YellProgram / Yell

Yell is a program for diffuse scattering interpretation using the 3D-∆PDF refinement.
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variable declaration #26

Open k-eks opened 9 years ago

k-eks commented 9 years ago

There are some minor inconsistencies with variable declaration: Cell 5 5 5 90 90 90 b=1; #works fine b = 1; #parse error pointing on the previous line (manual mentions that no spaces are allowed) b=1 #(no semicolon) parse error pointing on the previous line

in contrast to RefineableVariables [ b=1; #works fine b = 1; #works fine b = 1 #works fine b=1 #works fine ]

aglie commented 9 years ago

Also error bars are allowed here

RefineableVariables [
b=1.01(3); #works fine
]

but not here:

Cell 5 5 5 90 90 90
b=1.01(3); #fails

Basically all of the hassle about the whitespace comes from the following:

Cu  1   0 1 -0.5 0   0 #six numbers
Cu  1   0 1-0.5  0   0 #five numbers

And I do not know how to reliably distinguish unary - and + from operators - and +.

k-eks commented 9 years ago

Aha! Thank you for the insight! Also, it's interesting with the error bars, although I hvae no idea why to use them at the moment...

aglie commented 9 years ago

Yell outputs them after refinement is finished. So they are allowed in the input to make a simple copy-paste possible.