Rosetta
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#include <FullModelParameters.hh>
Public Member Functions | |
FullModelParameters () | |
FullModelParameters (std::string const &full_sequence) | |
FullModelParameters (std::string const &full_sequence, utility::vector1< Size > const &cutpoint_open_in_full_model, utility::vector1< Size > const &res_numbers_in_pose) | |
FullModelParameters (pose::Pose const &pose, utility::vector1< Size > &res_list) | |
FullModelParameters (FullModelParameters const &src) | |
~FullModelParameters () override | |
FullModelParametersOP | clone () const |
FullModelParametersOP | slice (utility::vector1< Size > const &slice_res) const |
std::string const & | full_sequence () const |
std::string const & | global_sequence () const |
utility::vector1< Size > const & | global_mapping () const |
std::map< Size, std::string > const & | non_standard_residue_map () const |
std::map< Size, std::string > & | non_standard_residue_map_nonconst () |
std::string | full_annotated_sequence () const |
utility::vector1< int > const & | conventional_numbering () const |
utility::vector1< char > const & | conventional_chains () const |
utility::vector1< std::string > const & | conventional_segids () const |
void | set_conventional_numbering (utility::vector1< int > const &setting) |
void | set_conventional_chains (utility::vector1< char > const &setting) |
void | set_conventional_segids (utility::vector1< std::string > const &setting) |
void | set_non_standard_residue_map (std::map< Size, std::string > const &setting) |
void | set_parameter (FullModelParameterType const type, utility::vector1< Size > const &setting) |
void | set_parameter_as_res_list (FullModelParameterType const type, utility::vector1< Size > const &setting) |
void | set_parameter_as_res_lists (FullModelParameterType const type, std::map< Size, utility::vector1< Size > > const &setting) |
void | set_parameter_as_res_list_in_pairs (FullModelParameterType const type, utility::vector1< Size > const &setting) |
utility::vector1< Size > const & | get_res_list (FullModelParameterType const type, Size const value) const |
utility::vector1< Size > const & | get_res_list (FullModelParameterType const type) const |
utility::vector1< std::pair< Size, Size > > | get_res_list_as_pairs (FullModelParameterType const type) const |
utility::vector1< Size > const & | get_parameter (FullModelParameterType const type) const |
std::map< Size, utility::vector1< Size > > const & | get_parameter_as_res_lists (FullModelParameterType const type) const |
utility::vector1< Size > | conventional_to_full (utility::vector1< int > const &res_list) const |
utility::vector1< Size > | conventional_to_full (std::tuple< utility::vector1< int >, utility::vector1< char >, utility::vector1< std::string > > const &resnum_and_chain_and_segid) const |
bool | has_conventional_residue (int const res_num) const |
bool | has_conventional_residue (int const res_num, char const chain, std::string const &segid=" ") const |
Size | conventional_to_full (int const res_num) const |
Size | conventional_to_full (int const res_num, char const chain, std::string const &segid=" ") const |
utility::vector1< int > | full_to_conventional (utility::vector1< Size > const &res_list) const |
int | full_to_conventional (Size const res_num) const |
std::tuple< utility::vector1< int >, utility::vector1< char >, utility::vector1< std::string > > | full_to_conventional_resnum_and_chain_and_segid (utility::vector1< Size > const &res_list) const |
std::tuple< int, char, std::string > | full_to_conventional_resnum_and_chain_and_segid (Size const res_num) const |
utility::vector1< Size > | chains_in_full_model () const |
Size | size () const |
void | read_cst_file (std::string const &cst_file) |
scoring::constraints::ConstraintSetCOP | cst_set () const |
void | update_pose_and_cst_set_from_cst_string (chemical::ResidueTypeSet const &rsd_type_set) const |
Pose const & | full_model_pose_for_constraints () const |
void | set_cst_string (std::string const &setting) |
std::string | cst_string () const |
void | set_slice_res_list (utility::vector1< Size > const &setting) |
