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protocols::pockets::DarcParticleSwarmMinimizer Member List

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::DarcParticleSwarmMinimizerinline
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::DarcParticleSwarmMinimizerprivate
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::DarcParticleSwarmMinimizerprivate
extra_pt_protocols::pockets::DarcParticleSwarmMinimizerprivate
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::DarcParticleSwarmMinimizerprivate
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::DarcParticleSwarmMinimizerprivate
ligand_natoms_elstscalc_protocols::pockets::DarcParticleSwarmMinimizerprivate
ligand_natoms_shapecalc_protocols::pockets::DarcParticleSwarmMinimizerprivate
missing_pt_protocols::pockets::DarcParticleSwarmMinimizerprivate
nfp_protocols::pockets::DarcParticleSwarmMinimizerprivate
ParticleSwarmMinimizer(Multivec const &p_min, Multivec const &p_max)core::optimization::ParticleSwarmMinimizer
pfp_protocols::pockets::DarcParticleSwarmMinimizerprivate
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) overrideprotocols::pockets::DarcParticleSwarmMinimizervirtual
steric_protocols::pockets::DarcParticleSwarmMinimizerprivate
~DarcParticleSwarmMinimizer() override=defaultprotocols::pockets::DarcParticleSwarmMinimizer
~ParticleSwarmMinimizer() overridecore::optimization::ParticleSwarmMinimizer