Rosetta 3.4
Public Member Functions
protocols::canonical_sampling::MetricRecorder Class Reference

#include <MetricRecorder.hh>

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List of all members.

Public Member Functions

 MetricRecorder ()
 Constructor.
 ~MetricRecorder ()
 Destructor.
 MetricRecorder (MetricRecorder const &)
 Copy constructor.
MetricRecorderoperator= (MetricRecorder const &)
 operator=
virtual protocols::moves::MoverOP clone () const
 clone has to be overridden only if clone invocation is expected.
virtual protocols::moves::MoverOP fresh_instance () const
 this is like clone(), except it generates a new mover object freshly created with the default ctor. This function _should_ be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage).
virtual std::string get_name () const
 Each derived class must specify its name. The class name.
virtual void parse_my_tag (utility::tag::TagPtr const tag, protocols::moves::DataMap &data, protocols::filters::Filters_map const &filters, protocols::moves::Movers_map const &movers, core::pose::Pose const &pose)
 Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.
virtual bool reinitialize_for_each_job () const
 this function informs the job distributor (august 08 vintage) whether this object needs to be freshly regenerated on each use.
std::string const & file_name () const
void file_name (std::string const &file_name)
core::Size stride () const
void stride (core::Size stride)
bool cumulate_jobs () const
void cumulate_jobs (bool cumulate_jobs)
bool cumulate_replicas () const
void cumulate_replicas (bool cumulate_replicas)
bool prepend_output_name () const
void prepend_output_name (bool prepend_output_name)
void add_torsion (core::id::TorsionID const &torsion_id, std::string name="")
void add_torsion (core::pose::Pose const &pose, std::string const &rsd, std::string type, core::Size torsion, std::string name="")
void reset (core::pose::Pose const &pose, protocols::canonical_sampling::MetropolisHastingsMoverCAP metropolis_hastings_mover=0)
void update_after_boltzmann (core::pose::Pose const &pose, protocols::canonical_sampling::MetropolisHastingsMoverCAP metropolis_hastings_mover=0)
virtual void apply (core::pose::Pose &pose)
virtual void initialize_simulation (core::pose::Pose &pose, protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover, core::Size cycle)
virtual void observe_after_metropolis (protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover)
 callback executed after the Metropolis criterion is evaluated
virtual void finalize_simulation (core::pose::Pose &pose, protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover)
 callback executed after all Monte Carlo trials

Constructor & Destructor Documentation

protocols::canonical_sampling::MetricRecorder::MetricRecorder ( )

Constructor.

Referenced by clone(), and fresh_instance().

protocols::canonical_sampling::MetricRecorder::~MetricRecorder ( )

Destructor.

protocols::canonical_sampling::MetricRecorder::MetricRecorder ( MetricRecorder const &  other)

Copy constructor.


Member Function Documentation

void protocols::canonical_sampling::MetricRecorder::add_torsion ( core::id::TorsionID const &  torsion_id,
std::string  name = "" 
)
void protocols::canonical_sampling::MetricRecorder::add_torsion ( core::pose::Pose const &  pose,
std::string const &  rsd,
std::string  type,
core::Size  torsion,
std::string  name = "" 
)
void protocols::canonical_sampling::MetricRecorder::apply ( core::pose::Pose pose) [virtual]
protocols::moves::MoverOP protocols::canonical_sampling::MetricRecorder::clone ( ) const [virtual]

clone has to be overridden only if clone invocation is expected.

clone is meant to return an OP'ed deep copy of this object. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function.

Reimplemented from protocols::moves::Mover.

References MetricRecorder().

bool protocols::canonical_sampling::MetricRecorder::cumulate_jobs ( ) const

Referenced by cumulate_jobs().

void protocols::canonical_sampling::MetricRecorder::cumulate_jobs ( bool  cumulate_jobs)

References cumulate_jobs().

bool protocols::canonical_sampling::MetricRecorder::cumulate_replicas ( ) const

Referenced by cumulate_replicas().

void protocols::canonical_sampling::MetricRecorder::cumulate_replicas ( bool  cumulate_replicas)

References cumulate_replicas().

void protocols::canonical_sampling::MetricRecorder::file_name ( std::string const &  file_name)

References file_name().

std::string const & protocols::canonical_sampling::MetricRecorder::file_name ( ) const

Referenced by file_name(), and initialize_simulation().

void protocols::canonical_sampling::MetricRecorder::finalize_simulation ( core::pose::Pose pose,
protocols::canonical_sampling::MetropolisHastingsMover const &  metropolis_hastings_mover 
) [virtual]

callback executed after all Monte Carlo trials

Reimplemented from protocols::canonical_sampling::ThermodynamicObserver.

protocols::moves::MoverOP protocols::canonical_sampling::MetricRecorder::fresh_instance ( ) const [virtual]

this is like clone(), except it generates a new mover object freshly created with the default ctor. This function _should_ be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage).

fresh_instance is meant to return a new object of this class, created with the default constructor. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function. This is used by the August 08 job distributor.

Reimplemented from protocols::moves::Mover.

References MetricRecorder().

std::string protocols::canonical_sampling::MetricRecorder::get_name ( ) const [virtual]

Each derived class must specify its name. The class name.

Implements protocols::moves::Mover.

void protocols::canonical_sampling::MetricRecorder::initialize_simulation ( core::pose::Pose pose,
protocols::canonical_sampling::MetropolisHastingsMover const &  metropolis_hastings_mover,
core::Size  cycle 
) [virtual]
void protocols::canonical_sampling::MetricRecorder::observe_after_metropolis ( protocols::canonical_sampling::MetropolisHastingsMover const &  metropolis_hastings_mover) [virtual]
MetricRecorder & protocols::canonical_sampling::MetricRecorder::operator= ( MetricRecorder const &  )

operator=

void protocols::canonical_sampling::MetricRecorder::parse_my_tag ( utility::tag::TagPtr const  tag,
protocols::moves::DataMap data,
protocols::filters::Filters_map const &  filters,
protocols::moves::Movers_map const &  movers,
core::pose::Pose const &  pose 
) [virtual]

Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.

Some movers need not be parsed, so we shouldn't stop executions. This, however, calls attention to the lack of this method, which could be due to something as silly as a wrong parameters definition.

Reimplemented from protocols::moves::Mover.

References add_torsion(), make_table_of_pilot_apps::name, and protocols::moves::Mover::type().

void protocols::canonical_sampling::MetricRecorder::prepend_output_name ( bool  prepend_output_name)

References prepend_output_name().

bool protocols::canonical_sampling::MetricRecorder::prepend_output_name ( ) const

Referenced by prepend_output_name().

virtual bool protocols::canonical_sampling::MetricRecorder::reinitialize_for_each_job ( ) const [inline, virtual]

this function informs the job distributor (august 08 vintage) whether this object needs to be freshly regenerated on each use.

Movers default to not regenerating

Reimplemented from protocols::moves::Mover.

void protocols::canonical_sampling::MetricRecorder::reset ( core::pose::Pose const &  pose,
protocols::canonical_sampling::MetropolisHastingsMoverCAP  metropolis_hastings_mover = 0 
)
core::Size protocols::canonical_sampling::MetricRecorder::stride ( ) const

Referenced by stride().

void protocols::canonical_sampling::MetricRecorder::stride ( core::Size  stride)

References stride().

void protocols::canonical_sampling::MetricRecorder::update_after_boltzmann ( core::pose::Pose const &  pose,
protocols::canonical_sampling::MetropolisHastingsMoverCAP  metropolis_hastings_mover = 0 
)

The documentation for this class was generated from the following files:
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