- ...1
- The name was originally intended to stand for
INTERACTIVE FEFFIT, but I sort of like the simple
self-declarative nature of the name as well as the literary allusion to
I, Claudius and I, Robot. It could also be
interpreted as the answer to the question, "How do you analyze your
XAFS data?". It is in no way intended as a subliminal insertion of
FEFF into that other Chicago technological institute known
to do some XAFS.
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- ...2
- If you have some programming
experience, it might help to think of Paths as Objects: A complex data
structure which you cannot access directly, but only through the
supplied methods. In this view, path() defines and creates a path
object, and the commands show(), ff2chi() and
feffit(), the functions debye() and eins(), and
special variables like reff and degen access this
data.
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- ...3
- That is, it's not
storing the text string for the formulas and re-using them - that
would be far too inefficient for data modeling. Instead, IFEFFIT
parses and converts the formula into a sort of `byte-code' for easy
re-evaluation. The sync() command inspects this `byte-code'
for each formula to determine the simplest order of re-evaluation of
the variables so that all the inter-dependencies are satisfied
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- ...4
- Actually, IFEFFIT violates
standard math precedence by incorrectly associating exponentiation from
left to right instead of right to left. That is, it evaluates
4**3**2 as 4096 (= (4**3)**2) instead of the correct value of
262144 (= 4**(3**2)). Fixing this is not high on the priority list.
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- ...5
- Note that all the Fourier transform
parameters for spline() are stored in variables that end with
_spl.
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- ...
parentheses6
- Actually, up to the first unprotected comma or right
parentheses. A comma or parentheses can be protected by enclosing it in
pairs of parentheses, double quotes, or curly braces.
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- ... command.7
- These two variations of
plot(text='300 K Data', text_x=7025, text_y=0.2) and
plot_text(x=7025,y=0.2,text='300 K Data') really are
equivalent and can be mixed.
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- ...8
- IFEFFIT requires version 5 or higher of FEFF.
FEFF7 or higher is recommended for use with IFEFFIT.
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- ...9
- For those of you with experience with FEFFIT, the
concept of the ``local'' variable does not exist in IFEFFIT. All
variables are truly global.
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