utility::vector1< Size > const & | slice_res_list () const |
void | set_parent_full_model_parameters (FullModelParametersCOP setting) |
FullModelParametersCOP | parent_full_model_parameters () const |
void | read_global_seq_info (std::string const &global_seq_file) |
void | read_disulfides (std::string const &disulfide_file) |
Private Member Functions | |
void | fill_parameter_values (utility::vector1< Size > ¶meter_values_at_res, Size const idx, utility::vector1< Size > const &res_list) const |
std::map< Size, utility::vector1< Size > > | convert_to_res_lists_by_value (utility::vector1< Size > const ¶meter_values_at_res) |
utility::vector1< Size > | convert_to_parameter_values_at_res (utility::vector1< Size > const &res_list) |
utility::vector1< Size > | convert_to_parameter_values_at_res (std::map< Size, utility::vector1< Size > > const &res_lists) |
void | get_sequence_with_gaps_filled_with_n (pose::Pose const &pose, std::string &sequence, utility::vector1< int > &conventional_numbering, utility::vector1< char > &conventional_chains, utility::vector1< std::string > &conventional_segids, utility::vector1< Size > &res_list) const |
utility::vector1< Size > | get_cutpoint_open_from_pdb_info (pose::Pose const &pose, utility::vector1< Size > const &res_list) const |
void | keep_chain_and_cutpoint_open_matched (FullModelParameterType const &type) |
Private Attributes | |
std::string | full_sequence_ |
std::string | global_sequence_ |
utility::vector1< Size > | global_mapping_ |
utility::vector1< int > | conventional_numbering_ |
utility::vector1< char > | conventional_chains_ |
utility::vector1< std::string > | conventional_segids_ |
std::map< Size, std::string > | non_standard_residue_map_ |
std::string | cst_string_ |
core::scoring::constraints::ConstraintSetCOP | cst_set_ |
pose::PoseCOP | full_model_pose_for_constraints_ |
std::map< FullModelParameterType, utility::vector1< Size > > | parameter_values_at_res_ |
std::map< FullModelParameterType, std::map< Size, utility::vector1< Size > > > | parameter_values_as_res_lists_ |
utility::vector1< Size > | slice_res_list_ |
FullModelParametersCOP | parent_full_model_parameters_ |
Friends | |
std::istream & | operator>> (std::istream &is, FullModelParameters &t) |
input operator More... | |
std::ostream & | operator<< (std::ostream &os, FullModelParameters const &t) |
output operator More... | |
bool | operator== (FullModelParameters const &a, FullModelParameters const &b) |
equal to operator More... | |
bool | operator!= (FullModelParameters const &a, FullModelParameters const &b) |
not equal to operator More... | |
core::pose::full_model_info::FullModelParameters::FullModelParameters | ( | ) |
References core::pose::full_model_info::initialize_parameters().
Referenced by slice().
core::pose::full_model_info::FullModelParameters::FullModelParameters | ( | std::string const & | full_sequence | ) |
core::pose::full_model_info::FullModelParameters::FullModelParameters | ( | std::string const & | full_sequence, |
utility::vector1< Size > const & | cutpoint_open_in_full_model, | ||
utility::vector1< Size > const & | res_numbers_in_pose | ||
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References conventional_chains_, conventional_numbering_, conventional_segids_, convert_to_parameter_values_at_res(), core::pose::full_model_info::CUTPOINT_OPEN, core::pose::full_model_info::FIXED_DOMAIN, full_sequence(), core::pose::full_model_info::initialize_parameters(), core::pose::full_model_info::INPUT_DOMAIN, core::pose::rna::remove_bracketed(), set_parameter(), and core::pose::full_model_info::WORKING.
core::pose::full_model_info::FullModelParameters::FullModelParameters | ( | pose::Pose const & | pose, |
utility::vector1< Size > & | res_list | ||
) |
References conventional_chains_, conventional_numbering_, conventional_segids_, convert_to_parameter_values_at_res(), core::pose::full_model_info::CUTPOINT_OPEN, core::pose::full_model_info::FIXED_DOMAIN, full_sequence_, get_cutpoint_open_from_pdb_info(), get_sequence_with_gaps_filled_with_n(), core::pose::full_model_info::initialize_parameters(), core::pose::full_model_info::INPUT_DOMAIN, set_parameter(), and core::pose::full_model_info::WORKING.
