protocols::qsar::scoring_grid::PCSSingleGrid Member List

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

atom_score(UltraLightResidue const &residue, core::Size atomno, qsarMapCOP qsar_map) const override	protocols::qsar::scoring_grid::PCSSingleGrid	virtual
atom_score(Residue const &residue, core::Size atomno, qsarMapCOP qsar_map) const override	protocols::qsar::scoring_grid::PCSSingleGrid	virtual
clone() const override	protocols::qsar::scoring_grid::PCSSingleGrid	virtual
deserialize(utility::json_spirit::mObject data) override	protocols::qsar::scoring_grid::PCSSingleGrid	virtual
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) const override	protocols::qsar::scoring_grid::SingleGrid	virtual
fill_with_value(core::Real)	protocols::qsar::scoring_grid::SingleGrid
get_center() const	protocols::qsar::scoring_grid::SingleGrid
get_chain()	protocols::qsar::scoring_grid::SingleGrid
get_dimensions()	protocols::qsar::scoring_grid::SingleGrid
get_grid() const	protocols::qsar::scoring_grid::SingleGrid
get_max_value() const	protocols::qsar::scoring_grid::SingleGrid
get_min_value() const	protocols::qsar::scoring_grid::SingleGrid
get_pcs_values() const	protocols::qsar::scoring_grid::PCSSingleGrid	inline
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) const	protocols::qsar::scoring_grid::SingleGrid
get_point(core::Vector coords) const	protocols::qsar::scoring_grid::SingleGrid
get_point_value_list_within_range(core::Real lower_bound, core::Real upper_bound, core::Size stride) const	protocols::qsar::scoring_grid::SingleGrid
get_tensor() const	protocols::qsar::scoring_grid::PCSSingleGrid	inline
get_type() const override	protocols::qsar::scoring_grid::SingleGrid	virtual
get_weight() const	protocols::qsar::scoring_grid::PCSSingleGrid	inline
grid_name()	protocols::qsar::scoring_grid::PCSSingleGrid	static
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::GridBase	inline
hash_fingerprint() const override	protocols::qsar::scoring_grid::PCSSingleGrid	virtual
init_pcs_values_from_file(std::string const &filename, Pose const &pose)	protocols::qsar::scoring_grid::PCSSingleGrid	private
initialize(core::Vector const &center, core::Real width, core::Real resolution) override	protocols::qsar::scoring_grid::SingleGrid	virtual
is_in_grid(core::conformation::UltraLightResidue const &residue) const override	protocols::qsar::scoring_grid::SingleGrid	virtual
is_in_grid(core::conformation::Residue const &residue) const override	protocols::qsar::scoring_grid::SingleGrid	virtual
operator=(PCSSingleGrid const &rhs)	protocols::qsar::scoring_grid::PCSSingleGrid
parse_my_tag(utility::tag::TagCOP tag) override	protocols::qsar::scoring_grid::PCSSingleGrid	virtual
pcs_file_	protocols::qsar::scoring_grid::PCSSingleGrid	private
pcs_values_	protocols::qsar::scoring_grid::PCSSingleGrid	private
PCSSingle typedef	protocols::qsar::scoring_grid::PCSSingleGrid
PCSSingleGrid()	protocols::qsar::scoring_grid::PCSSingleGrid
PCSSingleGrid(std::string const &filename, PCSTensorOP tensor, Real const weight=1.0)	protocols::qsar::scoring_grid::PCSSingleGrid
PCSSingleGrid(std::string const &filename, utility::vector1< Real > const &tensor_vals, Real const weight=1.0)	protocols::qsar::scoring_grid::PCSSingleGrid
PCSSingleGrid(std::string const &filename, PCSTensorOP tensor, Pose const &pose, Real const weight=1.0)	protocols::qsar::scoring_grid::PCSSingleGrid
PCSSingleGrid(std::string const &filename, utility::vector1< Real > const &tensor_vals, Pose const &pose, Real const weight=1.0)	protocols::qsar::scoring_grid::PCSSingleGrid
PCSSingleGrid(PCSSingleGrid const &other)	protocols::qsar::scoring_grid::PCSSingleGrid
PCSSingleOP typedef	protocols::qsar::scoring_grid::PCSSingleGrid
PCSTensor typedef	protocols::qsar::scoring_grid::PCSSingleGrid
PCSTensorCOP typedef	protocols::qsar::scoring_grid::PCSSingleGrid
PCSTensorOP typedef	protocols::qsar::scoring_grid::PCSSingleGrid
Pose typedef	protocols::qsar::scoring_grid::PCSSingleGrid
provide_xml_schema(utility::tag::XMLSchemaDefinition &xsd)	protocols::qsar::scoring_grid::PCSSingleGrid	static
Real typedef	protocols::qsar::scoring_grid::PCSSingleGrid
refresh(Pose const &pose, Vector const &center) override	protocols::qsar::scoring_grid::PCSSingleGrid	virtual
refresh(Pose const &pose, Vector const &center, core::Size const &ligand_chain_id_to_exclude) override	protocols::qsar::scoring_grid::PCSSingleGrid	virtual
refresh(Pose const &pose, Vector const &center, utility::vector1< core::Size > ligand_chain_ids_to_exclude) override	protocols::qsar::scoring_grid::PCSSingleGrid	virtual
Residue typedef	protocols::qsar::scoring_grid::PCSSingleGrid
score(UltraLightResidue const &residue, Real const max_score, qsarMapCOP qsar_map) const override	protocols::qsar::scoring_grid::PCSSingleGrid	virtual
score(Residue const &residue, Real const max_score, qsarMapCOP qsar_map) const override	protocols::qsar::scoring_grid::PCSSingleGrid	virtual
serialize() const override	protocols::qsar::scoring_grid::PCSSingleGrid	virtual
set_center(core::Vector center)	protocols::qsar::scoring_grid::SingleGrid
set_chain(char chain) override	protocols::qsar::scoring_grid::SingleGrid	virtual
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
set_weight(Real w)	protocols::qsar::scoring_grid::PCSSingleGrid	inline
show(std::ostream &out) const override	protocols::qsar::scoring_grid::SingleGrid	virtual
SingleGrid(std::string const &type)	protocols::qsar::scoring_grid::SingleGrid
Size typedef	protocols::qsar::scoring_grid::PCSSingleGrid
tensor_	protocols::qsar::scoring_grid::PCSSingleGrid	private
UltraLightResidue typedef	protocols::qsar::scoring_grid::PCSSingleGrid
Vector typedef	protocols::qsar::scoring_grid::PCSSingleGrid
weight_	protocols::qsar::scoring_grid::PCSSingleGrid	private
~GridBase() override	protocols::qsar::scoring_grid::GridBase	inline
~SingleGrid() override	protocols::qsar::scoring_grid::SingleGrid