![]() |
Rosetta
2021.16
|
This is the complete list of members for protocols::pockets::DarcParticleSwarmMinimizer, including all inherited members.
| DarcParticleSwarmMinimizer(NonPlaidFingerprint &nfp_in, PlaidFingerprint &pfp_in, core::Real const &missing_point_weight, core::Real const &steric_weight, core::Real const &extra_point_weight, core::optimization::Multivec p_min, core::optimization::Multivec p_max) | protocols::pockets::DarcParticleSwarmMinimizer | inline |
| DarcPSO_elsts_score_(core::Size particle_inx, core::Size dim_x, core::Size dim_y, core::Size dim_z, core::Real mid_x, core::Real mid_y, core::Real mid_z, core::Real spacing, std::vector< std::vector< std::vector< core::Real > > > espGrid, std::vector< std::vector< std::vector< ElectrostaticpotentialGrid::PtType > > > typGrid, std::vector< basic::gpu::float4 > &atom_coors_charge) | protocols::pockets::DarcParticleSwarmMinimizer | private |
| DarcPSO_fp_compare_(core::Size particle_inx, core::Real const &missing_point_weight, core::Real const &steric_weight, core::Real const &extra_point_weight, utility::vector1< std::vector< basic::gpu::float4 > > &atoms, utility::vector1< std::vector< basic::gpu::float4 > > &atom_maxmin_phipsi) | protocols::pockets::DarcParticleSwarmMinimizer | private |
| extra_pt_ | protocols::pockets::DarcParticleSwarmMinimizer | private |
| fill_atom_arrays_(core::Size particle_inx, core::conformation::ResidueCOP ligand_rsd, utility::vector1< std::vector< basic::gpu::float4 > > &atoms, utility::vector1< std::vector< basic::gpu::float4 > > &atom_maxmin_phipsi) | protocols::pockets::DarcParticleSwarmMinimizer | private |
| fill_atom_arrays_for_electrostatics_(core::Size particle_inx, core::pose::Pose ligand_pose_for_elec_calc, std::vector< basic::gpu::float4 > &atoms_coors_and_charge) | protocols::pockets::DarcParticleSwarmMinimizer | private |
| ligand_natoms_elstscalc_ | protocols::pockets::DarcParticleSwarmMinimizer | private |
| ligand_natoms_shapecalc_ | protocols::pockets::DarcParticleSwarmMinimizer | private |
| missing_pt_ | protocols::pockets::DarcParticleSwarmMinimizer | private |
| nfp_ | protocols::pockets::DarcParticleSwarmMinimizer | private |
| ParticleSwarmMinimizer(Multivec const &p_min, Multivec const &p_max) | core::optimization::ParticleSwarmMinimizer | |
| pfp_ | protocols::pockets::DarcParticleSwarmMinimizer | private |
| print_particles(ParticleOPs &particles, std::string header) | core::optimization::ParticleSwarmMinimizer | |
| run(Size num_cycles, Multifunc &f_fitness, Size num_part=50) | core::optimization::ParticleSwarmMinimizer | |
| run(Size num_cycles, Multifunc &f_fitness, Size num_part, Multivec init_values) | core::optimization::ParticleSwarmMinimizer | |
| run(Size num_cycles, Multifunc &f_fitness, ParticleOPs &particles) | core::optimization::ParticleSwarmMinimizer | |
| score_all_particles(core::optimization::Multifunc &f_fitness, core::optimization::ParticleOPs &particles) override | protocols::pockets::DarcParticleSwarmMinimizer | virtual |
| steric_ | protocols::pockets::DarcParticleSwarmMinimizer | private |
| ~DarcParticleSwarmMinimizer() override=default | protocols::pockets::DarcParticleSwarmMinimizer | |
| ~ParticleSwarmMinimizer() override | core::optimization::ParticleSwarmMinimizer |
1.8.7