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parameter_dependences [topas wiki]

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parameter_dependences [2015/09/03 12:43] – created johnsoevansparameter_dependences [2022/11/03 15:08] (current) – external edit 127.0.0.1
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 +====== Parameter Dependences ======
 +For complex input files it can be difficult to track which prms feed into individual objects.  For example in a distortion mode or rigid body refinement what feeds into e.g. the x coordinate of a given site.  The command below helps.  N.B. it may soon change its name to "out_dependences_for".
 +
 +      out_dependents_for $user_string  $object_name
 +
 +The idea is to tag objects and to then output independent parameters associated with the tagged object. For example, in a rigid body:
 +
 +      rigid
 +            point_for_site Zr_1 ua = Zr_1_x; ub = Zr_1_y; uc = Zr_1_z;
 +            point_for_site O1_1 ua = O1_1_x; ub = O1_1_y; uc = O1_1_z;
 +            point_for_site O1_2 ua = O1_2_x; ub = O1_2_y; uc = O1_2_z;
 +            point_for_site O1_3 ua = O1_3_x; ub = O1_3_y; uc = O1_3_z;
 +            Rotate_about_points( =Zr_1_angdeg;, Zr_1, Q_Zr_1)
 +            out_dependents_for tag_1 rigid
 +
 +we get in the standard output (i.e. the fit window) a list of independent refined parameters associated with the rigid body; ie.
 +
 +       out_dependents_for tag_1 rigid
 +       Object name followed by prm name
 +              prm_10   a4
 +              prm_10   a5
 +              prm_10   a6
 +              prm_10   bnr1
 +              prm_10   bnr2
 +              prm_10   bnr3
 +              prm_10   r3
 +              prm_10   r2
 +              prm_10   r1
 +
 +
 +Note, the object tagged in this case is the rigid body defined just before out_dependents_for. 
 +
 +There are many $object_name’s that are valid.  Basically all parameters can be tagged, e.g.
 +
 +            x, y, z, occ, beq, u11, u22, u33, u12, u13m u23, a, b, c, al, be, ga, etc…
 +
 +In addition the following non-parameters can be tagged:
 +
 +            site, rigid, sites_restrain, lat_prms, gauss_conv,  lor_conv,  all_scale_pks, th2_offset_eqn
 +
 +out_dependents_for works for ‘prm’ and ‘local’. Thus, if we had:
 +
 +            prm  O1_3_dy     = +  0.02473*a4 +  0.01749*a5 -  0.03029*a6;:  0.58861`
 +            out_dependents_for O1_3_dy prm
 +
 +Then the output would be:
 +
 +        out_dependents_for O1_3_dy prm
 +        Object name followed by prm name
 +                prm_10   a4
 +                prm_10   a5
 +                prm_10   a6
 +