For loops when doing Pawley

lnaglecocco

If I have a Topas input file with multiple phases and a peak profile refined against a standard, I set up code like this:

	for strs { 
		TCHZ_Peak_Type(
		!pku,-0.0108701655,
		!pkv,0.132954669,
		!pkw,0.00260735668,
		!pkz,-0.0162646308,
		!pky,0.000100830038,
		!pkx,0.0101703901)
	}

However, if I set one of these phases to refine in Pawley, the for loop does not cover it. Is there a way I can modify the for loop so that it covers the Pawley-refined phases too? Or alternatively, can I define another for loop such as for hkl_Iss so that it will loop over phases refined by the Pawley approach?

lnaglecocco

As a solution I coded this:

		prm !pku -0.0108701655
		prm !pkv 0.132954669
		prm !pkw 0.00260735668
		prm !pkz -0.0162646308
		prm !pky 0.000100830038
		prm !pkx 0.0101703901

And I put this in each str or hkl_Is section:

TCHZ_Peak_Type( pku_local,=pku;, pkv_local,=pkv;,pkw_local,=pkw;,pkz_local,=pkz;, pky_local,=pky;,pkx_local,=pkx;)

I still would be interested to hear if there's a better way

rowlesmr

for strs only does structures, and a Pawley phase is an hkl-phase. For that you need a for hkl_Iss, (or whatever it actually is)

johnsoevans

I always forgewt this syntax and go back to this post. I've put the infor on the wiki so it's more searchable. Search there for e.g. "looping" or "for strs" and you should find the page.