jax_dna.energy.dna1.unbonded_excluded_volume ============================================ .. py:module:: jax_dna.energy.dna1.unbonded_excluded_volume .. autoapi-nested-parse:: Unbonded excluded volume energy function for DNA1 model. Classes ------- .. autoapisummary:: jax_dna.energy.dna1.unbonded_excluded_volume.UnbondedExcludedVolumeConfiguration jax_dna.energy.dna1.unbonded_excluded_volume.UnbondedExcludedVolume Module Contents --------------- .. py:class:: UnbondedExcludedVolumeConfiguration Bases: :py:obj:`jax_dna.energy.configuration.BaseConfiguration` Configuration for the unbonded excluded volume energy function. .. py:attribute:: eps_exc :type: float | None :value: None .. py:attribute:: dr_star_base :type: float | None :value: None .. py:attribute:: sigma_base :type: float | None :value: None .. py:attribute:: dr_star_back_base :type: float | None :value: None .. py:attribute:: sigma_back_base :type: float | None :value: None .. py:attribute:: dr_star_base_back :type: float | None :value: None .. py:attribute:: sigma_base_back :type: float | None :value: None .. py:attribute:: dr_star_backbone :type: float | None :value: None .. py:attribute:: sigma_backbone :type: float | None :value: None .. py:attribute:: b_base :type: float | None :value: None .. py:attribute:: dr_c_base :type: float | None :value: None .. py:attribute:: b_back_base :type: float | None :value: None .. py:attribute:: dr_c_back_base :type: float | None :value: None .. py:attribute:: b_base_back :type: float | None :value: None .. py:attribute:: dr_c_base_back :type: float | None :value: None .. py:attribute:: b_backbone :type: float | None :value: None .. py:attribute:: dr_c_backbone :type: float | None :value: None .. py:attribute:: required_params :type: tuple[str] :value: ('eps_exc', 'dr_star_base', 'sigma_base', 'dr_star_back_base', 'sigma_back_base',... .. py:attribute:: dependent_params :type: tuple[str] :value: ('b_base', 'dr_c_base', 'b_back_base', 'dr_c_back_base', 'b_base_back', 'dr_c_base_back',... .. py:method:: init_params() -> UnbondedExcludedVolumeConfiguration Initializes the dependent parameters in configuration. Should be implemented in the subclass if dependent parameters are present. .. py:class:: UnbondedExcludedVolume Bases: :py:obj:`jax_dna.energy.base.BaseEnergyFunction` Unbonded excluded volume energy function for DNA1 model. .. py:attribute:: params :type: UnbondedExcludedVolumeConfiguration .. py:method:: pairwise_energies(body_i: jax_dna.energy.base.BaseNucleotide, body_j: jax_dna.energy.base.BaseNucleotide, unbonded_neighbors: jax_dna.utils.types.Arr_Unbonded_Neighbors_2) -> jax_dna.utils.types.Arr_Bonded_Neighbors Computes the excluded volume energy for each unbonded pair. .. py:method:: __call__(body: jax_dna.energy.base.BaseNucleotide, seq: jax_dna.utils.types.Sequence, bonded_neighbors: jax_dna.utils.types.Arr_Bonded_Neighbors_2, unbonded_neighbors: jax_dna.utils.types.Arr_Unbonded_Neighbors_2) -> jax_dna.utils.types.Scalar Calculate the energy of the system.