mythos.energy.na1.bonded_excluded_volume ======================================== .. py:module:: mythos.energy.na1.bonded_excluded_volume .. autoapi-nested-parse:: Bonded excluded volume energy for DNA1 model. Classes ------- .. autoapisummary:: mythos.energy.na1.bonded_excluded_volume.BondedExcludedVolumeConfiguration mythos.energy.na1.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:: nt_type :type: mythos.utils.types.Arr_Nucleotide | None :value: None .. py:attribute:: dna_eps_exc :type: float | None :value: None .. py:attribute:: dna_dr_star_base :type: float | None :value: None .. py:attribute:: dna_sigma_base :type: float | None :value: None .. py:attribute:: dna_sigma_back_base :type: float | None :value: None .. py:attribute:: dna_sigma_base_back :type: float | None :value: None .. py:attribute:: dna_dr_star_back_base :type: float | None :value: None .. py:attribute:: dna_dr_star_base_back :type: float | None :value: None .. py:attribute:: rna_eps_exc :type: float | None :value: None .. py:attribute:: rna_dr_star_base :type: float | None :value: None .. py:attribute:: rna_sigma_base :type: float | None :value: None .. py:attribute:: rna_sigma_back_base :type: float | None :value: None .. py:attribute:: rna_sigma_base_back :type: float | None :value: None .. py:attribute:: rna_dr_star_back_base :type: float | None :value: None .. py:attribute:: rna_dr_star_base_back :type: float | None :value: None .. py:attribute:: dna_config :type: mythos.energy.dna1.BondedExcludedVolumeConfiguration | None :value: None .. py:attribute:: rna_config :type: mythos.energy.dna1.BondedExcludedVolumeConfiguration | None :value: None .. py:attribute:: required_params :type: tuple[str] :value: ('nt_type', 'dna_eps_exc', 'dna_dr_star_base', 'dna_sigma_base', 'dna_sigma_back_base',... .. 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 NA1 model. .. py:attribute:: params :type: BondedExcludedVolumeConfiguration .. py:method:: compute_energy(nucleotide: mythos.energy.na1.nucleotide.HybridNucleotide) -> mythos.utils.types.Scalar Compute the energy of the system given the nucleotide.