Rosetta 3.4
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protocols::canonical_sampling Namespace Reference

Namespaces

namespace  mc_convergence_checks

Classes

class  CanonicalSamplingMover
class  PatchOperation
class  HamiltonianExchange
class  HamiltonianExchangeCreator
class  MetricRecorder
class  MetricRecorderCreator
class  MetropolisHastingsMover
class  MetropolisHastingsMoverCreator
class  MultiTemperatureTrialCounter
class  ParallelTempering
class  ParallelTemperingCreator
class  PDBTrajectoryRecorder
class  PDBTrajectoryRecorderCreator
class  SidechainMetropolisHastingsMover
class  SidechainMetropolisHastingsMoverCreator
class  SilentTrajectoryRecorder
class  SilentTrajectoryRecorderCreator
class  SimulatedTempering
class  SimulatedTemperingCreator
class  TemperatureController
class  FixedTemperatureController
class  TemperingBase
class  ThermodynamicMover
class  ThermodynamicObserver
class  TrajectoryRecorder
class  TrialCounterObserver
class  TrialCounterObserverCreator

Typedefs

typedef
utility::pointer::owning_ptr
< CanonicalSamplingMover
CanonicalSamplingMoverOP
typedef
utility::pointer::owning_ptr
< CanonicalSamplingMover const > 
CanonicalSamplingMoverCOP
typedef
utility::pointer::owning_ptr
< HamiltonianExchange
HamiltonianExchangeOP
typedef
utility::pointer::owning_ptr
< HamiltonianExchange const > 
HamiltonianExchangeCOP
typedef
utility::pointer::owning_ptr
< MetropolisHastingsMover
MetropolisHastingsMoverOP
typedef
utility::pointer::owning_ptr
< MetropolisHastingsMover
const > 
MetropolisHastingsMoverCOP
typedef
utility::pointer::access_ptr
< MetropolisHastingsMover
MetropolisHastingsMoverAP
typedef
utility::pointer::access_ptr
< MetropolisHastingsMover
const > 
MetropolisHastingsMoverCAP
typedef
utility::pointer::owning_ptr
< ParallelTempering
ParallelTemperingOP
typedef
utility::pointer::owning_ptr
< ParallelTempering const > 
ParallelTemperingCOP
typedef
utility::pointer::owning_ptr
< SilentTrajectoryRecorder
SilentTrajectoryRecorderOP
typedef
utility::pointer::owning_ptr
< SimulatedTempering
SimulatedTemperingOP
typedef
utility::pointer::owning_ptr
< SimulatedTempering const > 
SimulatedTemperingCOP
typedef
utility::pointer::owning_ptr
< SimulatedTemperingObserver > 
SimulatedTemperingObserverOP
typedef
utility::pointer::owning_ptr
< SimulatedTemperingObserver
const > 
SimulatedTemperingObserverCOP
typedef
utility::pointer::owning_ptr
< TemperatureController
TemperatureControllerOP
typedef
utility::pointer::owning_ptr
< TemperatureController const > 
TemperatureControllerCOP
typedef
utility::pointer::owning_ptr
< TemperingBase
TemperingBaseOP
typedef
utility::pointer::owning_ptr
< TemperingBase const > 
TemperingBaseCOP
typedef
utility::pointer::access_ptr
< TemperingBase
TemperingBaseAP
typedef
utility::pointer::access_ptr
< TemperingBase const > 
TemperingBaseCAP
typedef
utility::pointer::owning_ptr
< ThermodynamicMover
ThermodynamicMoverOP
typedef
utility::pointer::owning_ptr
< ThermodynamicMover const > 
ThermodynamicMoverCOP
typedef
utility::pointer::owning_ptr
< ThermodynamicObserver
ThermodynamicObserverOP
typedef
utility::pointer::owning_ptr
< ThermodynamicObserver const > 
ThermodynamicObserverCOP
typedef
utility::pointer::owning_ptr
< TrajectoryRecorder
TrajectoryRecorderOP

Enumerations

enum  InterpolationType { linear, exponential }

Functions

int canonical_sampling_main ()
static basic::Tracer tr ("protocols.canonical_sampling.CanonicalSamplingMover")
std::string jobname_dirhash (std::string const &dir_prefix, core::Size nr_dirs)
std::ostream & operator<< (std::ostream &os, HamiltonianExchange const &)
 Test IO operator for debug and Python bindings.
std::string interpolation_type_enum_to_string (InterpolationType interp_enum)
InterpolationType interpolation_type_string_to_enum (std::string const &interp_string)

Typedef Documentation


Enumeration Type Documentation

Enumerator:
linear 
exponential 

Function Documentation

int protocols::canonical_sampling::canonical_sampling_main ( )
std::string protocols::canonical_sampling::interpolation_type_enum_to_string ( InterpolationType  interp_enum)
InterpolationType protocols::canonical_sampling::interpolation_type_string_to_enum ( std::string const &  interp_string)
std::string protocols::canonical_sampling::jobname_dirhash ( std::string const &  dir_prefix,
core::Size  nr_dirs 
)
std::ostream & protocols::canonical_sampling::operator<< ( std::ostream &  os,
HamiltonianExchange const &  obj 
)

Test IO operator for debug and Python bindings.

References protocols::canonical_sampling::HamiltonianExchange::show().

static basic::Tracer protocols::canonical_sampling::tr ( "protocols.canonical_sampling.CanonicalSamplingMover"  ) [static]

Referenced by protocols::canonical_sampling::SidechainMetropolisHastingsMover::apply(), protocols::canonical_sampling::PatchOperation::apply(), protocols::canonical_sampling::CanonicalSamplingMover::apply(), protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::evaluate_and_add(), protocols::canonical_sampling::TrialCounterObserver::finalize_simulation(), protocols::canonical_sampling::ParallelTempering::finalize_simulation(), protocols::canonical_sampling::TemperingBase::generate_temp_range(), protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::get_tag(), protocols::canonical_sampling::TemperingBase::init_from_options(), protocols::canonical_sampling::SimulatedTempering::init_from_options(), protocols::canonical_sampling::TemperingBase::initialize_from_file(), protocols::canonical_sampling::SimulatedTempering::initialize_from_file(), protocols::canonical_sampling::HamiltonianExchange::initialize_from_file(), protocols::canonical_sampling::TemperingBase::initialize_simulation(), protocols::canonical_sampling::SimulatedTempering::initialize_simulation(), protocols::canonical_sampling::SilentTrajectoryRecorder::initialize_simulation(), protocols::canonical_sampling::HamiltonianExchange::initialize_simulation(), protocols::canonical_sampling::SilentTrajectoryRecorder::observe_after_metropolis(), protocols::canonical_sampling::TemperingBase::parse_my_tag(), protocols::canonical_sampling::SidechainMetropolisHastingsMover::pass_metropolis(), protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::pop_back(), protocols::canonical_sampling::SilentTrajectoryRecorder::restart_simulation(), protocols::canonical_sampling::MultiTemperatureTrialCounter::show(), and protocols::canonical_sampling::SimulatedTempering::temperature_move().

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