![]() |
Rosetta Core
2014.16.56682
|
#include <SilentStruct.hh>
Public Member Functions | |
| SilentStruct () | |
| virtual | ~SilentStruct () |
| SilentStruct (SilentStruct const &) | |
| SilentStruct & | operator= (SilentStruct const &) |
| virtual SilentStructOP | clone () const =0 |
| virtual void | fill_pose (core::pose::Pose &pose) const |
| virtual void | fill_pose (core::pose::Pose &pose, core::chemical::ResidueTypeSet const &residue_set) const |
| Fill a Pose with the conformation information in this SilentStruct and the ResidueTypeSet provided by the caller. This is a virtual method which should be implemented by classes derived from SilentStruct. More... | |
| void | set_tag_from_pose (const core::pose::Pose &pose) |
| Sets the tag from the Pose DataCache. More... | |
| void | precision (core::Size precision) |
| core::Size | precision () const |
| void | scoreline_prefix (std::string const &prefix) |
| std::string | scoreline_prefix () const |
| virtual void | fill_struct (core::pose::Pose const &pose, std::string tag="empty_tag") |
| opposite of fill_pose – superclass provides functionality used by most SilentStruct types, and is optionally called at the beginning of the subclass's fill_struct method. As of this writing, used only by protein SilentStructs More... | |
| void | finish_pose (core::pose::Pose &pose) const |
| calls optH if command line requests optH. must be called by derived classes. More... | |
| virtual Real | get_debug_rmsd ()=0 |
| Do some sort of comparison between the actual RMSD of this silent-struct and the cached coordinates. Used for SilentStruct objects that are rebuild from torsions or other reduced representations of data. More... | |
| virtual void | print_header (std::ostream &out) const |
| print out a header line to the given ozstream. In a rosetta++ silent-file, this contained the lines: SEQUENCE: <protein sequence>="">: | |
| virtual void | print_score_header (std::ostream &out) const |
| only print SCORE: header line More... | |
| virtual void | print_scores (std::ostream &out) const |
| print out a SCORE line to the given ozstream. More... | |
| virtual void | print_conformation (std::ostream &out) const =0 |
| print the conformation information in SilentStruct to out. More... | |
| virtual void | print_comments (std::ostream &out) const |
| print the comments in this SilentStruct. More... | |
| virtual void | print_residue_numbers (std::ostream &out) const |
| print the resnum in this SilentStruct, if filled. More... | |
| virtual Size | nres () const |
| returns the number of residues contained by this SilentStruct. More... | |
| void | set_decoy_tag (std::string const &tag) |
| set the tag associate with this SilentStruct More... | |
| std::string | decoy_tag () const |
| returns the tag associated with this SilentStruct. More... | |
| core::sequence::AnnotatedSequence const & | sequence () const |
| returns the sequence associated with this SilentStruct. More... | |
| void | nres (Size nres) |
| returns the number of residues in this SilentStruct. More... | |
| void | decoy_tag (std::string const &tag) |
| sets the tag associated with this SilentStruct. More... | |
| void | sequence (core::sequence::AnnotatedSequence const &sequence) |
| sets the sequence for this SilentStruct. More... | |
| void | silent_energies (utility::vector1< SilentEnergy > const &new_se) |
| sets the silent_energies for this SilentStruct. More... | |
| void | sort_silent_scores () |
| sort all the silent energies by their name. More... | |
| bool | has_energy (std::string const scorename) const |
| returns true if this SilentStruct has an energy for the given scorename, returns false otherwise. More... | |
| core::Real | get_energy (std::string const &scorename) const |
| Returns the energy associated with the given scorename if this SilentStruct has an energy for that scorename. Otherwise returns 0. More... | |
| std::string const & | get_string_value (std::string const &scorename) const |
