jax_dna.energy.dna1.base_smoothing_functions ============================================ .. py:module:: jax_dna.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:: jax_dna.energy.dna1.base_smoothing_functions._solve_f1_b jax_dna.energy.dna1.base_smoothing_functions._solve_f1_xc_star jax_dna.energy.dna1.base_smoothing_functions.get_f1_smoothing_params jax_dna.energy.dna1.base_smoothing_functions._solve_f2_b jax_dna.energy.dna1.base_smoothing_functions._solve_f2_xc_star jax_dna.energy.dna1.base_smoothing_functions.get_f2_smoothing_params jax_dna.energy.dna1.base_smoothing_functions._solve_f3_b jax_dna.energy.dna1.base_smoothing_functions._solve_f3_xc jax_dna.energy.dna1.base_smoothing_functions.get_f3_smoothing_params jax_dna.energy.dna1.base_smoothing_functions._solve_f4_b jax_dna.energy.dna1.base_smoothing_functions._solve_f4_xc jax_dna.energy.dna1.base_smoothing_functions.get_f4_smoothing_params jax_dna.energy.dna1.base_smoothing_functions._solve_f5_b jax_dna.energy.dna1.base_smoothing_functions._solve_f5_xc jax_dna.energy.dna1.base_smoothing_functions.get_f5_smoothing_params Module Contents --------------- .. py:function:: _solve_f1_b(x: jax_dna.utils.types.Scalar, a: jax_dna.utils.types.Scalar, x0: jax_dna.utils.types.Scalar, xc: jax_dna.utils.types.Scalar) -> jax_dna.utils.types.Scalar Solve for the smoothing parameter b in the f1 smoothing function. .. py:function:: _solve_f1_xc_star(x: jax_dna.utils.types.Scalar, a: jax_dna.utils.types.Scalar, x0: jax_dna.utils.types.Scalar, xc: jax_dna.utils.types.Scalar) -> jax_dna.utils.types.Scalar Solve for the smoothing parameter xc_star in the f1 smoothing function. .. py:function:: get_f1_smoothing_params(x0: jax_dna.utils.types.Scalar, a: jax_dna.utils.types.Scalar, xc: jax_dna.utils.types.Scalar, x_low: jax_dna.utils.types.Scalar, x_high: jax_dna.utils.types.Scalar) -> tuple[jax_dna.utils.types.Scalar, jax_dna.utils.types.Scalar, jax_dna.utils.types.Scalar, jax_dna.utils.types.Scalar] Get the smoothing parameters for the f1 smoothing function. .. py:function:: _solve_f2_b(x: jax_dna.utils.types.Scalar, x0: jax_dna.utils.types.Scalar, xc: jax_dna.utils.types.Scalar) -> jax_dna.utils.types.Scalar Solve for the smoothing parameter b in the f2 smoothing function. .. py:function:: _solve_f2_xc_star(x: jax_dna.utils.types.Scalar, x0: jax_dna.utils.types.Scalar, xc: jax_dna.utils.types.Scalar) -> jax_dna.utils.types.Scalar Solve for the smoothing parameter xc_star in the f2 smoothing function. .. py:function:: get_f2_smoothing_params(x0: jax_dna.utils.types.Scalar, xc: jax_dna.utils.types.Scalar, x_low: jax_dna.utils.types.Scalar, x_high: jax_dna.utils.types.Scalar) -> tuple[jax_dna.utils.types.Scalar, jax_dna.utils.types.Scalar, jax_dna.utils.types.Scalar, jax_dna.utils.types.Scalar] Get the smoothing parameters for the f2 smoothing function. .. py:function:: _solve_f3_b(x: jax_dna.utils.types.Scalar, sigma: jax_dna.utils.types.Scalar) -> jax_dna.utils.types.Scalar Solve for the smoothing parameter b in the f3 smoothing function. .. py:function:: _solve_f3_xc(x: jax_dna.utils.types.Scalar, sigma: jax_dna.utils.types.Scalar) -> jax_dna.utils.types.Scalar Solve for the smoothing parameter xc in the f3 smoothing function. .. py:function:: get_f3_smoothing_params(r_star: jax_dna.utils.types.Scalar, sigma: jax_dna.utils.types.Scalar) -> tuple[jax_dna.utils.types.Scalar, jax_dna.utils.types.Scalar] Get the smoothing parameters for the f3 smoothing function. .. py:function:: _solve_f4_b(x: jax_dna.utils.types.Scalar, x0: jax_dna.utils.types.Scalar, a: jax_dna.utils.types.Scalar) -> jax_dna.utils.types.Scalar Solve for the smoothing parameter b in the f4 smoothing function. .. py:function:: _solve_f4_xc(x: jax_dna.utils.types.Scalar, x0: jax_dna.utils.types.Scalar, a: jax_dna.utils.types.Scalar) -> jax_dna.utils.types.Scalar Solve for the smoothing parameter xc in the f4 smoothing function. .. py:function:: get_f4_smoothing_params(a: jax_dna.utils.types.Scalar, x0: jax_dna.utils.types.Scalar, delta_x_star: jax_dna.utils.types.Scalar) -> tuple[jax_dna.utils.types.Scalar, jax_dna.utils.types.Scalar] Get the smoothing parameters for the f4 smoothing function. .. py:function:: _solve_f5_b(x: jax_dna.utils.types.Scalar, x0: jax_dna.utils.types.Scalar, a: jax_dna.utils.types.Scalar) -> jax_dna.utils.types.Scalar Solve for the smoothing parameter b in the f5 smoothing function. .. py:function:: _solve_f5_xc(x: jax_dna.utils.types.Scalar, x0: jax_dna.utils.types.Scalar, a: jax_dna.utils.types.Scalar) -> jax_dna.utils.types.Scalar Solve for the smoothing parameter xc in the f5 smoothing function. .. py:function:: get_f5_smoothing_params(a: jax_dna.utils.types.Scalar, x_star: jax_dna.utils.types.Scalar) -> tuple[jax_dna.utils.types.Scalar, jax_dna.utils.types.Scalar] Get the smoothing parameters for the f5 smoothing function.