[1963] | 1 | # ---------------------------------------------------------------------- |
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| 2 | # This is a modifed version of the Tcl app-fermi example which has been |
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| 3 | # purposely broken for testing the Rappture regression testing tool. |
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| 4 | # Incorrect results are given whenever temperature is set to 300K (room |
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| 5 | # temperature), and an error is thrown when the temperature is 4.2K |
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| 6 | # AND the energy level is 1eV. |
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| 7 | # ====================================================================== |
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| 8 | # AUTHOR: Ben Rafferty, Purdue University |
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[3177] | 9 | # Copyright (c) 2004-2012 HUBzero Foundation, LLC |
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[1963] | 10 | # |
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| 11 | # See the file "license.terms" for information on usage and |
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| 12 | # redistribution of this file, and for a DISCLAIMER OF ALL WARRANTIES. |
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| 13 | # ====================================================================== |
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| 14 | package require Rappture |
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| 15 | |
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| 16 | # open the XML file containing the run parameters |
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| 17 | set driver [Rappture::library [lindex $argv 0]] |
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| 18 | |
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| 19 | set T [$driver get input.(temperature).current] |
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| 20 | set T [Rappture::Units::convert $T -to K -units off] |
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| 21 | set Ef [$driver get input.(Ef).current] |
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| 22 | set Ef [Rappture::Units::convert $Ef -to eV -units off] |
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| 23 | |
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| 24 | set kT [expr {8.61734e-5 * $T}] |
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| 25 | set Emin [expr {$Ef - 10*$kT}] |
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| 26 | set Emax [expr {$Ef + 10*$kT}] |
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| 27 | |
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| 28 | set E $Emin |
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| 29 | set dE [expr {0.005*($Emax-$Emin)}] |
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| 30 | |
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[2077] | 31 | # take a while and give some output along the way |
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[2087] | 32 | Rappture::Utils::progress 0 -mesg "Starting..." |
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[2077] | 33 | puts "Taking a while to run..." |
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[2087] | 34 | after 1000 |
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[2077] | 35 | puts "making some progress" |
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[2136] | 36 | after 2000 |
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[2077] | 37 | puts "done" |
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[2087] | 38 | Rappture::Utils::progress 10 -mesg "Starting, for real now." |
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| 39 | after 1000 |
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[2077] | 40 | |
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[1963] | 41 | # Label output graph with title, x-axis label, |
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| 42 | # y-axis lable, and y-axis units |
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| 43 | $driver put -append no output.curve(f12).about.label "Fermi-Dirac Factor" |
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| 44 | $driver put -append no output.curve(f12).xaxis.label "Fermi-Dirac Factor" |
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| 45 | $driver put -append no output.curve(f12).yaxis.label "Energy" |
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| 46 | $driver put -append no output.curve(f12).yaxis.units "eV" |
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| 47 | |
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| 48 | # Error if T = 4.2 and Ef = 1eV |
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| 49 | if {$T == 4.2 && $Ef == 1} { |
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| 50 | error "Purposely throwing an error for this input combination." |
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| 51 | } |
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| 52 | |
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| 53 | # Produce bad results whenever T = 300K |
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| 54 | if {$T == 300} { |
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| 55 | set kT [expr $kT * 2] |
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| 56 | } |
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| 57 | |
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| 58 | while {$E < $Emax} { |
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| 59 | set f [expr {1.0/(1.0 + exp(($E - $Ef)/$kT))}] |
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| 60 | set progress [expr {(($E - $Emin)/($Emax - $Emin)*100)}] |
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| 61 | Rappture::Utils::progress $progress -mesg "Iterating" |
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| 62 | $driver put -append yes output.curve(f12).component.xy "$f $E\n" |
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| 63 | set E [expr {$E + $dE}] |
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| 64 | } |
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| 65 | |
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| 66 | # save the updated XML describing the run... |
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| 67 | Rappture::result $driver |
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| 68 | exit 0 |
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