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protocols::qsar::scoring_grid::SingleGrid Member List

This is the complete list of members for protocols::qsar::scoring_grid::SingleGrid, including all inherited members.

atom_score(core::conformation::Residue const &residue, core::Size atomno, qsarMapOP qsar_map)protocols::qsar::scoring_grid::SingleGridvirtual
center_protocols::qsar::scoring_grid::SingleGridprivate
chain_protocols::qsar::scoring_grid::SingleGridprivate
deserialize(utility::json_spirit::mObject data)protocols::qsar::scoring_grid::SingleGridvirtual
diffuse_ring(core::Vector const &coords, core::Real radius, core::Real width, core::Real magnitude)protocols::qsar::scoring_grid::SingleGrid
dump_BRIX(std::string const &prefix)protocols::qsar::scoring_grid::SingleGridvirtual
fill_with_value(core::Real)protocols::qsar::scoring_grid::SingleGrid
get_center()protocols::qsar::scoring_grid::SingleGrid
get_chain()protocols::qsar::scoring_grid::SingleGrid
get_dimensions()protocols::qsar::scoring_grid::SingleGrid
get_grid()protocols::qsar::scoring_grid::SingleGrid
get_max_value() const protocols::qsar::scoring_grid::SingleGrid
get_min_value() const protocols::qsar::scoring_grid::SingleGrid
get_pdb_coords(int x, int y, int z)protocols::qsar::scoring_grid::SingleGrid
get_pdb_coords(core::grid::CartGrid< core::Real >::GridPt gridpt)protocols::qsar::scoring_grid::SingleGrid
get_point(core::Real x, core::Real y, core::Real z)protocols::qsar::scoring_grid::SingleGrid
get_point(core::Vector coords)protocols::qsar::scoring_grid::SingleGrid
get_point_value_list_within_range(core::Real lower_bound, core::Real upper_bound, core::Size stride)protocols::qsar::scoring_grid::SingleGrid
get_type()protocols::qsar::scoring_grid::SingleGridvirtual
grid_protocols::qsar::scoring_grid::SingleGridprivate
grid_to_kin(utility::io::ozstream &out, core::Real min_val, core::Real max_val, core::Size stride)protocols::qsar::scoring_grid::SingleGrid
GridBase()protocols::qsar::scoring_grid::GridBaseinline
initialize(core::Vector const &center, core::Real width, core::Real resolution)protocols::qsar::scoring_grid::SingleGridvirtual
is_in_grid(core::conformation::Residue const &residue)protocols::qsar::scoring_grid::SingleGridvirtual
parse_my_tag(utility::tag::TagPtr const tag)=0protocols::qsar::scoring_grid::SingleGridpure virtual
refresh(core::pose::Pose const &pose, core::Vector const &center, core::Size const &ligand_chain_id_to_exclude)=0protocols::qsar::scoring_grid::SingleGridpure virtual
refresh(core::pose::Pose const &pose, core::Vector const &center, utility::vector1< core::Size > ligand_chain_ids_to_exclude)=0protocols::qsar::scoring_grid::SingleGridpure virtual
refresh(core::pose::Pose const &pose, core::Vector const &center)=0protocols::qsar::scoring_grid::SingleGridpure virtual
score(core::conformation::Residue const &residue, core::Real const max_score, qsarMapOP qsar_map)protocols::qsar::scoring_grid::SingleGridvirtual
serialize()protocols::qsar::scoring_grid::SingleGridvirtual
set_center(core::Vector center)protocols::qsar::scoring_grid::SingleGrid
set_chain(char chain)protocols::qsar::scoring_grid::SingleGridvirtual
set_distance_sphere(core::Vector const &coords, core::Real cutoff)protocols::qsar::scoring_grid::SingleGrid
set_distance_sphere_for_atom(core::Real const &atom_shell, core::Vector const &coords, core::Real cutoff)protocols::qsar::scoring_grid::SingleGrid
set_point(core::Vector const &coords, core::Real value)protocols::qsar::scoring_grid::SingleGrid
set_ring(core::Vector const &coords, core::Real inner_radius, core::Real outer_radius, core::Real value)protocols::qsar::scoring_grid::SingleGrid
set_score_sphere_for_atom(numeric::interpolation::spline::InterpolatorOP lj_spline, core::Vector const &coords, core::Real cutoff)protocols::qsar::scoring_grid::SingleGrid
set_sphere(core::Vector const &coords, core::Real radius, core::Real value)protocols::qsar::scoring_grid::SingleGrid
set_type(std::string type)protocols::qsar::scoring_grid::SingleGrid
SingleGrid(std::string type)protocols::qsar::scoring_grid::SingleGrid
type_protocols::qsar::scoring_grid::SingleGridprivate
~GridBase()protocols::qsar::scoring_grid::GridBaseinlinevirtual
~SingleGrid()protocols::qsar::scoring_grid::SingleGridvirtual