| Returns the energy associated with the given scorename if this SilentStruct has an energy for that scorename. Otherwise returns 0. More... | |
| SilentEnergy const & | get_silent_energy (std::string const &scorename) const |
| Returns the SilentEnergy associated with this scorename. More... | |
| utility::vector1< SilentEnergy > | get_silent_energies () |
| void | set_valid_energies (utility::vector1< std::string > valid) |
| virtual void | clear_energies () |
| Clear all of the energies in the SilentStruct. Doesn't just zero the energies, it entirely removes all knowledge of all energies from this SilentStruct. More... | |
| virtual bool | init_from_lines (utility::vector1< std::string > const &lines, SilentFileData &container)=0 |
| Create a new SilentStruct object from the provided set of lines. This abstract method should be overwritten by derived classes. Returns false if the init_from_lines routine encounters a problem with the lines provided. More... | |
| void | add_energy (std::string scorename, Real value, Real weight=1.0) |
| add a score of a given name and value to this SilentStruct. Takes an optional weight that defaults to 1.0. More... | |
| void | add_string_value (std::string scorename, std::string const &value) |
| add a non-floating point score of a given name and value to this SilentStruct. More... | |
| void | copy_scores (const SilentStruct &src_ss) |
| Copy the score information in the given SilentStruct into this SilentStruct. More... | |
| void | add_comment (std::string name, std::string value) |
| add a named comment to this SilentStruct object. Similar to methods for playing with energies, but mapping is string => string rather than string => Real. More... | |
| bool | has_comment (std::string const &name) const |
| std::string | get_comment (std::string const &name) const |
| void | comment_from_line (std::string const &line) |
| void | erase_comment (std::string const &name) |
| void | clear_comments () |
| std::map< std::string, std::string > | get_all_comments () const |
| void | parse_energies (std::istream &input, utility::vector1< std::string > const &energy_names) |
| void | energies_from_pose (core::pose::Pose const &pose) |
| Initialize this SilentStruct's energies from the given Pose. This sets energies, energy weights, and the output widths for the energies. More... | |
| void | energies_into_pose (core::pose::Pose &pose) const |
| Put the energy information from this SilentStruct into the pose. Energies that correspond to a ScoreType are put into the pose.energies().total_energies() EnergyMap, all other energies are put into the ARBITRARY_FLOAT_DATA map in the pose DataCache. Also sets the scorefxn_weights in the Energies object using the information from this SilentStruct. More... | |
| virtual ObjexxFCL::FArray2D< Real > | get_CA_xyz () const =0 |
| returns the positions of the CA atoms in this ProteinSilentStruct. Useful for RMS calculations. More... | |
| utility::vector1< SilentEnergy > | energies () const |
| Returns the vector of SilentEnergy objects associated with this SilentStruct object. More... | |
| EnergyNames | energy_names () const |
| Returns the EnergyNames that this SilentStruct contains. More... | |
| void | rename_energies () |
| bool | read_sequence (std::string const &line) |
| void | read_score_headers (std::string const &line, utility::vector1< std::string > &enames, SilentFileData &container) |
| std::string | one_letter_sequence () const |
| strip [...] comment from seqeunce_ and return pure one-letter sequence More... | |
| virtual core::Size | mem_footprint () const |
| void | print_parent_remarks (std::ostream &out) const |
| std::string | get_parent_remark (std::string const &name) const |
| bool | has_parent_remark (std::string const &name) const |
| void | add_parent_remark (std::string const name, std::string const value) |
| void | get_parent_remark_from_line (std::string const line) |
| void | set_residue_numbers (utility::vector1< Size > const &residue_numbers) |
| void | set_chains (utility::vector1< char > const &chains) |
