Rosetta  2021.16
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protocols::qsar::scoring_grid::PCSMultiGrid Member List

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

atom_score(UltraLightResidue const &residue, core::Size atomno, qsarMapCOP qsar_map) const overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
atom_score(Residue const &residue, core::Size atomno, qsarMapCOP qsar_map) const overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
clone() const overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
deserialize(utility::json_spirit::mObject data) overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
dump_BRIX(std::string const &prefix) const overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
get_number_pcs_grids() const protocols::qsar::scoring_grid::PCSMultiGridinline
get_pcs_grids() const protocols::qsar::scoring_grid::PCSMultiGridinline
get_pcs_grids()protocols::qsar::scoring_grid::PCSMultiGridinline
get_type() const overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
get_weight() const protocols::qsar::scoring_grid::PCSMultiGridinline
grid_name()protocols::qsar::scoring_grid::PCSMultiGridstatic
GridBase()protocols::qsar::scoring_grid::GridBaseinline
hash_fingerprint() const overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
initialize(Vector const &center, Real width, Real resolution) overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
initialize_pcs_data_from_input_file(std::string const &filename)protocols::qsar::scoring_grid::PCSMultiGridprivate
is_in_grid(UltraLightResidue const &residue) const overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
is_in_grid(Residue const &residue) const overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
operator=(PCSMultiGrid const &rhs)protocols::qsar::scoring_grid::PCSMultiGrid
parse_my_tag(utility::tag::TagCOP tag) overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
pcs_data_initialized_protocols::qsar::scoring_grid::PCSMultiGridprivate
pcs_grid_vector_protocols::qsar::scoring_grid::PCSMultiGridprivate
pcs_input_file_protocols::qsar::scoring_grid::PCSMultiGridprivate
PCSMultiGrid()protocols::qsar::scoring_grid::PCSMultiGrid
PCSMultiGrid(std::string const &filename, Real const weight=1.0)protocols::qsar::scoring_grid::PCSMultiGrid
PCSMultiGrid(PCSMultiGrid const &other)protocols::qsar::scoring_grid::PCSMultiGrid
Pose typedefprotocols::qsar::scoring_grid::PCSMultiGrid
provide_xml_schema(utility::tag::XMLSchemaDefinition &xsd)protocols::qsar::scoring_grid::PCSMultiGridstatic
Real typedefprotocols::qsar::scoring_grid::PCSMultiGrid
refresh(Pose const &pose, Vector const &center) overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
refresh(Pose const &pose, Vector const &center, core::Size const &ligand_chain_id_to_exclude) overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
refresh(Pose const &pose, Vector const &center, utility::vector1< core::Size > ligand_chain_ids_to_exclude) overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
Residue typedefprotocols::qsar::scoring_grid::PCSMultiGrid
score(UltraLightResidue const &residue, Real const max_score, qsarMapCOP qsar_map) const overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
score(Residue const &residue, Real const max_score, qsarMapCOP qsar_map) const overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
serialize() const overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
set_chain(char chain) overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
set_weight(Real w)protocols::qsar::scoring_grid::PCSMultiGridinline
show(std::ostream &out) const overrideprotocols::qsar::scoring_grid::PCSMultiGridvirtual
Size typedefprotocols::qsar::scoring_grid::PCSMultiGrid
type_protocols::qsar::scoring_grid::PCSMultiGridprivate
UltraLightResidue typedefprotocols::qsar::scoring_grid::PCSMultiGrid
Vector typedefprotocols::qsar::scoring_grid::PCSMultiGrid
weight_protocols::qsar::scoring_grid::PCSMultiGridprivate
~GridBase() overrideprotocols::qsar::scoring_grid::GridBaseinline
~PCSMultiGrid() overrideprotocols::qsar::scoring_grid::PCSMultiGrid