mythos.energy.dna1.bonded_excluded_volume ========================================= .. py:module:: mythos.energy.dna1.bonded_excluded_volume .. autoapi-nested-parse:: Bonded excluded volume energy for DNA1 model. Classes ------- .. autoapisummary:: mythos.energy.dna1.bonded_excluded_volume.BondedExcludedVolumeConfiguration mythos.energy.dna1.bonded_excluded_volume.BondedExcludedVolume Module Contents --------------- .. py:class:: BondedExcludedVolumeConfiguration Bases: :py:obj:`mythos.energy.configuration.BaseConfiguration` Configuration for the bonded 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:: sigma_back_base :type: float | None :value: None .. py:attribute:: sigma_base_back :type: float | None :value: None .. py:attribute:: dr_star_back_base :type: float | None :value: None .. py:attribute:: dr_star_base_back :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:: required_params :type: tuple[str] :value: ('eps_exc', 'dr_star_base', 'sigma_base', 'sigma_back_base', 'sigma_base_back',... .. 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() -> BondedExcludedVolumeConfiguration Initializes the dependent parameters in configuration. Should be implemented in the subclass if dependent parameters are present. .. py:class:: BondedExcludedVolume Bases: :py:obj:`mythos.energy.base.BaseEnergyFunction` Bonded excluded volume energy function for DNA1 model. .. py:attribute:: params :type: BondedExcludedVolumeConfiguration .. py:method:: pairwise_energies(body: mythos.energy.base.BaseNucleotide, bonded_neighbors: mythos.utils.types.Arr_Bonded_Neighbors_2) -> mythos.utils.types.Arr_Bonded_Neighbors Computes the excluded volume energy for each bonded pair. .. py:method:: compute_energy(nucleotide: mythos.energy.base.BaseNucleotide) -> mythos.utils.types.Scalar Compute the energy of the system given the nucleotide.