| void | fill_struct_with_residue_numbers (pose::Pose const &pose) |
| void | residue_numbers_into_pose (pose::Pose &pose) const |
| void | figure_out_residue_numbers_from_line (std::istream &line_stream) |
Protected Member Functions | |
| void | detect_fullatom (core::Size pos, core::Size natoms, bool &fullatom, bool &well_defined) |
| @ brief helper to detect fullatom input More... | |
| void | extract_writeable_cacheable_data (core::pose::Pose const &pose) |
| add string serialization of all WriteableCacheableData in as comments. More... | |
Private Types | |
| typedef std::string | string |
Private Member Functions | |
| void | update_score () |
| Updates the "score" entry in the silent_energies. More... | |
Private Attributes | |
| bool | strict_column_mode_ |
| Size | nres_ |
| std::string | decoy_tag_ |
| core::sequence::AnnotatedSequence | sequence_ |
| std::map< std::string, std::string > | parent_remarks_map_ |
| std::map< std::string, std::string > | silent_comments_ |
| utility::vector1< SilentEnergy > | silent_energies_ |
| utility::vector1< std::string > | cache_remarks_ |
| utility::vector1< Size > | residue_numbers_ |
| utility::vector1< char > | chains_ |
| core::Size | precision_ |
| std::string | scoreline_prefix_ |
|
private |
| core::io::silent::SilentStruct::SilentStruct | ( | ) |
|
virtual |
| core::io::silent::SilentStruct::SilentStruct | ( | SilentStruct const & | src | ) |
| void core::io::silent::SilentStruct::add_comment | ( | std::string | name, |
| std::string | value | ||
| ) |
add a named comment to this SilentStruct object. Similar to methods for playing with energies, but mapping is string => string rather than string => Real.
References cache_remarks_, silent_comments_, and core::io::silent::tr.
Referenced by comment_from_line(), energies_from_pose(), extract_writeable_cacheable_data(), and core::io::silent::BinarySilentStruct::init_from_lines().
| void core::io::silent::SilentStruct::add_energy | ( | std::string | scorename, |
| Real | value, | ||
| Real | weight = 1.0 |
||
| ) |
add a score of a given name and value to this SilentStruct. Takes an optional weight that defaults to 1.0.
References core::sequence::end, and silent_energies_.
Referenced by core::io::silent::RNA_SilentStruct::init_from_lines(), and parse_energies().
| void core::io::silent::SilentStruct::add_parent_remark | ( | std::string const | name, |
| std::string const | value | ||
| ) |
References parent_remarks_map_, and core::io::silent::tr.
Referenced by get_parent_remark_from_line().
| void core::io::silent::SilentStruct::add_string_value | ( | std::string | scorename, |
| std::string const & | value | ||
| ) |
add a non-floating point score of a given name and value to this SilentStruct.
References core::sequence::end, and silent_energies_.
Referenced by energies_from_pose(), and parse_energies().
| void core::io::silent::SilentStruct::clear_comments | ( | ) |
References silent_comments_.
|
inlinevirtual |
Clear all of the energies in the SilentStruct. Doesn't just zero the energies, it entirely removes all knowledge of all energies from this SilentStruct.
References silent_energies_.
Referenced by energies_from_pose().
|
pure virtual |
Implemented in core::io::silent::RNA_SilentStruct, core::io::silent::ProteinSilentStruct_Template< T >, core::io::silent::BinarySilentStruct, core::io::silent::ScoreJumpFileSilentStruct, core::import_pose::PDBSilentStruct, and core::io::silent::ScoreFileSilentStruct.
Referenced by core::io::silent::SilentFileData::add_structure().
| void core::io::silent::SilentStruct::comment_from_line | ( | std::string const & | line | ) |
References add_comment(), key, and core::io::silent::tr.
| void core::io::silent::SilentStruct::copy_scores | ( | const SilentStruct & | src_ss | ) |
Copy the score information in the given SilentStruct into this SilentStruct.
References core::sequence::end, and silent_energies_.
|
inline |
returns the tag associated with this SilentStruct.
References decoy_tag_.
