set entrybox($var) $frameLatt.e$var 
+#       grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
+#           -column $col -row $row -padx 5
+#       set entrybox($var) $frameLatt.e$var 
     }
     
-    grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
-    grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
+    grid [button $frameLatt.edit -text "Edit\nCell" -command EditCellConstants] \
+            -column 8 -row 0 -rowspan 2 -padx 5 -sticky e
+    grid [label $frameLatt.lr -text "Refine Cell"] -column 9 -row 0 -padx 5 -sticky e
+    grid [label $frameLatt.ld -text "Cell damping"] -column 9 -row 1 -padx 5 -sticky e
     set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
-    grid $cFlag -column 9 -row 0 -padx 5 -sticky e
+    grid $cFlag -column 10 -row 0 -padx 5 -sticky e
     tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
-    grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
+    grid $frameLatt.om -column 10 -row 1 -padx 5 -sticky e
     grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
             -column 1 -row 0 -rowspan 2
@@ -3368 +3412 @@
     # resize in case the pane needs more space
     ResizeNotebook
+}
+
+# called to create a window for editing unit cell constants
+proc EditCellConstants {} {
+    global expgui entrybox
+    set spg [phaseinfo $expgui(curPhase) spacegroup]
+    set laueaxis [GetLaue $spg]
+    set vary ""
+    set equivL ""
+    set equivA ""
+    switch -exact $laueaxis {
+        1bar {set vary "a b c alpha beta gamma"}
+        2/ma {set vary "a b c alpha"}
+        2/mb {set vary "a b c beta"}
+        2/mc {set vary "a b c gamma"}
+        mmm  {set vary "a b c"}
+        4/m  -
+        4/mmm {set vary "a c"; set equivL "a b"} 
+        3barR     -
+        "3bar mR" {
+            set vary "a alpha"
+            set equivL "a b c"
+            set equivA "alpha beta gamma"
+        }
+        3bar    -
+        3barm1  -
+        3bar1m  -
+        6/m     -
+        6/mmm  {set vary "a c";set equivL "a b"}
+        "m 3"  -
+        m3m    {set vary a;set equivL "a b c"}
+        default {
+            MyMessageBox -parent . -title "Laue problem" \
+                    -message "Error processing Laue code: $laueaxis\nError in space group \"$spg\"?\nUnable to edit cell. Fix or use EXPEDT." \
+                    -icon warning -type OK -default ok \
+                    -helplink "expguierr.html BadLaue"
+        }
+    }
+    set row 0
+    set w .cell
+    toplevel $w -bg beige
+    wm title $w "Edit Cell Parameters" 
+#    bind $w <Key-F1> "MakeWWWHelp expgui3.html EditBackground"
+    bind $w <Return> "set expgui(temp) 1; destroy $w"
+    pack [label $w.l1 -bg yellow -anchor center -justify center \
+            -text "Edit unit cell parameters for phase #$expgui(curPhase)" \
+            ] -side top -expand yes -fill both
+    pack [label $w.l2 -bg beige -justify left \
+            -text "title: [phaseinfo $expgui(curPhase) name]\nSpace group: $spg\nLaue class: $laueaxis" \
+            ] -side top -expand yes -fill both
+    pack [frame $w.0 -bd 6 -relief groove  -bg beige \
+            ] -side top -expand yes -fill both
+    pack [frame $w.b -bg beige] -fill x -expand yes -side top
+    grid [button $w.b.2 -text Set -command "set expgui(temp) 1; destroy $w"] -row 0 -column 1
+    grid [button $w.b.3 -text Quit \
+            -command "set expgui(temp) 0; destroy $w"] -row 0 -column 2
+#    grid [button $w.b.help -text Help -bg yellow \
+#           -command "MakeWWWHelp expgui3.html EditBackground"] \
+#           -row 0 -column 4
+
+    global tmpvar
+    trace variable tmpvar w TestCellEdit
+    foreach ent {a b c alpha beta gamma} {
+        set tmpvar($ent) [phaseinfo $expgui(curPhase) $ent]
+    }
+
+    set frameLatt $w.0
+    foreach col {2 4 6} var {a b c} lbl {a b c} {
