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quick_fit_profile doesn't activate 2ThetaDispl & 2ThetaTransp #83

@clemisch

Description

@clemisch

Problem

The pyobjcryst helper function quick_fit_profile has a parameter displ_transl to activate refinement of sample displacement / transparency, respectively (in Bragg-Brentano geometry, I guess).

Problem: if displ_transl=True, 2ThetaDispl and 2ThetaTransp are both set "fixed". So they are not refined. For all other types of parameters, if their according argument of quick_fit_profile is True, their "fixed" state is set to False such that they're refined.

See current source code:

        if displ_transl:
            lsq.SetParIsFixed("2ThetaDispl", True)
            lsq.SetParIsFixed("2ThetaTransp", True)

Proposed solution

Change code to

        if displ_transl:
            lsq.SetParIsFixed("2ThetaDispl", False)
            lsq.SetParIsFixed("2ThetaTransp", False)

Remark

Is it even practically viable to fit both at once?

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