Referenced by core::io::silent::BinarySilentStruct::BinarySilentStruct(), fill_struct(), core::io::silent::RNA_SilentStruct::fill_struct(), core::io::silent::BinarySilentStruct::init_from_lines(), core::io::silent::RNA_SilentStruct::init_from_lines(), parse_energies(), core::import_pose::PDBSilentStruct::PDBSilentStruct(), core::io::silent::BinarySilentStruct::print_conformation(), core::io::silent::RNA_SilentStruct::print_conformation(), print_residue_numbers(), print_score_header(), print_scores(), core::io::silent::ProteinSilentStruct_Template< T >::ProteinSilentStruct_Template(), core::io::silent::RNA_SilentStruct::RNA_SilentStruct(), core::io::silent::ScoreFileSilentStruct::ScoreFileSilentStruct(), core::io::silent::ScoreJumpFileSilentStruct::ScoreJumpFileSilentStruct(), and set_tag_from_pose().
|
inline |
sets the tag associated with this SilentStruct.
References decoy_tag_.
|
protected |
@ brief helper to detect fullatom input
@ brief helper to detect fullatom input @ detail
References core::chemical::aa_vrt, core::chemical::num_canonical_aas, core::sequence::AnnotatedSequence::one_letter(), sequence(), and core::io::silent::tr.
Referenced by core::io::silent::BinarySilentStruct::init_from_lines().
|
inline |
Returns the vector of SilentEnergy objects associated with this SilentStruct object.
References silent_energies_.
Referenced by energies_into_pose(), and energy_names().
| void core::io::silent::SilentStruct::energies_from_pose | ( | core::pose::Pose const & | pose | ) |
Initialize this SilentStruct's energies from the given Pose. This sets energies, energy weights, and the output widths for the energies.
References add_comment(), add_string_value(), clear_energies(), core::pose::Pose::data(), core::sequence::end, core::pose::Pose::energies(), core::pose::get_all_comments(), core::pose::get_all_score_line_strings(), basic::datacache::BasicDataCache::get_raw_const_ptr(), basic::datacache::BasicDataCache::has(), core::scoring::name_from_score_type(), silent_energies_, core::scoring::Energies::total_energies(), core::io::silent::tr, update_score(), and core::scoring::Energies::weights().
Referenced by fill_struct(), and core::io::silent::RNA_SilentStruct::fill_struct().
| void core::io::silent::SilentStruct::energies_into_pose | ( | core::pose::Pose & | pose | ) | const |
Put the energy information from this SilentStruct into the pose. Energies that correspond to a ScoreType are put into the pose.energies().total_energies() EnergyMap, all other energies are put into the ARBITRARY_FLOAT_DATA map in the pose DataCache. Also sets the scorefxn_weights in the Energies object using the information from this SilentStruct.
References core::pose::add_comment(), core::pose::add_score_line_string(), core::pose::Pose::data(), core::sequence::end, energies(), core::pose::Pose::energies(), get_all_comments(), basic::datacache::BasicDataCache::get_raw_ptr(), basic::datacache::BasicDataCache::has(), option, runtime_assert, core::scoring::score_type_from_name(), basic::datacache::BasicDataCache::set(), in::file::silent_score_prefix, in::file::silent_scores_wanted, core::scoring::Energies::total_energies(), core::io::silent::tr, user, weights, and core::scoring::Energies::weights().
Referenced by finish_pose().
| EnergyNames core::io::silent::SilentStruct::energy_names | ( | ) | const |
Returns the EnergyNames that this SilentStruct contains.
References core::sequence::end, energies(), and core::io::silent::EnergyNames::energy_names().
Referenced by core::io::silent::SilentFileData::write_silent_struct().
| void core::io::silent::SilentStruct::erase_comment | ( | std::string const & | name | ) |
References silent_comments_.
|
protected |
add string serialization of all WriteableCacheableData in as comments.
| pose | a pose containing a datacache with WriteableCacheableData. |
References add_comment(), core::pose::Pose::data(), basic::datacache::DataMap::get(), and ss.
