Changeset 1179

Timestamp:

Nov 9, 2011 10:33:23 PM (10 years ago)

Author:

toby

Message:

add TOPAS import to liveplot

File:

• branches/sandbox/liveplot (modified) (9 diffs)

branches/sandbox/liveplot

@@ -15 +15 @@
 set exitstat 0
 set expnam [file root [lindex $argv 0]]
-if {$expnam == ""} {catch {puts "error -- no experiment name"}; set exitstat 1}
+#if {$expnam == ""} {catch {puts "error -- no experiment name"}; set exitstat 1}
 if $exitstat {
     catch {puts "usage: $argv0 expnam \[hist #\] \[legend\]"}
@@ -252 +252 @@
     global expgui modtime expnam
     if [catch {
-        set modtime [file mtime $expnam.EXP]
         set loadtime [time {
-            if {$expgui(tcldump) == ""} {
+        set modtime 0
+            if {$::topasfile != ""} {
+                set p "TOPAS import"
+                readdata_topas $box
+            } elseif {$expgui(tcldump) == ""} {
+                set modtime [file mtime $expnam.EXP]
                 set p HSTDMP
                 readdata_hst $box
             } else {
+                set modtime [file mtime $expnam.EXP]
                 set p TCLDUMP
                 readdata_tcl $box
@@ -357 +362 @@
     calcvec set $calclist
     bckvec set $bcklist
-    diffvec set [obsvec - calcvec]
-    foreach vec {obsvec calcvec diffvec} {
+    #diffvec set [obsvec - calcvec]
+    foreach vec {obsvec calcvec} {
         # probably not needed with recent versions of BLT:
         global $vec
@@ -450 +455 @@
 }
 
+set ::topasfile ""
+proc get_topas_file {} {
+    set ::topasfile [tk_getOpenFile -title "Select Topas File" -parent . \
+                         -defaultextension .ascii \
+                         -filetypes {{"Topas ascii export" ".ascii"}}]
+    if {$::topasfile == ""} return
+    if {[catch {set input [open $::topasfile r]} errmsg]} {
+        MyMessageBox -parent . -title "Open Error" \
+            -message "An error occured trying to open file $::topasfile: $errmsg" \
+            -icon error -type Ignore -default ignore
+        set ::topasfile ""
+        return
+    }
+    close $input
+}
+
+proc readdata_topas {box} {
+    global expgui expnam reflns graph
+    global lasthst
+    global hst peakinfo xunits weightlist
+    #set file "liveplot_output.ascii"
+    if {$::topasfile == ""} return
+    if {[catch {set input [open $::topasfile r]} errmsg]} {
+        MyMessageBox -parent . -title "Open Error" \
+            -message "An error occured trying to open file $::topasfile: $errmsg" \
+            -icon error -type Ignore -default ignore
+        return
+    }
+
+    $box config -title "(TOPAS import in progress)"
+    update
+    # parse the output of a file
+    set lasthst $hst
+    # initalize arrays
+    set num -1
+    set xlist {}
+    set obslist {}
+    set calclist {}
+    set bcklist {}
+    set xunits {}
+    set weightlist {}
+    global refhkllist refphaselist refpos
+    set refhkllist {}
+    set refphaselist {} 
+    set refpos {}
+    # define a list of reflection positions for each phase
+    for {set i 1} {$i < 10} {incr i} {
+        set reflns($i) {}
+    }
+    set i 0
+    while {[gets $input line] >= 0} {
+        incr i
+        if {[string first ":" $line] != -1} continue
+        # run update every 50th line
+        if {$i > 50} {set i 0; update}
+        if {[llength $line] == 5} {
+            scan $line %e%e%e%e%e X d Iobs Icalc Isig
+            if {$Isig > 0} {
+                if {$graph(xunits) == 0} {
+                    lappend xlist $X
+                } elseif {$graph(xunits) == 1} {
+                    lappend xlist $d
+                } else {
+                    lappend xlist [expr {6.283185307179586 / $d}]
+                }
+                lappend obslist $Iobs
+                lappend calclist $Icalc
+                #lappend bcklist 0
+                lappend weightlist [expr {1./($Isig * $Isig)}]
+            }
+        } elseif {[llength $line] == 7} {
+            scan $line %e%e%e%e%e%e%d h k l m d tt ph
+            if {$graph(xunits) == 0} {
+                set x $tt
+            } elseif {$graph(xunits) == 1} {
+                set x $d
+            } else {
+                set x [expr {6.283185307179586 / $d}]
+            }
+            set ph [expr {int($ph)}]
+            lappend reflns($ph) $x
+            lappend refhkllist "$h,$k,$l"
+            lappend refphaselist $ph 
+            lappend refpos $x
+        } elseif {[llength $line] == 3} {
+            scan $line %e%e%e x d b
+            lappend bcklist $b
+        } else {
+            puts "unexpected input: $line"
+        }
+    }
+    close $input
+
+    if {$graph(xunits) == 0} {
+        set xunits "2-Theta"
+    } elseif {$graph(xunits) == 1} {
+        set xunits "d"
+    } else {
+        set xunits "Q"
+    }
+    foreach elem [$box element names] {
+        eval $box element config $elem $graph(ElementShowOption)
+    }
+    xvec set $xlist
+    obsvec set $obslist
+    calcvec set $calclist
+    bckvec set $bcklist
+    #diffvec set [obsvec - calcvec]
+    refposvec set $refpos
+    set ::expmap(phaselist) [lsort -unique $refphaselist]
+    RegisterPhases $::expmap(phaselist)
+    if {$expgui(autotick)} {
+        foreach i $::expmap(phaselist) {
+            set peakinfo(flag$i) 1
+        }
+    }
+    #wifdvec length 0
+    # if {$graph(chi2)} {
+    #     wifdvec set $WGT
+    #     wifdvec set [wifdvec * diffvec]
+    #     wifdvec set [wifdvec * diffvec]
+    #     # now do a running sum
+    #     set sum 0
+    #     set sumlist {}
+    #     foreach n [wifdvec range 0 end] {
+    #         set sum [expr {$sum + $n}]
+    #         lappend sumlist $sum
+    #     }
+    #     wifdvec set $sumlist
+    #     wifdvec set [wifdvec / [wifdvec length]]
+    # } elseif {$graph(OmCoS)} {
+    #     wifdvec set $WGT
+    #     wifdvec expr sqrt(wifdvec)
+    #     wifdvec set [wifdvec * diffvec]
+    # }
+    if $graph(backsub) {
+        obsvec set [obsvec - bckvec]
+        calcvec set [calcvec - bckvec]
+    }
+    foreach vec {obsvec calcvec} {
+        # probably not needed with recent versions of BLT:
+        global $vec
+        # sometimes needed for latest version of BLT (2.4z)
+        catch {$vec variable $vec}
+    }
+    ApplyMag
+    plotdata
+}
+
 proc SetTitle {} {
     set bx .title
@@ -574 +728 @@
     global obsvec calcvec diffvec bckvec
 
