Parameter types
There are 9 types of GDS parameetrs, that is, 9 possible values for the
gds attribute. Several of these will be
familiar to users of IFEFFIT and ARTEMIS, a few are newly
introduced by DEMETER.
-
guess
-
A parameter which is varied in a fit.
-
def
-
A parameter whose math expression is continuously updated throughout
the fit.
-
set
-
A parameter which is evaluated at the beginning of the fit and remains
unchanged after that.
-
lguess
-
A locally guessed parameter. In a multiple data set fit, this will be
expanded to one guess parameter per data set. See
the section on local guess parameters
for more details.
-
restrain
-
A restrain parameter is defined in an IFEFFIT script as a def
parameter but is used as a restraint in the call to IFEFFIT's
feffit
command. In a multiple data set fit, all restraints are defined in
the first call to the feffit command.
-
skip
-
A skip is a parameter that is defined but then ignored. Setting a
variable to a skip is useful in a GUI as a way of
“commenting out” a parameter without
removing it from the fitting project.
-
after
-
This is like a def parameter, but is not used in the fitting model and
only evaluated when the fit finishes. It is then reported in the log
file.
-
penalty
-
This is like a def parameter, but is used as a user-defined penalty to
the happiness parameter,
which is evaluated at the end of the fit. This is not currently implemented.
-
merge
-
A merge is the type given to a parameter that cannot be unambiguously
resolved when two Fit objects are merged into a single Fit object. A
fit cannot proceed until all merge parameters are resolved. It is
unlikely that a variable would ever be declared as a merge by a user,
although if a user script makes use of any of DEMETER's (as yet
unimplemented) project merging features, it will certainly be
necessary to resolve a merge parameter by renaming it globally and
resetting the gds attribute.
Penalty and merge types are currently unimplemented.