protocols::canonical_sampling::mc_convergence_checks Namespace Reference

Classes
struct	DataBuffer
class	EXCN_Heat_Converged
class	EXCN_Pool_Converged
class	Heat_ConvergenceCheck
class	HierarchicalLevel
class	HPool_RMSD
class	MPIBPool_RMSD
class	MPIHPool_RMSD
class	MPIPool_RMSD
class	Pool_ConvergenceCheck
class	Pool_Evaluator
class	Pool_RMSD
struct	PoolData
struct	TransferBuffer

Typedefs
typedef utility::pointer::owning_ptr < PoolData >	PoolDataOP
typedef utility::pointer::owning_ptr < PoolData const >	PoolDataCOP
typedef utility::pointer::owning_ptr < HierarchicalLevel >	HierarchicalLevelOP
typedef utility::pointer::owning_ptr < HierarchicalLevel const >	HierarchicalLevelCOP
typedef ObjexxFCL::FArray2D < double >	FArray2D_double
typedef utility::vector1 < core::Size >	Address
typedef utility::pointer::owning_ptr < HPool_RMSD >	HPool_RMSD_OP
typedef utility::pointer::owning_ptr < HPool_RMSD const >	HPool_RMSD_COP
typedef utility::pointer::owning_ptr < MPIBPool_RMSD >	MPIBPool_RMSD_OP
typedef utility::pointer::owning_ptr < MPIBPool_RMSD const >	MPIBPool_RMSD_COP
typedef ObjexxFCL::FArray3D < double >	FArray3D_double
typedef utility::pointer::owning_ptr < MPIHPool_RMSD >	MPIHPool_RMSD_OP
typedef utility::pointer::owning_ptr < MPIHPool_RMSD const >	MPIHPool_RMSD_COP
typedef utility::pointer::owning_ptr < MPIPool_RMSD >	MPIPool_RMSD_OP
typedef utility::pointer::owning_ptr < MPIPool_RMSD const >	MPIPool_RMSD_COP
typedef utility::pointer::owning_ptr < Pool_RMSD >	Pool_RMSD_OP

Functions
std::string	lib_full_path (std::string tag_orign)
void	setup_convergence_checks_from_cmdline (moves::MonteCarlo &mc)

Variables
static basic::Tracer	TR ("HierarchicalLevel")
core::Real const	MAX_RADIUS = 9999
int const	FINISHED = 1
int const	IN_PROGRESS = 0
int const	MPI_OUTPUT_RANK = 0
int const	OUTPUT_TAG = 1000

Typedef Documentation

typedef utility::vector1< core::Size > protocols::canonical_sampling::mc_convergence_checks::Address

typedef ObjexxFCL::FArray2D< double > protocols::canonical_sampling::mc_convergence_checks::FArray2D_double

typedef ObjexxFCL::FArray3D<double> protocols::canonical_sampling::mc_convergence_checks::FArray3D_double

typedef utility::pointer::owning_ptr< HierarchicalLevel const > protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevelCOP

typedef utility::pointer::owning_ptr< HierarchicalLevel > protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevelOP

typedef utility::pointer::owning_ptr< HPool_RMSD const > protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD_COP

typedef utility::pointer::owning_ptr< HPool_RMSD > protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD_OP

typedef utility::pointer::owning_ptr< MPIBPool_RMSD const > protocols::canonical_sampling::mc_convergence_checks::MPIBPool_RMSD_COP

typedef utility::pointer::owning_ptr< MPIBPool_RMSD > protocols::canonical_sampling::mc_convergence_checks::MPIBPool_RMSD_OP

typedef utility::pointer::owning_ptr< MPIHPool_RMSD const > protocols::canonical_sampling::mc_convergence_checks::MPIHPool_RMSD_COP

typedef utility::pointer::owning_ptr< MPIHPool_RMSD > protocols::canonical_sampling::mc_convergence_checks::MPIHPool_RMSD_OP

typedef utility::pointer::owning_ptr< MPIPool_RMSD const > protocols::canonical_sampling::mc_convergence_checks::MPIPool_RMSD_COP

typedef utility::pointer::owning_ptr< MPIPool_RMSD > protocols::canonical_sampling::mc_convergence_checks::MPIPool_RMSD_OP

typedef utility::pointer::owning_ptr< Pool_RMSD > protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD_OP

typedef utility::pointer::owning_ptr< PoolData const > protocols::canonical_sampling::mc_convergence_checks::PoolDataCOP

typedef utility::pointer::owning_ptr< PoolData > protocols::canonical_sampling::mc_convergence_checks::PoolDataOP

Function Documentation

std::string protocols::canonical_sampling::mc_convergence_checks::lib_full_path

(

std::string

tag_orign

)

References utility::file::FileName::base(), cluster::K_n_sub, mc::known_structures, option, utility::file::FileName::path(), s, out::file::silent, and tag.

Referenced by protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD::load_lib().

void protocols::canonical_sampling::mc_convergence_checks::setup_convergence_checks_from_cmdline

(

moves::MonteCarlo &

mc

)

References protocols::jd2::JobDistributor::get_instance(), utility::io::izstream::good(), basic::options::OptionKeys::mc::heat_convergence_check, protocols::jd2::JobDistributor::job_outputter(), utility::io::izstream::open(), option, protocols::moves::MonteCarlo::push_back(), protocols::moves::MonteCarlo::set_heat_after_cycles(), utility::sys_sleep(), and user.

Referenced by protocols::abinitio::abscript::AbscriptMover::AbscriptMover(), and protocols::abinitio::FragmentSampler::set_default_mc().

Variable Documentation

int const protocols::canonical_sampling::mc_convergence_checks::FINISHED = 1

int const protocols::canonical_sampling::mc_convergence_checks::IN_PROGRESS = 0

core::Real const protocols::canonical_sampling::mc_convergence_checks::MAX_RADIUS = 9999

int const protocols::canonical_sampling::mc_convergence_checks::MPI_OUTPUT_RANK = 0

int const protocols::canonical_sampling::mc_convergence_checks::OUTPUT_TAG = 1000

basic::Tracer protocols::canonical_sampling::mc_convergence_checks::TR("HierarchicalLevel")

static

Referenced by protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::add_new(), protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::debug_print_addresses(), protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::debug_print_hierarchy(), protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::debug_print_size_per_level(), protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD::evaluate(), protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::evaluate(), protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::HierarchicalLevel(), protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD::HPool_RMSD(), protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::level_find(), protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::lib_full_path(), protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD::load_lib(), protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::pool_size(), protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::print_address(), protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::round(), protocols::canonical_sampling::mc_convergence_checks::DataBuffer::setup(), protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::sort_pool(), and protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::test_round().