source: trunk/anomal.tcl @ 1219

# this should get moved elsewhere

proc anomalous_load {args} {
     catch {unset temp}
     # trap if more than one histogram is selected unless global mode
     if {$::expgui(globalmode) == 0 && [llength $::expgui(curhist)] > 1} {
         set ::expgui(curhist) [lindex $::expgui(curhist) 0]
     }

     set histnum $::expgui(curhist)
     set histlbl [lindex $::expmap(powderlist) $histnum]

     #determine list of histograms with the same wavelength
     set ::anom_list ""
     set ::anom_wave [histinfo $histlbl lam1]
     foreach test $::expmap(powderlist) {
             puts "[histinfo $test lam1] versus $::anom_wave"
             if {[histinfo $test lam1] == $::anom_wave} {
                lappend ::anom_list $test
             }
     if {[llength $::anom_list] == 0} return
     }
     #puts "this wavelength is found in histogram $::anom_list"

     set ::anom_atomcount 0
     set ::anom_abort [histinfo $histlbl anomff]

     if {[histinfo $histlbl anomff] == ""} {
        catch {destroy .anomwarning}
        set anomwarn .anomwarning
        toplevel $anomwarn
        wm title $anomwarn "Warning"
        wm geometry $anomwarn 400x200+10+10
        grid [frame $anomwarn.buz -bd 2 -relief groove] -column 0 -row 0 -sticky news
        grid [label $anomwarn.buz.text -text "No information in EXP file.  Run GENLES to generate\n\u0394f' and \u0394f\" data"]\
             -row 0 -column 0
        grid [button $anomwarn.buz.but -width 8 -text "continue" -command {destroy .anomwarning}] -column 0 -row 1
     }
     foreach temp [histinfo $histlbl anomff] {
             incr ::anom_atomcount
             set ::anom_lbl($::anom_atomcount) [lindex $temp 0]
             set ::anom_fp($::anom_atomcount) [lindex $temp 1]
             set ::anom_f2p($::anom_atomcount) [lindex $temp 2]
             puts "$::anom_lbl($::anom_atomcount) $::anom_fp($::anom_atomcount) $::anom_f2p($::anom_atomcount)"
     }
}

proc anomalous_editor {args} {
     if {$::anom_atomcount == 0} {return}
     catch {destroy .anomalous}
     set anomal .anomalous
     toplevel $anomal
     wm title $anomal "Anomalous Dispersion Terms"
     wm geometry $anomal 520x370+10+10
     putontop $anomal

     grid [frame $anomal.list -bd 2 -relief groove] -row 0 -column 0 -sticky news
     grid [label $anomal.list.lbl1 -text "The anomalous dispersion terms will be set for the following histograms\n with wavelength $::anom_wave angstroms:"] -row 0 -column 0
     grid [label $anomal.list.lbl1a -text "$::anom_list"] -row 1 -column 0

     grid [frame $anomal.con -bd 2 -relief groove] -row 5  -column 0 -sticky news
     grid [button $anomal.con.save  -width 8 -text "Save"  -command {anomalous_save}] -column 0 -row 4 -padx 3
     grid [button $anomal.con.abort -width 8 -text "abort" -command {anomalous_abort}] -column 1 -row 4 -padx 3

     grid [frame $anomal.warning -bd 2 -relief groove] -row 7 -column 0 -sticky news
     grid [label $anomal.warning.1 -anchor center -text "*Warning.  GSAS will only store \u0394f' and \u0394f\" values \n for the first nine atom types*"] \
          -columnspan 2 -column 0 -row 0 -pady 3
     grid [label $anomal.warning.2 -anchor center -text "Notice: \u0394f' and \u0394f\" fields are added after GENLES is run."] \
          -columnspan 2 -column 0 -row 1 -pady 3

     grid [frame $anomal.info -bd 2 -relief groove -width 600] -row 1 -column 0 -sticky ns

      set top $anomal.info
      set main $anomal.info

     grid [label $top.toplabel1  -text "Type" -width 8] -column 0 -row 0
     grid [label $top.toplabel2  -anchor center -text " \u0394f'" -width 8]  -column 2 -row 0
     grid [label $top.toplabel3  -anchor center -text " \u0394f\"" -width 8] -column 4 -row 0
     for {set i 1} {$i <= $::anom_atomcount} {incr i} {
         grid [label $main.atom_lbl($i) -text "$::anom_lbl($i)" -width 8] -column 0 -row $i
         grid [entry $main.atom_fp($i)  -textvariable ::anom_fp($i)  -width 8] -column 2 -row $i
         grid [entry $main.atom_f2p($i) -textvariable ::anom_f2p($i) -width 8] -column 4 -row $i
     }
}

proc anomalous_save {args} {
     set histnum $::expgui(curhist)
     puts $histnum
     set histlbl [lindex $::expmap(powderlist) $histnum]
     puts $histlbl
     set x ""
     set atomcount 0
     foreach atom [histinfo $histlbl anomff] {
             incr atomcount
             lappend x "$::anom_lbl($atomcount) $::anom_fp($atomcount) $::anom_f2p($atomcount)"
     }
     puts $x
     foreach test $::anom_list {
          histinfo $test anomff set $x
     }
     incr ::expgui(changed)
     afterputontop
     destroy .anomalous
}

proc anomalous_abort {args} {
     set histnum $::expgui(curhist)
     set histlbl [lindex $::expmap(powderlist) $histnum]
     histinfo $histlbl anomff set $::anom_abort
     afterputontop
     destroy .anomalous
}

proc Edit_Anomalous {args} {
     anomalous_load
     anomalous_editor
}