mythos.energy.dna1.base_smoothing_functions =========================================== .. py:module:: mythos.energy.dna1.base_smoothing_functions .. autoapi-nested-parse:: Smoothing functions for the base functions in DNA1 model. functional forms from oxDNA paper https://ora.ox.ac.uk/objects/uuid:b2415bb2-7975-4f59-b5e2-8c022b4a3719/files/mdcac62bc9133143fc05070ed20048c50 # Section 2.4.1 Functions --------- .. autoapisummary:: mythos.energy.dna1.base_smoothing_functions._solve_f1_b mythos.energy.dna1.base_smoothing_functions._solve_f1_xc_star mythos.energy.dna1.base_smoothing_functions.get_f1_smoothing_params mythos.energy.dna1.base_smoothing_functions._solve_f2_b mythos.energy.dna1.base_smoothing_functions._solve_f2_xc_star mythos.energy.dna1.base_smoothing_functions.get_f2_smoothing_params mythos.energy.dna1.base_smoothing_functions._solve_f3_b mythos.energy.dna1.base_smoothing_functions._solve_f3_xc mythos.energy.dna1.base_smoothing_functions.get_f3_smoothing_params mythos.energy.dna1.base_smoothing_functions._solve_f4_b mythos.energy.dna1.base_smoothing_functions._solve_f4_xc mythos.energy.dna1.base_smoothing_functions.get_f4_smoothing_params mythos.energy.dna1.base_smoothing_functions._solve_f5_b mythos.energy.dna1.base_smoothing_functions._solve_f5_xc mythos.energy.dna1.base_smoothing_functions.get_f5_smoothing_params Module Contents --------------- .. py:function:: _solve_f1_b(x: mythos.utils.types.Scalar, a: mythos.utils.types.Scalar, x0: mythos.utils.types.Scalar, xc: mythos.utils.types.Scalar) -> mythos.utils.types.Scalar Solve for the smoothing parameter b in the f1 smoothing function. .. py:function:: _solve_f1_xc_star(x: mythos.utils.types.Scalar, a: mythos.utils.types.Scalar, x0: mythos.utils.types.Scalar, xc: mythos.utils.types.Scalar) -> mythos.utils.types.Scalar Solve for the smoothing parameter xc_star in the f1 smoothing function. .. py:function:: get_f1_smoothing_params(x0: mythos.utils.types.Scalar, a: mythos.utils.types.Scalar, xc: mythos.utils.types.Scalar, x_low: mythos.utils.types.Scalar, x_high: mythos.utils.types.Scalar) -> tuple[mythos.utils.types.Scalar, mythos.utils.types.Scalar, mythos.utils.types.Scalar, mythos.utils.types.Scalar] Get the smoothing parameters for the f1 smoothing function. .. py:function:: _solve_f2_b(x: mythos.utils.types.Scalar, x0: mythos.utils.types.Scalar, xc: mythos.utils.types.Scalar) -> mythos.utils.types.Scalar Solve for the smoothing parameter b in the f2 smoothing function. .. py:function:: _solve_f2_xc_star(x: mythos.utils.types.Scalar, x0: mythos.utils.types.Scalar, xc: mythos.utils.types.Scalar) -> mythos.utils.types.Scalar Solve for the smoothing parameter xc_star in the f2 smoothing function. .. py:function:: get_f2_smoothing_params(x0: mythos.utils.types.Scalar, xc: mythos.utils.types.Scalar, x_low: mythos.utils.types.Scalar, x_high: mythos.utils.types.Scalar) -> tuple[mythos.utils.types.Scalar, mythos.utils.types.Scalar, mythos.utils.types.Scalar, mythos.utils.types.Scalar] Get the smoothing parameters for the f2 smoothing function. .. py:function:: _solve_f3_b(x: mythos.utils.types.Scalar, sigma: mythos.utils.types.Scalar) -> mythos.utils.types.Scalar Solve for the smoothing parameter b in the f3 smoothing function. .. py:function:: _solve_f3_xc(x: mythos.utils.types.Scalar, sigma: mythos.utils.types.Scalar) -> mythos.utils.types.Scalar Solve for the smoothing parameter xc in the f3 smoothing function. .. py:function:: get_f3_smoothing_params(r_star: mythos.utils.types.Scalar, sigma: mythos.utils.types.Scalar) -> tuple[mythos.utils.types.Scalar, mythos.utils.types.Scalar] Get the smoothing parameters for the f3 smoothing function. .. py:function:: _solve_f4_b(x: mythos.utils.types.Scalar, x0: mythos.utils.types.Scalar, a: mythos.utils.types.Scalar) -> mythos.utils.types.Scalar Solve for the smoothing parameter b in the f4 smoothing function. .. py:function:: _solve_f4_xc(x: mythos.utils.types.Scalar, x0: mythos.utils.types.Scalar, a: mythos.utils.types.Scalar) -> mythos.utils.types.Scalar Solve for the smoothing parameter xc in the f4 smoothing function. .. py:function:: get_f4_smoothing_params(a: mythos.utils.types.Scalar, x0: mythos.utils.types.Scalar, delta_x_star: mythos.utils.types.Scalar) -> tuple[mythos.utils.types.Scalar, mythos.utils.types.Scalar] Get the smoothing parameters for the f4 smoothing function. .. py:function:: _solve_f5_b(x: mythos.utils.types.Scalar, x0: mythos.utils.types.Scalar, a: mythos.utils.types.Scalar) -> mythos.utils.types.Scalar Solve for the smoothing parameter b in the f5 smoothing function. .. py:function:: _solve_f5_xc(x: mythos.utils.types.Scalar, x0: mythos.utils.types.Scalar, a: mythos.utils.types.Scalar) -> mythos.utils.types.Scalar Solve for the smoothing parameter xc in the f5 smoothing function. .. py:function:: get_f5_smoothing_params(a: mythos.utils.types.Scalar, x_star: mythos.utils.types.Scalar) -> tuple[mythos.utils.types.Scalar, mythos.utils.types.Scalar] Get the smoothing parameters for the f5 smoothing function.