Rosetta 3.5
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#include <ArchiveBase.hh>
Public Member Functions | |
DebugArchive (ArchiveManagerAP ptr) | |
virtual bool | add_structure (core::io::silent::SilentStructOP, Batch const &) |
add structure to Archive.. return false if structure is rejected. More... | |
virtual bool | finished () const |
is archive converged ? More... | |
virtual void | generate_batch () |
create a new batch with manager().start_new_batch() and manager().finalize_batch(); More... | |
virtual void | score (core::pose::Pose &pose) const |
virtual void | save_status (std::ostream &) const |
save and restore status of archive to file-system More... | |
virtual void | restore_status (std::istream &) |
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ArchiveBase (ArchiveManagerAP ptr=NULL) | |
~ArchiveBase () | |
virtual void | initialize () |
core::Size | nstruct () const |
how many structures should be in archive .. varies from decoys().size() in startup phase. More... | |
void | set_nstruct (core::Size set) |
set target size of pool More... | |
virtual void | save_to_file (std::string suffix="") |
save and restore archive to file-system More... | |
virtual bool | restore_from_file () |
restore archive More... | |
virtual void | idle () |
called when nothing is happening More... | |
virtual void | init_from_decoy_set (core::io::silent::SilentFileData const &sfd) |
read externally provided structures from decoy_file into archive More... | |
virtual void | read_structures (core::io::silent::SilentFileData &, Batch const &batch) |
SilentFileData contains the new structures belonging to this batch. More... | |
core::Size & | accepts_since_last_batch () |
core::Size | accepts_since_last_batch () const |
core::Size | proposed_since_last_batch () const |
core::Real | current_acceptance_ratio () const |
void | reset_accept_counter () |
core::Size | total_proposed () |
core::Size | total_accepts () |
bool | statistics_valid () |
SilentStructs const & | decoys () const |
SilentStructs & | decoys () |
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virtual | ~AbstractArchiveBase () |
Automatically generated virtual destructor for class deriving directly from ReferenceCount. More... | |
AbstractArchiveBase (ArchiveManagerAP ptr) | |
AbstractArchiveBase () | |
virtual bool | still_interested (jd2::archive::Batch const &) const |
old-batches might be outdated and should not be computed anymore return true for this query if this is the case for old_batch More... | |
void | set_name (std::string const &set) |
set name of archive ( used also for save_to_file and restore_from_file ) More... | |
std::string const & | name () const |
ArchiveManager & | manager () |
access to the ArchiveManager (control of batches) More... | |
virtual void | set_manager (ArchiveManagerAP manager) |
Private Attributes | |
core::Size | ct_batches_ |
core::scoring::ScoreFunctionOP | cen_score_ |
bool | make_mistake_ |
Additional Inherited Members | |
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static void | register_options () |
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typedef std::list < core::io::silent::SilentStructOP > | SilentStructs |
typedef SilentStructs::const_iterator | const_decoy_iterator |
typedef SilentStructs::const_iterator | decoy_iterator |
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virtual void | count_structure (Batch const &batch, bool accepted) |
count the structure for the acceptance statistics only count if not from expired batch More... | |
void | count_removed_structures (core::Size n_removed) |
count the structure for the acceptance statistics only count if not from expired batch More... | |
void | set_max_nstruct (core::Size setting) |
void | add_structure_at_position (SilentStructs::iterator iss, core::io::silent::SilentStructOP new_decoy) |
call to insert structure at position given by iterator More... | |
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static std::string const | TAG_IN_FILE |
static std::string const | SOURCE_FILE |
protocols::jd2::archive::DebugArchive::DebugArchive | ( | ArchiveManagerAP | ptr) |
References cen_score_, and core::scoring::ScoreFunctionFactory::create_score_function().
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virtual |
add structure to Archive.. return false if structure is rejected.
Reimplemented from protocols::jd2::archive::ArchiveBase.
References protocols::jd2::archive::ArchiveBase::decoys(), and core::io::serialization::size().
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inlinevirtual |
is archive converged ?
Reimplemented from protocols::jd2::archive::ArchiveBase.
References ct_batches_.
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virtual |
create a new batch with manager().start_new_batch() and manager().finalize_batch();
Implements protocols::jd2::archive::ArchiveBase.
References protocols::jd2::archive::Batch::broker_file(), protocols::jd2::archive::ArchiveBase::decoys(), core::sequence::end, protocols::jd2::archive::ArchiveManager::finalize_batch(), protocols::jd2::archive::Batch::flag_file(), protocols::jd2::archive::AbstractArchiveBase::manager(), core::io::serialization::size(), and protocols::jd2::tr().
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virtual |
Reimplemented from protocols::jd2::archive::ArchiveBase.
References ct_batches_, and protocols::jd2::archive::ArchiveBase::restore_status().
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virtual |
save and restore status of archive to file-system
Reimplemented from protocols::jd2::archive::ArchiveBase.
References ct_batches_, and protocols::jd2::archive::ArchiveBase::save_status().
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virtual |
References core::pose::Pose::is_fullatom().
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private |
Referenced by DebugArchive().
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private |
Referenced by finished(), restore_status(), and save_status().
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private |