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Improve protocol solves #63

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martintb opened this issue Aug 8, 2024 · 0 comments

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martintb commented Aug 8, 2024

We can improve the reliability of the mass balance solver by replacing

mass_transfers,residuals = scipy.optimize.nnls(self.mass_fraction_matrix,self.target_component_masses)

with something along the lines of

from scipy.optimize import Bounds
lbs= []
for stock in self.stocks:
    lb = (stock.measure_out(PIPETTE_MINIMUM*units('ul')).mass).to('g').magnitude
    lbs.append(lb)
    
bounds = Bounds(lb=lbs,keep_feasible=False)
scipy.optimize.lsq_linear(self.mass_fraction_matrix,self.target_masses,bounds=bounds)

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