Referenced by fill_struct().
| void core::io::silent::SilentStruct::figure_out_residue_numbers_from_line | ( | std::istream & | line_stream | ) |
|
virtual |
|
virtual |
Fill a Pose with the conformation information in this SilentStruct and the ResidueTypeSet provided by the caller. This is a virtual method which should be implemented by classes derived from SilentStruct.
Fill a Pose with the conformation information in this SilentStruct and the ResidueTypeSet provided by the caller. This is a virtual method which must be implemented by classes derived from SilentStruct.
Reimplemented in core::io::silent::RNA_SilentStruct, core::io::silent::ProteinSilentStruct_Template< T >, core::io::silent::BinarySilentStruct, core::import_pose::PDBSilentStruct, core::io::silent::ScoreJumpFileSilentStruct, and core::io::silent::ScoreFileSilentStruct.
References core::io::silent::tr.
|
virtual |
opposite of fill_pose – superclass provides functionality used by most SilentStruct types, and is optionally called at the beginning of the subclass's fill_struct method. As of this writing, used only by protein SilentStructs
Reimplemented in core::io::silent::RNA_SilentStruct, core::io::silent::ProteinSilentStruct_Template< T >, core::io::silent::BinarySilentStruct, core::import_pose::PDBSilentStruct, core::io::silent::ScoreJumpFileSilentStruct, and core::io::silent::ScoreFileSilentStruct.
References core::pose::Pose::annotated_sequence(), decoy_tag(), energies_from_pose(), extract_writeable_cacheable_data(), sequence(), set_tag_from_pose(), and core::io::silent::tr.
Referenced by core::io::silent::BinarySilentStruct::fill_struct(), and core::io::silent::ProteinSilentStruct_Template< T >::fill_struct().
| void core::io::silent::SilentStruct::fill_struct_with_residue_numbers | ( | pose::Pose const & | pose | ) |
| void core::io::silent::SilentStruct::finish_pose | ( | core::pose::Pose & | pose | ) | const |
calls optH if command line requests optH. must be called by derived classes.
References cache_remarks_, core::pose::Pose::data(), energies_into_pose(), basic::datacache::WriteableCacheableMap::insert(), in::file::keep_input_scores, option, core::pose::Pose::pdb_info(), residue_numbers_into_pose(), basic::datacache::BasicDataCache::set(), core::io::silent::tr, and core::pose::datacache::CacheableDataType::WRITEABLE_DATA.
Referenced by core::io::silent::BinarySilentStruct::fill_pose(), and core::io::silent::RNA_SilentStruct::fill_pose().
| std::map< std::string, std::string > core::io::silent::SilentStruct::get_all_comments | ( | ) | const |
References silent_comments_.
Referenced by energies_into_pose().
|
pure virtual |
returns the positions of the CA atoms in this ProteinSilentStruct. Useful for RMS calculations.
Implemented in core::io::silent::ProteinSilentStruct_Template< T >, core::io::silent::RNA_SilentStruct, core::import_pose::PDBSilentStruct, core::io::silent::BinarySilentStruct, core::io::silent::ScoreJumpFileSilentStruct, and core::io::silent::ScoreFileSilentStruct.
| std::string core::io::silent::SilentStruct::get_comment | ( | std::string const & | name | ) | const |
References silent_comments_.
|
pure virtual |
Do some sort of comparison between the actual RMSD of this silent-struct and the cached coordinates. Used for SilentStruct objects that are rebuild from torsions or other reduced representations of data.
Implemented in core::io::silent::ProteinSilentStruct_Template< T >, core::io::silent::RNA_SilentStruct, core::io::silent::BinarySilentStruct, core::import_pose::PDBSilentStruct, core::io::silent::ScoreJumpFileSilentStruct, and core::io::silent::ScoreFileSilentStruct.
| core::Real core::io::silent::SilentStruct::get_energy | ( | std::string const & | scorename | ) | const |
Returns the energy associated with the given scorename if this SilentStruct has an energy for that scorename. Otherwise returns 0.
