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Rosetta 3.4
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Rosetta 3.4
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#include <DisulfideMatchingEnergy.hh>
Public Member Functions | |
| DisulfideMatchingEnergy (DisulfideMatchingPotential const &potential) | |
| virtual | ~DisulfideMatchingEnergy () |
| virtual methods::EnergyMethodOP | clone () const |
| virtual void | setup_for_scoring (pose::Pose &, ScoreFunction const &) const |
| virtual void | indicate_required_context_graphs (utility::vector1< bool > &) const |
| Indicate in the context-graphs-required list which context-graphs this energy method requires that the Pose maintain when doing neighbor evaluation. Context graphs are allowed. | |
| virtual void | residue_pair_energy (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const |
| Evaluate the interaction between a given residue pair accumulating the unweighted energies in an EnergyMap. | |
| virtual bool | defines_intrares_energy (EnergyMap const &weights) const |
| Two body energies are able to define intra-residue energies, and to do so only in the presence of certain non-zero weights. The ScoreFunction will hand over its weight set as it asks whether the energy method defines an intraresidue energy or not. | |
| virtual void | eval_intrares_energy (conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const |
| Evaluate the intra-residue energy for a given residue. | |
| virtual methods::LongRangeEnergyType | long_range_type () const |
| virtual bool | defines_residue_pair_energy (pose::Pose const &pose, Size res1, Size res2) const |
Public Attributes | |
| __pad0__:ContextIndependentLRTwoBodyEnergy parent | |
| core::scoring::disulfides::DisulfideMatchingEnergy::DisulfideMatchingEnergy | ( | DisulfideMatchingPotential const & | potential | ) |
Referenced by clone().
| core::scoring::disulfides::DisulfideMatchingEnergy::~DisulfideMatchingEnergy | ( | ) | [virtual] |
| methods::EnergyMethodOP core::scoring::disulfides::DisulfideMatchingEnergy::clone | ( | ) | const [virtual] |
Implements core::scoring::methods::EnergyMethod.
References DisulfideMatchingEnergy().
| bool core::scoring::disulfides::DisulfideMatchingEnergy::defines_intrares_energy | ( | EnergyMap const & | weights | ) | const [virtual] |
Two body energies are able to define intra-residue energies, and to do so only in the presence of certain non-zero weights. The ScoreFunction will hand over its weight set as it asks whether the energy method defines an intraresidue energy or not.
For example, the Etable method defines intra-residue energies only when one or more of the fa_intra_{atr,rep,sol} weights are non-zero.
Implements core::scoring::methods::TwoBodyEnergy.
| bool core::scoring::disulfides::DisulfideMatchingEnergy::defines_residue_pair_energy | ( | pose::Pose const & | pose, |
| Size | res1, | ||
| Size | res2 | ||
| ) | const [virtual] |
| void core::scoring::disulfides::DisulfideMatchingEnergy::eval_intrares_energy | ( | conformation::Residue const & | rsd, |
| pose::Pose const & | pose, | ||
| ScoreFunction const & | sfxn, | ||
| EnergyMap & | emap | ||
| ) | const [virtual] |
Evaluate the intra-residue energy for a given residue.
Implements core::scoring::methods::TwoBodyEnergy.
| void core::scoring::disulfides::DisulfideMatchingEnergy::indicate_required_context_graphs | ( | utility::vector1< bool > & | context_graphs_required | ) | const [virtual] |
Indicate in the context-graphs-required list which context-graphs this energy method requires that the Pose maintain when doing neighbor evaluation. Context graphs are allowed.
Implements core::scoring::methods::EnergyMethod.
| methods::LongRangeEnergyType core::scoring::disulfides::DisulfideMatchingEnergy::long_range_type | ( | ) | const [virtual] |
Implements core::scoring::methods::LongRangeTwoBodyEnergy.
References core::scoring::methods::disulfide_matching_energy.
| void core::scoring::disulfides::DisulfideMatchingEnergy::residue_pair_energy | ( | conformation::Residue const & | rsd1, |
| conformation::Residue const & | rsd2, | ||
| pose::Pose const & | pose, | ||
| ScoreFunction const & | sfxn, | ||
| EnergyMap & | emap | ||
| ) | const [virtual] |
Evaluate the interaction between a given residue pair accumulating the unweighted energies in an EnergyMap.
Implements core::scoring::methods::TwoBodyEnergy.
References core::conformation::Residue::aa(), core::chemical::aa_cys, core::scoring::methods::disulfide_matching_energy, core::scoring::dslfc_rot, core::scoring::dslfc_RT, core::scoring::dslfc_trans, core::pose::Pose::energies(), core::conformation::Residue::has_variant_type(), core::scoring::Energies::long_range_container(), core::scoring::disulfides::DisulfideMatchingPotential::score_disulfide(), and core::conformation::Residue::seqpos().
| void core::scoring::disulfides::DisulfideMatchingEnergy::setup_for_scoring | ( | pose::Pose & | pose, |
| ScoreFunction const & | |||
| ) | const [virtual] |
Reimplemented from core::scoring::methods::EnergyMethod.
References core::scoring::methods::disulfide_matching_energy, core::pose::Pose::energies(), core::scoring::Energies::long_range_container(), core::scoring::Energies::nonconst_long_range_container(), and core::scoring::Energies::set_long_range_container().
1.7.4
