maillooping the optimization in full_analysis.py


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Posted by Douglas Kojetin on June 16, 2007 - 14:51:
Hi All,

Is it possible to edit full_analysis.py so the optimization of MII to MV (self.round > 0) is done automatically by looping until convergence? I tried to do this by modifying the following in convergence() [near the end]:

"""
        # Final print out.
        ##################

        print "\nConvergence:"
        if chi2_converged and models_converged and params_converged:
            print "    [ Yes ]"
            return 1
        else:
            print "    [ No ]"
            return 0
"""

then modifying __init__(), at the end of the "elif DIFF_MODEL == 'sphere' or DIFF_MODEL == 'prolate' or DIFF_MODEL == 'oblate' or DIFF_MODEL == 'ellipsoid':" statement:

"""
                # Test for convergence.
                test=self.convergence(run=name)

                if test == 0:
                    __init__(self.relax)
                    #Main(self.relax)
"""

but it did not work properly. I think the problem has something to do with the call to __init__() or Main(). I'll see if I can dig up the error reported by relax.

Thanks,
Doug



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