+        grid [label $frameLatt.l$var -text $lbl -bg beige] \
+                -column $col -row $row -padx 5 -sticky e
+        incr col
+        if {[lsearch $equivL $var] == -1} {
+            set v $var
+        } else {
+            set v [lindex $equivL 0]
+        }
+        if {[lsearch $vary $var] == -1} {
+            grid [label $frameLatt.e$var -textvariable tmpvar($v) \
+                    -width 10 -bg beige] \
+                    -column $col -row $row -padx 5
+        } else {
+            grid [entry $frameLatt.e$var -textvariable tmpvar($v) \
+                    -width 10] -column $col -row $row -padx 5
+            set entrybox($var) $frameLatt.e$var 
+        }
+    }
+    incr row
+    foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
+        grid [label $frameLatt.l$var -text $lbl -bg beige] \
+                -column $col -row $row -padx 5 -sticky e
+        set font [$frameLatt.l$var cget -font]
+        $frameLatt.l$var config -font "Symbol [lrange $font 1 end]"
+
+        incr col
+        if {[lsearch $equivA $var] == -1} {
+            set v $var
+        } else {
+            set v [lindex $equivA 0]
+        }
+        if {[lsearch $vary $var] == -1} {
+            grid [label $frameLatt.e$var -textvariable tmpvar($v)\
+                    -width 10 -bg beige] \
+                    -column $col -row $row -padx 5
+        } else {
+            grid [entry $frameLatt.e$var -textvariable tmpvar($v) \
+            -width 10] -column $col -row $row -padx 5
+            set entrybox($var) $frameLatt.e$var 
+        }
+    }
+    putontop $w
+    tkwait window $w
+    afterputontop
+    global entryvar
+    set change 0
+    if {$expgui(temp)} {
+        foreach var {a b c} {
+            if {[lsearch $equivL $var] == -1} {
+                set v $var
+            } else {
+                set v [lindex $equivL 0]
+            }
+            catch {
+                expr [set val $tmpvar($v)]
+                if {[phaseinfo $expgui(curPhase) $var] != $val} {
+                    phaseinfo $expgui(curPhase) $var set $val
+                    set entryvar($var) $val
+                    incr expgui(changed)                    
+                    set change 1
+                }
+            }
+        }
+        foreach var {alpha beta gamma} {
+            if {[lsearch $equivA $var] == -1} {
+                set v $var
+            } else {
+                set v [lindex $equivA 0]
+            }
+            catch {
+                expr [set val $tmpvar($v)]
+                if {[phaseinfo $expgui(curPhase) $var] != $val} {
+                    phaseinfo $expgui(curPhase) $var set $val
+                    set entryvar($var) $val
+                    incr expgui(changed)                    
+                    set change 1
+                }
+            }
+        }
+        if {$change} {
+            # set the powpref warning (1 = suggested)
+            if {$expgui(needpowpref) == 0} {set expgui(needpowpref) 1}
+            append expgui(needpowpref_why) "\tCell parameters were changed\n"
+        }
+    }
+    unset tmpvar
+}
+
+# highlight errors in unit cell constants
+proc TestCellEdit {var elem mode} {
+    global tmpvar entrybox 
+    if {[catch {expr $tmpvar($elem)} errmsg]} {
+        catch {$entrybox($elem) config -fg red}
+    } else {
+        catch {$entrybox($elem) config -fg black}
+    }
 }
 
@@ -3823 +4031 @@
     $expgui(fm).option.menu  add checkbutton -label "Iconify during GSAS" \
             -variable expgui(autoiconify)
+    if {$tcl_platform(platform) == "windows" && \
+            $tcl_platform(os) == "Windows 95"} {
+        $expgui(fm).option.menu  add checkbutton -label "Autostart GRWND" \
+                -variable expgui(autoGRWND)
+    }
 }
 $expgui(fm).option.menu add cascade -menu  $expgui(fm).option.menu.asort \