Rosetta 3.5
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Namespaces | Classes | Typedefs | Enumerations | Functions
protocols::canonical_sampling Namespace Reference

Namespaces

 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. More...
 
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::ParallelTempering::allocate_buffers(), protocols::canonical_sampling::SidechainMetropolisHastingsMover::apply(), protocols::canonical_sampling::CanonicalSamplingMover::apply(), protocols::canonical_sampling::PatchOperation::apply(), protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::evaluate_and_add(), protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::fill_pool(), 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(), protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::get_tag(), protocols::canonical_sampling::SimulatedTempering::init_from_options(), protocols::canonical_sampling::TemperingBase::init_from_options(), protocols::canonical_sampling::SimulatedTempering::initialize_from_file(), protocols::canonical_sampling::TemperingBase::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::ParallelTempering::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::ParallelTempering::setup_exchange_schedule(), protocols::canonical_sampling::MultiTemperatureTrialCounter::show(), protocols::canonical_sampling::SimulatedTempering::temperature_move(), and protocols::canonical_sampling::SilentTrajectoryRecorder::write_model().