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utility::vector1< Size > core::pose::full_model_info::FullModelParameters::chains_in_full_model | ( | ) | const |
References core::pose::full_model_info::CUTPOINT_OPEN, core::pose::full_model_info::get_chains_from_cutpoint_open(), get_parameter(), and size().
Referenced by slice().
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References conventional_chains_.
Referenced by get_sequence_with_gaps_filled_with_n().
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References conventional_numbering_.
Referenced by get_sequence_with_gaps_filled_with_n().
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References conventional_segids_.
Referenced by get_sequence_with_gaps_filled_with_n().
Size core::pose::full_model_info::FullModelParameters::conventional_to_full | ( | int const | res_num | ) | const |
References conventional_numbering_.
Size core::pose::full_model_info::FullModelParameters::conventional_to_full | ( | int const | res_num, |
char const | chain, | ||
std::string const & | segid = " " |
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) | const |
References conventional_chains_, conventional_numbering_, conventional_segids_, and core::pose::TR().
utility::vector1< Size > core::pose::full_model_info::FullModelParameters::conventional_to_full | ( | std::tuple< utility::vector1< int >, utility::vector1< char >, utility::vector1< std::string > > const & | resnum_and_chain_and_segid | ) | const |
References conventional_to_full().
utility::vector1< Size > core::pose::full_model_info::FullModelParameters::conventional_to_full | ( | utility::vector1< int > const & | res_list | ) | const |
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References fill_parameter_values(), and size().
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References fill_parameter_values(), and size().
Referenced by FullModelParameters(), set_parameter_as_res_list(), and set_parameter_as_res_lists().
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References size().
Referenced by set_parameter().
scoring::constraints::ConstraintSetCOP core::pose::full_model_info::FullModelParameters::cst_set | ( | ) | const |
References cst_set_.
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References cst_string_.
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References size().
Referenced by convert_to_parameter_values_at_res().
std::string core::pose::full_model_info::FullModelParameters::full_annotated_sequence | ( | ) | const |
References full_sequence_, and non_standard_residue_map_.
Pose const & core::pose::full_model_info::FullModelParameters::full_model_pose_for_constraints | ( | ) | const |
References full_model_pose_for_constraints_.
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int core::pose::full_model_info::FullModelParameters::full_to_conventional | ( | Size const | res_num | ) | const |
References conventional_numbering_.
utility::vector1< int > core::pose::full_model_info::FullModelParameters::full_to_conventional | ( | utility::vector1< Size > const & | res_list | ) | const |
std::tuple< int, char, std::string > core::pose::full_model_info::FullModelParameters::full_to_conventional_resnum_and_chain_and_segid | ( | Size const | res_num | ) | const |
References conventional_chains_, conventional_numbering_, and conventional_segids_.
std::tuple< utility::vector1< int >, utility::vector1< char >, utility::vector1< std::string > > core::pose::full_model_info::FullModelParameters::full_to_conventional_resnum_and_chain_and_segid | ( | utility::vector1< Size > const & | res_list | ) | const |
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utility::vector1< Size > const & core::pose::full_model_info::FullModelParameters::get_parameter | ( | FullModelParameterType const | type | ) | const |
References parameter_values_at_res_.
Referenced by chains_in_full_model(), and slice().
std::map< Size, utility::vector1< Size > > const & core::pose::full_model_info::FullModelParameters::get_parameter_as_res_lists | ( | FullModelParameterType const | type | ) | const |
References parameter_values_as_res_lists_.
Referenced by get_res_list_as_pairs().
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References get_res_list().
Referenced by get_res_list().
utility::vector1< Size > const & core::pose::full_model_info::FullModelParameters::get_res_list | ( | FullModelParameterType const | type, |
Size const | value | ||
) | const |
References parameter_values_as_res_lists_.
utility::vector1< std::pair< Size, Size > > core::pose::full_model_info::FullModelParameters::get_res_list_as_pairs | ( | FullModelParameterType const | type | ) | const |
References get_parameter_as_res_lists().
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References global_mapping_.
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References global_sequence_.
bool core::pose::full_model_info::FullModelParameters::has_conventional_residue | ( | int const | res_num | ) | const |
References conventional_numbering_.
