# The frame order models to use. MODELS = [ 'rigid', 'rotor', 'iso cone', 'pseudo-ellipse', 'iso cone, torsionless', 'pseudo-ellipse, torsionless', 'double rotor' ] # The number of Monte Carlo simulations to be used for error analysis at the end of the protocol. MC_NUM = 10 # Rigid model optimisation setup. OPT_RIGID = Optimisation_settings() OPT_RIGID.add_grid(inc=21, zoom=0) OPT_RIGID.add_grid(inc=21, zoom=1) OPT_RIGID.add_grid(inc=21, zoom=2) OPT_RIGID.add_grid(inc=21, zoom=3) OPT_RIGID.add_min(min_algor='simplex') # PCS subset optimisation setup. OPT_SUBSET = Optimisation_settings() OPT_SUBSET.add_grid(inc=11, zoom=0, sobol_max_points=100) OPT_SUBSET.add_grid(inc=11, zoom=1, sobol_max_points=100) OPT_SUBSET.add_grid(inc=11, zoom=2, sobol_max_points=100) OPT_SUBSET.add_min(min_algor='simplex', func_tol=1e-2, sobol_max_points=100) # Full data set optimisation setup. OPT_FULL = Optimisation_settings()
# The frame order models to use. MODELS = [ 'rigid', 'rotor', 'iso cone', 'pseudo-ellipse', 'iso cone, torsionless', 'pseudo-ellipse, torsionless', 'double rotor' ] # The number of Monte Carlo simulations to be used for error analysis at the end of the protocol. MC_NUM = 10 # Full data set optimisation setup. OPT_FULL = Optimisation_settings() OPT_FULL.add_min(min_algor='simplex', func_tol=1e-4, quad_int=True) # Monte Carlo simulation optimisation setup. OPT_MC = Optimisation_settings() OPT_MC.add_min(min_algor='simplex', func_tol=1e-3, quad_int=True) # Set up the base data pipes. ############################# # The data pipe bundle to group all data pipes. PIPE_BUNDLE = "Frame Order (%s)" % asctime(localtime()) # Execution.
'rigid', 'free rotor', 'rotor', 'iso cone, torsionless', 'iso cone, free rotor', 'iso cone', 'pseudo-ellipse, torsionless', 'pseudo-ellipse', 'double rotor' ] # The number of Monte Carlo simulations to be used for error analysis at the end of the protocol. MC_NUM = 3 # Rigid model optimisation setup. OPT_RIGID = Optimisation_settings() OPT_RIGID.add_grid(inc=8, zoom=0) OPT_RIGID.add_min(min_algor='simplex', func_tol=1e-2, max_iter=20) # PCS subset optimisation setup. OPT_SUBSET = Optimisation_settings() OPT_SUBSET.add_grid(inc=2, sobol_max_points=1) OPT_SUBSET.add_min(min_algor='simplex', func_tol=1e-2, max_iter=5, sobol_max_points=1) # Full data set optimisation setup. OPT_FULL = Optimisation_settings() OPT_FULL.add_grid(inc=2, sobol_max_points=1) OPT_FULL.add_min(min_algor='simplex', func_tol=1e-2, max_iter=5, sobol_max_points=1) # Monte Carlo simulation optimisation setup. OPT_MC = Optimisation_settings()
'rigid', 'free rotor', 'rotor', 'iso cone, torsionless', 'iso cone, free rotor', 'iso cone', 'pseudo-ellipse, torsionless', 'pseudo-ellipse', 'double rotor' ] # The number of Monte Carlo simulations to be used for error analysis at the end of the protocol. MC_NUM = 100 # Rigid model optimisation setup. OPT_RIGID = Optimisation_settings() OPT_RIGID.add_grid(inc=11, zoom=0, num_int_pts=50) OPT_RIGID.add_grid(inc=11, zoom=1, num_int_pts=50) OPT_RIGID.add_grid(inc=11, zoom=2, num_int_pts=50) OPT_RIGID.add_min(min_algor='simplex', func_tol=1e-2) # PCS subset optimisation setup. OPT_SUBSET = Optimisation_settings() OPT_SUBSET.add_grid(inc=11, num_int_pts=100) OPT_SUBSET.add_min(min_algor='simplex', func_tol=1e-2, num_int_pts=100) # Full data set optimisation setup. OPT_FULL = Optimisation_settings() OPT_FULL.add_grid(inc=11, num_int_pts=100) OPT_FULL.add_min(min_algor='simplex', func_tol=1e-2, num_int_pts=100) OPT_FULL.add_min(min_algor='simplex', func_tol=1e-3, num_int_pts=1000)
from auto_analyses.frame_order import Frame_order_analysis, Optimisation_settings # Analysis variables. ##################### # The frame order models to use. MODELS = [ 'rigid', 'rotor', 'iso cone', 'pseudo-ellipse', 'iso cone, torsionless', 'pseudo-ellipse, torsionless', 'double rotor' ] # The number of Monte Carlo simulations to be used for error analysis at the end of the protocol. MC_NUM = 10 # Full data set optimisation setup. OPT_FULL = Optimisation_settings() OPT_FULL.add_min(min_algor='simplex', func_tol=1e-4, quad_int=True) # Monte Carlo simulation optimisation setup. OPT_MC = Optimisation_settings() OPT_MC.add_min(min_algor='simplex', func_tol=1e-3, quad_int=True) # Set up the base data pipes. ############################# # The data pipe bundle to group all data pipes. PIPE_BUNDLE = "Frame Order (%s)" % asctime(localtime()) # Execution. ############
# Analysis variables. ##################### # The frame order models to use. MODELS = [ 'rigid', 'free rotor', 'rotor', 'iso cone, torsionless', 'iso cone, free rotor', 'iso cone', 'pseudo-ellipse, torsionless', 'pseudo-ellipse', 'double rotor' ] # The number of Monte Carlo simulations to be used for error analysis at the end of the protocol. MC_NUM = 3 # Rigid model optimisation setup. OPT_RIGID = Optimisation_settings() OPT_RIGID.add_grid(inc=8, zoom=0) OPT_RIGID.add_min(min_algor='simplex', func_tol=1e-2, max_iter=20) # PCS subset optimisation setup. OPT_SUBSET = Optimisation_settings() OPT_SUBSET.add_grid(inc=2, sobol_max_points=1) OPT_SUBSET.add_min(min_algor='simplex', func_tol=1e-2, max_iter=5, sobol_max_points=1) # Full data set optimisation setup. OPT_FULL = Optimisation_settings() OPT_FULL.add_grid(inc=2, sobol_max_points=1) OPT_FULL.add_min(min_algor='simplex',