Rosetta 3.4
Public Member Functions
core::scoring::methods::PyContextIndependentTwoBodyEnergy Class Reference

#include <PyEnergy.hh>

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List of all members.

Public Member Functions

 PyContextIndependentTwoBodyEnergy (EnergyMethodCreatorOP op)
virtual void residue_pair_energy (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfn, EnergyMap &emap) const
 Evaluate the interaction between a given residue pair accumulating the unweighted energies in an EnergyMap.
virtual void Py_residue_pair_energy (utility::pointer::access_ptr< conformation::Residue const > const &rsd1, utility::pointer::access_ptr< conformation::Residue const > const &rsd2, utility::pointer::access_ptr< pose::Pose const > const &pose, utility::pointer::access_ptr< ScoreFunction const > const &sfn, utility::pointer::access_ptr< EnergyMap > const &emap) const =0
virtual bool defines_intrares_energy (EnergyMap const &emap) 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 bool Py_defines_intrares_energy (utility::pointer::access_ptr< EnergyMap const > const &emap) const =0
virtual void eval_intrares_energy (conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfn, EnergyMap &emap) const
 Evaluate the intra-residue energy for a given residue.
virtual void Py_eval_intrares_energy (utility::pointer::access_ptr< conformation::Residue const > const &rsd, utility::pointer::access_ptr< pose::Pose const > const &pose, utility::pointer::access_ptr< ScoreFunction const > const &sfn, utility::pointer::access_ptr< EnergyMap > const &emap) const =0
virtual Real eval_dof_derivative (id::DOF_ID const &dof_id, id::TorsionID const &tor_id, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap const &weights) const
virtual Real Py_eval_dof_derivative (utility::pointer::access_ptr< id::DOF_ID const > const &dof_id, utility::pointer::access_ptr< id::TorsionID const > const &tor_id, utility::pointer::access_ptr< pose::Pose const > const &pose, utility::pointer::access_ptr< ScoreFunction const > const &sfxn, utility::pointer::access_ptr< EnergyMap const > const &weights) const =0
virtual void indicate_required_context_graphs (utility::vector1< bool > &context_graphs_required) 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 Py_indicate_required_context_graphs (utility::pointer::access_ptr< utility::vector1< bool > > const &context_graphs_required) const =0

Constructor & Destructor Documentation

core::scoring::methods::PyContextIndependentTwoBodyEnergy::PyContextIndependentTwoBodyEnergy ( EnergyMethodCreatorOP  op) [inline]

Member Function Documentation

virtual bool core::scoring::methods::PyContextIndependentTwoBodyEnergy::defines_intrares_energy ( EnergyMap const &  weights) const [inline, 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.

References core::scoring::methods::_CAP(), and Py_defines_intrares_energy().

virtual Real core::scoring::methods::PyContextIndependentTwoBodyEnergy::eval_dof_derivative ( id::DOF_ID const &  dof_id,
id::TorsionID const &  tor_id,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap const &  weights 
) const [inline, virtual]
virtual void core::scoring::methods::PyContextIndependentTwoBodyEnergy::eval_intrares_energy ( conformation::Residue const &  rsd,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [inline, virtual]

Evaluate the intra-residue energy for a given residue.

Implements core::scoring::methods::TwoBodyEnergy.

References core::scoring::methods::_AP(), core::scoring::methods::_CAP(), and Py_eval_intrares_energy().

virtual void core::scoring::methods::PyContextIndependentTwoBodyEnergy::indicate_required_context_graphs ( utility::vector1< bool > &  context_graphs_required) const [inline, 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.

References core::scoring::methods::_AP(), and Py_indicate_required_context_graphs().

virtual bool core::scoring::methods::PyContextIndependentTwoBodyEnergy::Py_defines_intrares_energy ( utility::pointer::access_ptr< EnergyMap const > const &  emap) const [pure virtual]

Referenced by defines_intrares_energy().

virtual Real core::scoring::methods::PyContextIndependentTwoBodyEnergy::Py_eval_dof_derivative ( utility::pointer::access_ptr< id::DOF_ID const > const &  dof_id,
utility::pointer::access_ptr< id::TorsionID const > const &  tor_id,
utility::pointer::access_ptr< pose::Pose const > const &  pose,
utility::pointer::access_ptr< ScoreFunction const > const &  sfxn,
utility::pointer::access_ptr< EnergyMap const > const &  weights 
) const [pure virtual]

Referenced by eval_dof_derivative().

virtual void core::scoring::methods::PyContextIndependentTwoBodyEnergy::Py_eval_intrares_energy ( utility::pointer::access_ptr< conformation::Residue const > const &  rsd,
utility::pointer::access_ptr< pose::Pose const > const &  pose,
utility::pointer::access_ptr< ScoreFunction const > const &  sfn,
utility::pointer::access_ptr< EnergyMap > const &  emap 
) const [pure virtual]

Referenced by eval_intrares_energy().

virtual void core::scoring::methods::PyContextIndependentTwoBodyEnergy::Py_indicate_required_context_graphs ( utility::pointer::access_ptr< utility::vector1< bool > > const &  context_graphs_required) const [pure virtual]
virtual void core::scoring::methods::PyContextIndependentTwoBodyEnergy::Py_residue_pair_energy ( utility::pointer::access_ptr< conformation::Residue const > const &  rsd1,
utility::pointer::access_ptr< conformation::Residue const > const &  rsd2,
utility::pointer::access_ptr< pose::Pose const > const &  pose,
utility::pointer::access_ptr< ScoreFunction const > const &  sfn,
utility::pointer::access_ptr< EnergyMap > const &  emap 
) const [pure virtual]

Referenced by residue_pair_energy().

virtual void core::scoring::methods::PyContextIndependentTwoBodyEnergy::residue_pair_energy ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [inline, virtual]

Evaluate the interaction between a given residue pair accumulating the unweighted energies in an EnergyMap.

Implements core::scoring::methods::TwoBodyEnergy.

References core::scoring::methods::_AP(), core::scoring::methods::_CAP(), and Py_residue_pair_energy().


The documentation for this class was generated from the following file:
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