File: hephaestus.demeter_conf

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## -*- config -*-
###########################################################################
## This configuration file is for Demeter version 0.9.21.
##
##                     Demeter is copyright (c) 2007-2016 Bruce Ravel
##                                   http://bruceravel.github.io/home
##
##                   Ifeffit is copyright (c) 1992-2016 Matt Newville
##                                https://github.com/newville/ifeffit
##
##	  The latest version of Demeter can always be found at
##               http://bruceravel.github.io/demeter/
##
## -------------------------------------------------------------------
##     All rights reserved. This program is free software; you can
##     redistribute it and/or modify it provided that the above notice
##     of copyright, these terms of use, and the disclaimer of
##     warranty below appear in the source code and documentation, and
##     that none of the names of Argonne National Laboratory, The
##     University of Chicago, University of Washington, or the authors
##     appear in advertising or endorsement of works derived from this
##     software without specific prior written permission from all
##     parties.
##
##     THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
##     EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES
##     OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
##     NONINFRINGEMENT.  IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT
##     HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY,
##     WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
##     FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR
##     OTHER DEALINGS IN THIS SOFTWARE.
## -------------------------------------------------------------------
###########################################################################


## This file contains the Hephaestus configuration group


######################################################################
section=hephaestus
section_description
  These variables determine the behavior of Hephaestus.

variable=resource
type=list
options=Elam McMaster Shaltout Henke Chantler CL
default=Elam
description
  The data resource to use for most calculations.  Note that the CL
  resource is always used in the F1F2 utility while the edge and line
  energies from the Elam resource are always used in the edge finder,
  line finder and absorption utilities.

variable=enable_beamline
type=boolean
onvalue=1
offvalue=0
default=false
restart=1
description
  Enable or disable beamline customizations.

variable=beamline_name
type=string
default=BL
restart=1
description
  The name of your beamline.  Keep it short!  This has to fit on the
  button.

variable=beamline_emin
type=real
default=4500
units=eV
description
  The lower bound of the energy range of yor beamline.

variable=beamline_emax
type=real
default=23000
units=eV
description
  The upper bound of the energy range of yor beamline.

variable=beamline_show_m
type=boolean
onvalue=1
offvalue=0
default=false
restart=1
description
  Display the button for beamline customization for M edges



# variable=units
# type=list
# options=energy wavelength
# default=energy
# description
#   This specifies the default units to use to present energy values.

variable=xsec
type=list
options=full photo coherent incoherent
default=full
description
  This sets the default cross-section to use in all calculations.  The
  options are to use the photoelectric, coherent, or incoherent
  cross-section or the sum of all three.  A change in this parameter
  will take effect the next time a calculation is performed.

variable=filter_width
type=real
default=30
units=energy
description
  This is the Gaussian linewidth to use in filter plots.

variable=filter_offset
type=positive integer
default=3
description
  This parameter is used to determine appropriate filter for an L3
  edge -- a filter must have its K edge (filter_offset*filter_width)
  above the Lalpha1 line of the absorber 

variable=formula_energy
type=absolute energy
default=9000
units=energy
restart=1
description
  The initial energy value in the Formulas utility

variable=stepwidth
type=real
default=0.001
description
  This parameter sets the width in energy above and below an edge
  which is used to compute an edge step in the formulas tool in
  Hephaestus.  If the value is any number greater than or equal to 1,
  then that is used as the energy width.  So if the value is 50, then
  the step will be computed by comaring the absorption at +/- 50 eV.
  If the value is less than 1, then it will be multiplied by the
  specified energy to yield the width.  The default value of 0.001
  says that the width is 1% of the specified energy.  For Fe K at
  7112, the width will be 7.112 eV.  If it is less than 0, it will be
  reset to 0.001.

variable=ion_energy
type=absolute energy
default=9000
units=energy
restart=1
description
  The initial energy value in the Ion Chambers utility

variable=ion_length
type=list
options=3.3 6.6 10 15 30 45 60
default=15
units=cm
restart=1
description
  The intial value for chamber length in the Ion Chambers utility

variable=ion_custom
type=real
default=20
units=cm
restart=1
description
  The initial value for the custom ion chamber length in the Ion
  Chambers utility

variable=ion_gas1
type=list
options=He N2 Ne Ar Kr Xe
default=N2
restart=1
description
  The intial type for the primary ion chamber gas.  The initial
  secondary gas is always He.

variable=ion_pressure
type=positive integer
default=760
maxint=2300
units=torr
restart=1
description
  The initial pressure for the Ion Chambers utility in torr.  760 torr
  is 1013.25 millibars or 1 atmosphere.  2300 torr is 3066.41
  millibars or 3.02 atmospheres.  Conversions between units within
  hephaestus will be rounded to the nearest integer for use with the
  slider widget.

## atm would be nice, but Wx::Slider takes an integer line size, so
## not enough granularity
variable=ion_pressureunits
type=list
options=torr mbar
default=torr
maxint=2300
description
  The units of pressure in the Ion Chambers utility.  760 torr is
  1013.25 millibars or 1 atmosphere.  2300 torr is 3066.41 millibars
  or 3.02 atmospheres.  Conversions between units within hephaestus
  will be rounded to the nearest integer for use with the slider
  widget.

variable=ion_gain
type=positive integer
default=8
minint=4
maxint=12
restart=1
description
  The initial value of the gain in the Ion Chambers utility

variable=find_energy
type=absolute energy
default=8978
units=energy
restart=1
description
  The energy value in the Edge Finder utility

variable=find_harmonic
type=positive integer
minint=1
maxint=3
default=1
restart=1
description
  The initial choice for harmonic in the Edge Finder utility

variable=line_energy
type=absolute energy
default=8045
units=energy
restart=1
description
  The energy value in the Line Finder utility

variable=f1f2_emin
type=absolute energy
default=3000
units=energy
restart=1
description
  The intial value for the minimum energy in the Anomalous Scattering utility

variable=f1f2_emax
type=absolute energy
default=7000
units=energy
restart=1
description
  The intial value for the maximum energy in the Anomalous Scattering utility

variable=f1f2_grid
type=positive integer
default=5
units=energy
restart=1
description
  The intial value for the energy grid size in the Anomalous Scattering utility

variable=standards_emin
type=absolute energy
default=-30
units=energy
restart=1
description
  The intial value for the lower energy of a standards plot.

variable=standards_emax
type=absolute energy
default=100
units=energy
restart=1
description
  The intial value for the upper energy of a standards plot.