Referenced by protocols::stepwise::modeler::align::StepWisePoseAligner::get_res_list_in_reference().
bool core::pose::full_model_info::FullModelParameters::has_conventional_residue | ( | int const | res_num, |
char const | chain, | ||
std::string const & | segid = " " |
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) | const |
References conventional_chains_, conventional_numbering_, and conventional_segids_.
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References non_standard_residue_map_.
Referenced by protocols::magnesium::MgHydrater::update_full_model_info_with_new_waters().
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References non_standard_residue_map_.
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References parent_full_model_parameters_.
void core::pose::full_model_info::FullModelParameters::read_cst_file | ( | std::string const & | cst_file | ) |
References cst_set_, cst_string_, and full_model_pose_for_constraints_.
void core::pose::full_model_info::FullModelParameters::read_disulfides | ( | std::string const & | disulfide_file | ) |
void core::pose::full_model_info::FullModelParameters::read_global_seq_info | ( | std::string const & | global_seq_file | ) |
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References conventional_chains_.
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References conventional_numbering_.
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References conventional_segids_.
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References cst_string_.
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References non_standard_residue_map_.
void core::pose::full_model_info::FullModelParameters::set_parameter | ( | FullModelParameterType const | type, |
utility::vector1< Size > const & | setting | ||
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void core::pose::full_model_info::FullModelParameters::set_parameter_as_res_list | ( | FullModelParameterType const | type, |
utility::vector1< Size > const & | setting | ||
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References convert_to_parameter_values_at_res(), and set_parameter().
Referenced by core::pose::full_model_info::initialize_parameters().
void core::pose::full_model_info::FullModelParameters::set_parameter_as_res_list_in_pairs | ( | FullModelParameterType const | type, |
utility::vector1< Size > const & | setting | ||
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References set_parameter(), and size().
Referenced by read_disulfides().
void core::pose::full_model_info::FullModelParameters::set_parameter_as_res_lists | ( | FullModelParameterType const | type, |
std::map< Size, utility::vector1< Size > > const & | setting | ||
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References convert_to_parameter_values_at_res(), and set_parameter().
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References parent_full_model_parameters_.
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References slice_res_list_.
Size core::pose::full_model_info::FullModelParameters::size | ( | ) | const |
References full_sequence_, and core::pose::rna::remove_bracketed().
Referenced by chains_in_full_model(), convert_to_parameter_values_at_res(), convert_to_res_lists_by_value(), fill_parameter_values(), read_disulfides(), set_parameter_as_res_list_in_pairs(), and protocols::magnesium::MgHydrater::update_full_model_info_with_new_waters().
FullModelParametersOP core::pose::full_model_info::FullModelParameters::slice | ( | utility::vector1< Size > const & | slice_res | ) | const |
References chains_in_full_model(), conventional_chains_, conventional_numbering_, conventional_segids_, cst_string_, core::pose::full_model_info::CUTPOINT_OPEN, full_sequence_, FullModelParameters(), core::pose::full_model_info::get_cutpoint_open_from_chains(), get_parameter(), core::pose::full_model_info::LAST_TYPE, non_standard_residue_map_, parent_full_model_parameters_, core::chemical::rings::q, and slice_res_list_.
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References slice_res_list_.
void core::pose::full_model_info::FullModelParameters::update_pose_and_cst_set_from_cst_string | ( | chemical::ResidueTypeSet const & | rsd_type_set | ) | const |
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not equal to operator
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Nice one-line format summarizing everything in FullModelParameters.
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Read in of one-line format for FullModelParameters – better be exact reverse of <<
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Referenced by cst_set(), read_cst_file(), and update_pose_and_cst_set_from_cst_string().
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Referenced by cst_string(), read_cst_file(), set_cst_string(), slice(), and update_pose_and_cst_set_from_cst_string().
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Referenced by full_model_pose_for_constraints(), read_cst_file(), and update_pose_and_cst_set_from_cst_string().
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Referenced by global_mapping(), and read_global_seq_info().
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Referenced by global_sequence(), and read_global_seq_info().
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Referenced by get_parameter_as_res_lists(), get_res_list(), and set_parameter().
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Referenced by get_parameter(), and set_parameter().
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Referenced by parent_full_model_parameters(), set_parent_full_model_parameters(), and slice().
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Referenced by set_slice_res_list(), slice(), and slice_res_list().