References get_silent_energy(), has_energy(), and core::io::silent::SilentEnergy::value().
| std::string core::io::silent::SilentStruct::get_parent_remark | ( | std::string const & | name | ) | const |
References parent_remarks_map_, and utility_exit_with_message.
| void core::io::silent::SilentStruct::get_parent_remark_from_line | ( | std::string const | line | ) |
References add_parent_remark(), key, and utility_exit_with_message.
|
inline |
References silent_energies_.
| SilentEnergy const & core::io::silent::SilentStruct::get_silent_energy | ( | std::string const & | scorename | ) | const |
Returns the SilentEnergy associated with this scorename.
References core::sequence::end, has_energy(), and silent_energies_.
Referenced by get_energy(), get_string_value(), and set_valid_energies().
| std::string const & core::io::silent::SilentStruct::get_string_value | ( | std::string const & | scorename | ) | const |
Returns the energy associated with the given scorename if this SilentStruct has an energy for that scorename. Otherwise returns 0.
References get_silent_energy(), has_energy(), and core::io::silent::SilentEnergy::string_value().
| bool core::io::silent::SilentStruct::has_comment | ( | std::string const & | name | ) | const |
References silent_comments_.
| bool core::io::silent::SilentStruct::has_energy | ( | std::string const | scorename | ) | const |
returns true if this SilentStruct has an energy for the given scorename, returns false otherwise.
References core::sequence::end, and silent_energies_.
Referenced by get_energy(), get_silent_energy(), get_string_value(), and set_valid_energies().
| bool core::io::silent::SilentStruct::has_parent_remark | ( | std::string const & | name | ) | const |
References parent_remarks_map_.
|
pure virtual |
Create a new SilentStruct object from the provided set of lines. This abstract method should be overwritten by derived classes. Returns false if the init_from_lines routine encounters a problem with the lines provided.
Implemented in core::io::silent::RNA_SilentStruct, core::io::silent::ProteinSilentStruct_Template< T >, core::io::silent::BinarySilentStruct, core::io::silent::ScoreJumpFileSilentStruct, core::import_pose::PDBSilentStruct, and core::io::silent::ScoreFileSilentStruct.
|
inlinevirtual |
Reimplemented in core::io::silent::ProteinSilentStruct_Template< T >.
|
inlinevirtual |
returns the number of residues contained by this SilentStruct.
References nres_.
Referenced by core::io::silent::BinarySilentStruct::add_chain_ending(), core::io::silent::BinarySilentStruct::BinarySilentStruct(), core::io::silent::BinarySilentStruct::CA_rmsd(), core::io::silent::RNA_SilentStruct::CA_rmsd(), core::io::silent::BinarySilentStruct::chain_endings(), core::io::silent::BinarySilentStruct::fill_pose(), core::io::silent::RNA_SilentStruct::fill_pose(), core::io::silent::BinarySilentStruct::get_CA_xyz(), core::io::silent::RNA_SilentStruct::get_CA_xyz(), core::io::silent::BinarySilentStruct::init_from_lines(), core::io::silent::RNA_SilentStruct::init_from_lines(), nres(), core::io::silent::ProteinSilentStruct_Template< T >::operator=(), core::io::silent::BinarySilentStruct::print_conformation(), core::io::silent::RNA_SilentStruct::print_conformation(), core::io::silent::ProteinSilentStruct_Template< T >::ProteinSilentStruct_Template(), core::io::silent::BinarySilentStruct::resize(), core::io::silent::RNA_SilentStruct::resize(), and core::io::silent::RNA_SilentStruct::RNA_SilentStruct().
|
inline |
returns the number of residues in this SilentStruct.
| std::string core::io::silent::SilentStruct::one_letter_sequence | ( | ) | const |
strip [...] comment from seqeunce_ and return pure one-letter sequence
References core::sequence::AnnotatedSequence::one_letter_sequence(), and sequence().