-    if {$graph(yunits) == 2} {
+    if {$graph(yunits) == 0} {
+        diffvec set [obsvec - calcvec]
+        $box element config 1 -label bckgr -line 1 -hide 0
+        $box element config 4 -label diff  -line 1 -hide 0
+    } elseif {$graph(yunits) == 1} {
+        diffvec set [obsvec - calcvec]
+        $box element config 1 -label bckgr -line 1 -hide 0
+        $box element config 4 -label diff  -line 1 -hide 0
+    } elseif {$graph(yunits) == 2} {
         set yunits {Intensity/sigma(I)}
         wifdvec set $::weightlist
@@ -2189 +2351 @@
 }
 
+.a.file.menu add command -label "Import from Topas" \
+    -command {get_topas_file; readdata .g}
+
 .a.file.menu add command -label Quit -command "destroy ."
 .a.file.menu.export add command -label "as .csv file" \
@@ -2398 +2563 @@
     .g marker create line -coords "$xl -Inf $xl Inf" -name mag[incr i]
     .g marker create text -coords "$xl Inf" -name mag[incr i] -text "x$ym" -anchor w
-    foreach vec {obsvec calcvec bckvec diffvec} {
+    foreach vec {obsvec calcvec bckvec} {
         global $vec
         $vec expr {$vec * ymult}
@@ -2747 +2912 @@
 }
 
-expload $expnam.EXP
-mapexp
-if {$expgui(autotick)} {
-    foreach i $::expmap(phaselist) {
-        set peakinfo(flag$i) 1
-    }
-}
-        
+if {$expnam != ""} {
+    expload $expnam.EXP
+    mapexp
+    if {$expgui(autotick)} {
+        foreach i $::expmap(phaselist) {
+            set peakinfo(flag$i) 1
+        }
+    }
+} else {
+    mapexp
+}
+
 # fill the histogram menu
 if {[llength $expmap(powderlist)] > 15} {
@@ -2805 +2974 @@
 }
 
-foreach num $expmap(phaselist) {
-    .a.file.menu.tick add checkbutton -label "Phase $num" \
+proc RegisterPhases {phaselist } { 
+    foreach num $phaselist {
+        .a.file.menu.tick add checkbutton -label "Phase $num" \
             -variable  peakinfo(flag$num) \
             -command plotdata
-    if {$program != "bkgedit"}  {
-        bind . <Key-$num> ".a.file.menu.tick invoke [.a.file.menu.tick index end]"
-    }
-    .a.options.menu.tick add command -label "Phase $num opts" \
+        if {$::program != "bkgedit"}  {
+            bind . <Key-$num> ".a.file.menu.tick invoke [.a.file.menu.tick index end]"
+        }
+        .a.options.menu.tick add command -label "Phase $num opts" \
             -command "minioptionsbox $num"
-}
+    }
+}
+RegisterPhases $expmap(phaselist)
 
 # N = load next histogram