core::chemical::bcl Namespace Reference

Classes
class	BCLFragmentHandler

Functions
static basic::Tracer	TR ("core.chemical.bcl.BCLFragmentHandler")
static basic::Tracer	TR ("core.chemical.bcl.util")
static basic::Tracer	TR_BCL ("BCL")
void	require_bcl ()
	Utility function to print BCL usage details. More...
void	initialize_bcl_main ()
	Initialize core components of the bcl apps/apps.cpp. More...
void	initialize_bcl_random (int const seed)
	Initialize the BCL random number generator. More...
void	initialize_bcl_tracers ()
	Initialize the BCL output levels with the Rosetta commandline settings. More...
void	locate_bcl ()
	Locate the BCL executable path within /main/source/externals/bcl. More...

Variables
static const std::string	BCL_VERSION = "BCL v4.1.0"

Function Documentation

initialize_bcl_main()

void core::chemical::bcl::initialize_bcl_main

(

)

Initialize core components of the bcl apps/apps.cpp.

e.g. GetExecutablePath, etc.

References TR().

Referenced by core::init::init().

initialize_bcl_random()

void core::chemical::bcl::initialize_bcl_random

(

int const

seed

)

Initialize the BCL random number generator.

Note that seed is an int to match the seed generated in core/init.cc

References TR().

Referenced by core::init::init().

initialize_bcl_tracers()

void core::chemical::bcl::initialize_bcl_tracers

(

)

Initialize the BCL output levels with the Rosetta commandline settings.

You can set the global BCL output by controlling the "BCL" tracer.

References TR(), and TR_BCL().

Referenced by core::init::init_tracers().

locate_bcl()

void core::chemical::bcl::locate_bcl

(

)

Locate the BCL executable path within /main/source/externals/bcl.

Required that we find the BCL submodule executable path so that we can set paths to the rotamer library and model directories; this is based obviously on the locate_database() function in init.cc with some extra logic and minor additional differences

References protocols::hybridization::path, and TR().

Referenced by core::init::init().

require_bcl()

void core::chemical::bcl::require_bcl

(

)

Utility function to print BCL usage details.

Utility function to print BCL usage details and then utility_exit.

References BCL_VERSION, and TR().

Referenced by protocols::rotamer_gen::FragmentRotamers::apply(), protocols::drug_design::bcl::BCLFragmentBaseMover::apply(), protocols::drug_design::bcl::BCLFragmentMutateMover::apply(), protocols::drug_design::bcl::BCLFragmentMutateMover::get_mutate_label(), core::init::init(), protocols::drug_design::bcl::BCLFragmentBaseMover::parse_my_tag(), protocols::drug_design::bcl::BCLFragmentMutateMover::parse_my_tag(), and protocols::drug_design::bcl::BCLFragmentMutateMover::set_mutate().

TR() [1/2]

static basic::Tracer core::chemical::bcl::TR ( "core.chemical.bcl.BCLFragmentHandler"  )

static

Referenced by initialize_bcl_main(), initialize_bcl_random(), initialize_bcl_tracers(), locate_bcl(), and require_bcl().

TR() [2/2]

static basic::Tracer core::chemical::bcl::TR ( "core.chemical.bcl.util"  )

static

TR_BCL()

static basic::Tracer core::chemical::bcl::TR_BCL ( "BCL"  )

static

Referenced by initialize_bcl_tracers().

Variable Documentation

BCL_VERSION

const std::string core::chemical::bcl::BCL_VERSION = "BCL v4.1.0"

static

Referenced by require_bcl().