Referenced by core::io::silent::BinarySilentStruct::fill_pose(), core::io::silent::BinarySilentStruct::init_from_lines(), and print_header().
| SilentStruct & core::io::silent::SilentStruct::operator= | ( | SilentStruct const & | src | ) |
References cache_remarks_, chains_, decoy_tag_, nres_, precision_, residue_numbers_, scoreline_prefix_, sequence_, silent_comments_, silent_energies_, and strict_column_mode_.
| void core::io::silent::SilentStruct::parse_energies | ( | std::istream & | input, |
| utility::vector1< std::string > const & | energy_names | ||
| ) |
References add_energy(), add_string_value(), decoy_tag(), tag, and core::io::silent::tr.
Referenced by core::io::silent::BinarySilentStruct::init_from_lines().
| void core::io::silent::SilentStruct::precision | ( | core::Size | precision | ) |
References precision(), and precision_.
| core::Size core::io::silent::SilentStruct::precision | ( | ) | const |
References precision_.
Referenced by precision(), and print_scores().
|
virtual |
print the comments in this SilentStruct.
References cache_remarks_, core::sequence::end, and silent_comments_.
Referenced by print_scores().
|
pure virtual |
print the conformation information in SilentStruct to out.
Implemented in core::io::silent::RNA_SilentStruct, core::io::silent::ProteinSilentStruct_Template< T >, core::io::silent::BinarySilentStruct, core::import_pose::PDBSilentStruct, core::io::silent::ScoreJumpFileSilentStruct, and core::io::silent::ScoreFileSilentStruct.
Referenced by core::io::silent::SilentFileData::write_silent_struct().
|
virtual |
print out a header line to the given ozstream. In a rosetta++ silent-file, this contained the lines: SEQUENCE: <protein sequence>="">:
Reimplemented in core::io::silent::RNA_SilentStruct, core::io::silent::BinarySilentStruct, core::io::silent::ScoreJumpFileSilentStruct, and core::io::silent::ScoreFileSilentStruct.
References one_letter_sequence(), and print_score_header().
Referenced by core::io::silent::SilentFileData::_write_silent_struct(), core::io::silent::ScoreJumpFileSilentStruct::print_header(), core::io::silent::BinarySilentStruct::print_header(), core::io::silent::RNA_SilentStruct::print_header(), and core::io::silent::SilentFileData::write_silent_struct().
| void core::io::silent::SilentStruct::print_parent_remarks | ( | std::ostream & | out | ) | const |
References core::sequence::end, and parent_remarks_map_.
|
virtual |
print the resnum in this SilentStruct, if filled.
References chains_, decoy_tag(), make_tag_with_dashes(), nres_, and residue_numbers_.
Referenced by core::io::silent::SilentFileData::write_silent_struct().
|
virtual |
only print SCORE: header line
References decoy_tag(), core::sequence::end, option, scoreline_prefix(), silent_energies_, tag, user, and out::user_tag.
Referenced by print_header(), and core::io::silent::SilentFileData::write_silent_struct().
|
virtual |
print out a SCORE line to the given ozstream.
References decoy_tag(), core::sequence::end, option, precision(), print_comments(), scoreline_prefix(), silent_energies_, tag, user, out::user_tag, weight, and out::file::weight_silent_scores.
Referenced by core::io::silent::SilentFileData::write_silent_struct().
| void core::io::silent::SilentStruct::read_score_headers | ( | std::string const & | line, |
| utility::vector1< std::string > & | enames, | ||
| SilentFileData & | container | ||
| ) |
| bool core::io::silent::SilentStruct::read_sequence | ( | std::string const & | line | ) |
References sequence(), tag, and core::io::silent::tr.
| void core::io::silent::SilentStruct::rename_energies | ( | ) |
References core::sequence::end, core::init::init(), and silent_energies_.
| void core::io::silent::SilentStruct::residue_numbers_into_pose | ( | pose::Pose & | pose | ) | const |
| void core::io::silent::SilentStruct::scoreline_prefix | ( | std::string const & | prefix | ) |
References scoreline_prefix_.
| std::string core::io::silent::SilentStruct::scoreline_prefix | ( | ) | const |
References scoreline_prefix_.
