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protocols::qsar::scoring_grid::ShapeGrid Member List

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

atom_score(core::conformation::UltraLightResidue const &residue, core::Size atomno, qsarMapCOP qsar_map) const overrideprotocols::qsar::scoring_grid::ShapeGridvirtual
atom_score(core::conformation::Residue const &residue, core::Size atomno, qsarMapCOP qsar_map) const overrideprotocols::qsar::scoring_grid::ShapeGridvirtual
center_protocols::qsar::scoring_grid::SingleGridprivate
chain_protocols::qsar::scoring_grid::SingleGridprivate
clone() const overrideprotocols::qsar::scoring_grid::ShapeGridvirtual
deserialize(utility::json_spirit::mObject data) overrideprotocols::qsar::scoring_grid::ShapeGridvirtual
diffuse_ring(core::Vector const &coords, core::Real radius, core::Real width, core::Real magnitude)protocols::qsar::scoring_grid::SingleGrid
distance_bin_width_protocols::qsar::scoring_grid::ShapeGridprivate
dump_BRIX(std::string const &prefix) const overrideprotocols::qsar::scoring_grid::SingleGridvirtual
fill_with_value(core::Real)protocols::qsar::scoring_grid::SingleGrid
get_center() constprotocols::qsar::scoring_grid::SingleGrid
get_chain()protocols::qsar::scoring_grid::SingleGrid
get_dimensions()protocols::qsar::scoring_grid::SingleGrid
get_grid() constprotocols::qsar::scoring_grid::SingleGrid
get_max_value() constprotocols::qsar::scoring_grid::SingleGrid
get_min_value() constprotocols::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) constprotocols::qsar::scoring_grid::SingleGrid
get_point(core::Vector coords) constprotocols::qsar::scoring_grid::SingleGrid
get_point_score(numeric::kdtree::KDPointList const &nearest_residues, core::Vector const &query_coords)protocols::qsar::scoring_grid::ShapeGridprivate
get_point_value_list_within_range(core::Real lower_bound, core::Real upper_bound, core::Size stride) constprotocols::qsar::scoring_grid::SingleGrid
get_score_from_angles(std::string const &name3, core::Real distance, core::Real theta, core::Real phi)protocols::qsar::scoring_grid::ShapeGridprivate
get_type() const overrideprotocols::qsar::scoring_grid::SingleGridvirtual
grid_protocols::qsar::scoring_grid::SingleGridprivate
grid_name()protocols::qsar::scoring_grid::ShapeGridstatic
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
hash_fingerprint() const overrideprotocols::qsar::scoring_grid::ShapeGridvirtual
initialize(core::Vector const &center, core::Real width, core::Real resolution) overrideprotocols::qsar::scoring_grid::SingleGridvirtual
is_in_grid(core::conformation::UltraLightResidue const &residue) const overrideprotocols::qsar::scoring_grid::SingleGridvirtual
is_in_grid(core::conformation::Residue const &residue) const overrideprotocols::qsar::scoring_grid::SingleGridvirtual
kbp_data_protocols::qsar::scoring_grid::ShapeGridprivate
KBPGridCOP typedefprotocols::qsar::scoring_grid::ShapeGridprivate
KBPGridOP typedefprotocols::qsar::scoring_grid::ShapeGridprivate
load_kbp_data()protocols::qsar::scoring_grid::ShapeGridprivate
parse_my_tag(utility::tag::TagCOP tag) overrideprotocols::qsar::scoring_grid::ShapeGridvirtual
phi_bin_width_protocols::qsar::scoring_grid::ShapeGridprivate
provide_xml_schema(utility::tag::XMLSchemaDefinition &xsd)protocols::qsar::scoring_grid::ShapeGridstatic
refresh(core::pose::Pose const &pose, core::Vector const &center, core::Size const &) overrideprotocols::qsar::scoring_grid::ShapeGridvirtual
refresh(core::pose::Pose const &pose, core::Vector const &center) overrideprotocols::qsar::scoring_grid::ShapeGridvirtual
refresh(core::pose::Pose const &pose, core::Vector const &center, utility::vector1< core::Size >) overrideprotocols::qsar::scoring_grid::ShapeGridvirtual
score(core::conformation::UltraLightResidue const &residue, core::Real const max_score, qsarMapCOP qsar_map) const overrideprotocols::qsar::scoring_grid::ShapeGridvirtual
score(core::conformation::Residue const &residue, core::Real const max_score, qsarMapCOP qsar_map) const overrideprotocols::qsar::scoring_grid::ShapeGridvirtual
serialize() const overrideprotocols::qsar::scoring_grid::ShapeGridvirtual
set_center(core::Vector center)protocols::qsar::scoring_grid::SingleGrid
set_chain(char chain) overrideprotocols::qsar::scoring_grid::SingleGridvirtual
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::InterpolatorCOP 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
ShapeGrid()protocols::qsar::scoring_grid::ShapeGrid
show(std::ostream &out) const overrideprotocols::qsar::scoring_grid::SingleGridvirtual
SingleGrid(std::string const &type)protocols::qsar::scoring_grid::SingleGrid
theta_bin_width_protocols::qsar::scoring_grid::ShapeGridprivate
type_protocols::qsar::scoring_grid::SingleGridprivate
~GridBase() overrideprotocols::qsar::scoring_grid::GridBaseinline
~ShapeGrid() overrideprotocols::qsar::scoring_grid::ShapeGrid
~SingleGrid() overrideprotocols::qsar::scoring_grid::SingleGrid