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Rosetta
2020.50
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A glorified struct for holding f1/f2 vectors used to represent the derivatives in our internal-geometry based minimization algorithms. More...
#include <DerivVectorPair.hh>
Public Member Functions | |
DerivVectorPair () | |
Vector & | f1 () |
Vector & | f2 () |
Vector const & | f1 () const |
Vector const & | f2 () const |
DerivVectorPair & | operator+= (DerivVectorPair const &rhs) |
Private Attributes | |
Vector | f1_ |
Vector | f2_ |
A glorified struct for holding f1/f2 vectors used to represent the derivatives in our internal-geometry based minimization algorithms.
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References f1_.
Referenced by core::scoring::hbonds::assign_abase_derivs(), core::energy_methods::NPDHBondEnergy::eval_atom_derivative(), core::energy_methods::MgEnergy::eval_mg_interaction(), core::scoring::geometric_solvation::fill_atom_derivs_for_acceptor(), core::scoring::geometric_solvation::fill_atom_derivs_for_donor(), core::energy_methods::WaterAdductHBondEnergy::get_atom_h2o_hbond_derivative(), core::scoring::hbonds::hb_energy_deriv_u2(), core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::occluded_water_hbond_penalty(), and core::scoring::operator*().
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References f2_.
Referenced by core::scoring::hbonds::assign_abase_derivs(), protocols::ligand_docking::ga_ligand_dock::GridScorer::derivatives(), core::energy_methods::NPDHBondEnergy::eval_atom_derivative(), core::energy_methods::MgEnergy::eval_mg_interaction(), core::scoring::geometric_solvation::fill_atom_derivs_for_acceptor(), core::scoring::geometric_solvation::fill_atom_derivs_for_donor(), core::energy_methods::WaterAdductHBondEnergy::get_atom_h2o_hbond_derivative(), core::scoring::hbonds::hb_energy_deriv_u2(), core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::occluded_water_hbond_penalty(), and core::scoring::operator*().
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Referenced by f1(), and operator+=().
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Referenced by f2(), and operator+=().