Referenced by print_score_header(), and print_scores().
|
inline |
returns the sequence associated with this SilentStruct.
References sequence_.
Referenced by detect_fullatom(), core::io::silent::BinarySilentStruct::fill_pose(), core::io::silent::RNA_SilentStruct::fill_pose(), fill_struct(), core::io::silent::RNA_SilentStruct::fill_struct(), core::io::silent::BinarySilentStruct::init_from_lines(), core::io::silent::RNA_SilentStruct::init_from_lines(), one_letter_sequence(), core::io::silent::BinarySilentStruct::print_conformation(), read_score_headers(), read_sequence(), and sequence().
|
inline |
sets the sequence for this SilentStruct.
References sequence(), and sequence_.
|
inline |
References chains_.
Referenced by figure_out_residue_numbers_from_line(), and fill_struct_with_residue_numbers().
|
inline |
set the tag associate with this SilentStruct
References decoy_tag_.
|
inline |
References residue_numbers_.
Referenced by figure_out_residue_numbers_from_line(), and fill_struct_with_residue_numbers().
| void core::io::silent::SilentStruct::set_tag_from_pose | ( | const core::pose::Pose & | pose | ) |
Sets the tag from the Pose DataCache.
References core::pose::Pose::data(), decoy_tag(), basic::datacache::BasicDataCache::get(), basic::datacache::BasicDataCache::has(), and tag.
Referenced by fill_struct().
| void core::io::silent::SilentStruct::set_valid_energies | ( | utility::vector1< std::string > | valid | ) |
References core::sequence::end, get_silent_energy(), has_energy(), core::io::silent::SilentEnergy::name(), and silent_energies().
Referenced by core::io::silent::SilentFileData::write_silent_struct().
|
inline |
sets the silent_energies for this SilentStruct.
References silent_energies_.
Referenced by set_valid_energies().
| void core::io::silent::SilentStruct::sort_silent_scores | ( | ) |
sort all the silent energies by their name.
References silent_energies_, and core::io::silent::SilentEnergy_sort_by_name().
|
private |
Updates the "score" entry in the silent_energies.
References core::sequence::end, runtime_assert, score, and silent_energies_.
Referenced by energies_from_pose().
|
private |
Referenced by add_comment(), finish_pose(), operator=(), and print_comments().
|
private |
Referenced by operator=(), print_residue_numbers(), residue_numbers_into_pose(), and set_chains().
|
private |
Referenced by decoy_tag(), operator=(), and set_decoy_tag().
|
private |
Referenced by fill_pose(), nres(), operator=(), and print_residue_numbers().
|
private |
Referenced by add_parent_remark(), get_parent_remark(), has_parent_remark(), and print_parent_remarks().
|
private |
Referenced by operator=(), and precision().
|
private |
Referenced by operator=(), print_residue_numbers(), residue_numbers_into_pose(), and set_residue_numbers().
|
private |
Referenced by operator=(), and scoreline_prefix().
|
private |
Referenced by operator=(), and sequence().
|
private |
Referenced by add_comment(), clear_comments(), erase_comment(), get_all_comments(), get_comment(), has_comment(), operator=(), and print_comments().
|
private |
Referenced by add_energy(), add_string_value(), clear_energies(), copy_scores(), energies(), energies_from_pose(), get_silent_energies(), get_silent_energy(), has_energy(), operator=(), print_score_header(), print_scores(), rename_energies(), silent_energies(), sort_silent_scores(), and update_score().
|
private |
Referenced by operator=().
1.8.7