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MonteCarloWithLocalOptimization does not pass ScoringFunction to local optimizer
Consider the following:
lopt = IMP.core.ConjugateGradients(model)
opt = IMP.core.MonteCarloWithLocalOptimization(lopt, 1000)
opt.set_scoring_function(sf)
opt.optimize(100)
The local optimizer lopt
will actually use model
's implicit scoring function by default. In most cases, it should probably default to using the same as opt
.