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

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

add_grid(std::string const &name, GridBaseOP grid, core::Real weight=1.0)protocols::qsar::scoring_grid::GridSet
atom_score(core::pose::Pose const &pose, core::conformation::Residue const &residue, core::Size atomindex) const protocols::qsar::scoring_grid::GridSet
average_score(utility::vector1< core::conformation::UltraLightResidue > &residues) const protocols::qsar::scoring_grid::GridSet
chain(char chain)protocols::qsar::scoring_grid::GridSetinline
chain() const protocols::qsar::scoring_grid::GridSetinline
chain_protocols::qsar::scoring_grid::GridSetprivate
clone() const protocols::qsar::scoring_grid::GridSet
deserialize(utility::json_spirit::mArray data)protocols::qsar::scoring_grid::GridSet
get_grid(std::string const &name) const protocols::qsar::scoring_grid::GridSet
get_grid_names() const protocols::qsar::scoring_grid::GridSet
grid_scores(core::conformation::Residue const &residue) const protocols::qsar::scoring_grid::GridSet
grid_scores(core::pose::Pose const &pose, utility::vector1< core::Size > const &residues) const protocols::qsar::scoring_grid::GridSet
grid_scores(utility::vector1< GridScorable const * > const &items) const protocols::qsar::scoring_grid::GridSetprivate
grid_weights_protocols::qsar::scoring_grid::GridSetprivate
grids_protocols::qsar::scoring_grid::GridSetprivate
GridSet()protocols::qsar::scoring_grid::GridSet
GridSet(GridSet const &src)protocols::qsar::scoring_grid::GridSet
has_grid(std::string const &name) const protocols::qsar::scoring_grid::GridSet
hash_fingerprint() const protocols::qsar::scoring_grid::GridSet
is_in_grid(utility::vector1< core::conformation::UltraLightResidue > const &residues) const protocols::qsar::scoring_grid::GridSet
is_in_grid(core::conformation::UltraLightResidue const &residue) const protocols::qsar::scoring_grid::GridSet
is_in_grid(core::conformation::Residue const &residue) const protocols::qsar::scoring_grid::GridSet
is_normalization_enabled() const protocols::qsar::scoring_grid::GridSet
is_qsar_map_attached() const protocols::qsar::scoring_grid::GridSet
make_new_grid(utility::tag::TagCOP tag)protocols::qsar::scoring_grid::GridSet
MappingType typedefprotocols::qsar::scoring_grid::GridSetprivate
norm_function_protocols::qsar::scoring_grid::GridSetprivate
normalize(core::Real total_score, utility::vector1< core::conformation::UltraLightResidue const * > const &items) const protocols::qsar::scoring_grid::GridSetprivate
normalize(core::Real total_score, utility::vector1< core::conformation::Residue const * > const &items) const protocols::qsar::scoring_grid::GridSetprivate
qsar_map_protocols::qsar::scoring_grid::GridSetprivate
reinitialize(core::pose::Pose const &pose, core::Vector const &center)protocols::qsar::scoring_grid::GridSet
resolution(core::Real resolution)protocols::qsar::scoring_grid::GridSetinline
resolution() const protocols::qsar::scoring_grid::GridSetinline
resolution_protocols::qsar::scoring_grid::GridSetprivate
ScoreMap typedefprotocols::qsar::scoring_grid::GridSet
serialize() const protocols::qsar::scoring_grid::GridSet
set_normalization_function(std::string norm_function_name)protocols::qsar::scoring_grid::GridSet
set_qsar_map(qsarMapCOP qsar_map)protocols::qsar::scoring_grid::GridSet
size() const protocols::qsar::scoring_grid::GridSet
total_score(core::conformation::UltraLightResidue const &residue) const protocols::qsar::scoring_grid::GridSet
total_score(core::conformation::Residue const &residue) const protocols::qsar::scoring_grid::GridSet
total_score(core::pose::Pose const &pose, core::Size const chain_id) const protocols::qsar::scoring_grid::GridSet
total_score(core::pose::Pose const &pose, utility::vector1< core::Size > const &residues) const protocols::qsar::scoring_grid::GridSet
total_score(utility::vector1< GridScorable const * > const &items) const protocols::qsar::scoring_grid::GridSetprivate
width(core::Real width)protocols::qsar::scoring_grid::GridSetinline
width() const protocols::qsar::scoring_grid::GridSetinline
width_protocols::qsar::scoring_grid::GridSetprivate
write_grids(std::string prefix) const protocols::qsar::scoring_grid::GridSet
~GridSet() overrideprotocols::qsar::scoring_grid::GridSet