basic::options::OptionKeys::lh Namespace Reference

Namespaces
	fragpdb
	symfragrm

Functions
BooleanOptionKey const	lh ("lh")
IntegerVectorOptionKey const	loopsizes ("lh:loopsizes")
IntegerOptionKey const	num_partitions ("lh:num_partitions")
PathOptionKey const	db_path ("lh:db_path")
BooleanOptionKey const	exclude_homo ("lh:exclude_homo")
BooleanOptionKey const	bss ("lh:bss")
StringOptionKey const	refstruct ("lh:refstruct")
StringOptionKey const	homo_file ("lh:homo_file")
RealVectorOptionKey const	createdb_rms_cutoff ("lh:createdb_rms_cutoff")
RealOptionKey const	min_bbrms ("lh:min_bbrms")
RealOptionKey const	max_bbrms ("lh:max_bbrms")
RealOptionKey const	min_rms ("lh:min_rms")
RealOptionKey const	max_rms ("lh:max_rms")
BooleanOptionKey const	filter_by_phipsi ("lh:filter_by_phipsi")
IntegerOptionKey const	max_radius ("lh:max_radius")
IntegerOptionKey const	max_struct ("lh:max_struct")
IntegerOptionKey const	max_struct_per_radius ("lh:max_struct_per_radius")
RealOptionKey const	grid_space_multiplier ("lh:grid_space_multiplier")
RealOptionKey const	grid_angle_multiplier ("lh:grid_angle_multiplier")
IntegerOptionKey const	skim_size ("lh:skim_size")
IntegerOptionKey const	rounds ("lh:rounds")
StringOptionKey const	jobname ("lh:jobname")
IntegerOptionKey const	max_lib_size ("lh:max_lib_size")
IntegerOptionKey const	max_emperor_lib_size ("lh:max_emperor_lib_size")
IntegerOptionKey const	max_emperor_lib_round ("lh:max_emperor_lib_round")
IntegerOptionKey const	library_expiry_time ("lh:library_expiry_time")
StringOptionKey const	objective_function ("lh:objective_function")
IntegerOptionKey const	expire_after_rounds ("lh:expire_after_rounds")
StringOptionKey const	mpi_resume ("lh:mpi_resume")
StringOptionKey const	mpi_feedback ("lh:mpi_feedback")
IntegerOptionKey const	mpi_batch_relax_chunks ("lh:mpi_batch_relax_chunks")
IntegerOptionKey const	mpi_batch_relax_absolute_max ("lh:mpi_batch_relax_absolute_max")
IntegerOptionKey const	mpi_outbound_wu_buffer_size ("lh:mpi_outbound_wu_buffer_size")
IntegerOptionKey const	mpi_loophash_split_size ("lh:mpi_loophash_split_size ")
RealOptionKey const	mpi_metropolis_temp ("lh:mpi_metropolis_temp")
IntegerOptionKey const	mpi_save_state_interval ("lh:mpi_save_state_interval")
BooleanOptionKey const	mpi_master_save_score_only ("lh:mpi_master_save_score_only")
IntegerOptionKey const	max_loophash_per_structure ("lh:max_loophash_per_structure")
RealOptionKey const	rms_limit ("lh:rms_limit")
BooleanOptionKey const	centroid_only ("lh:centroid_only")
BooleanOptionKey const	write_centroid_structs ("lh:write_centroid_structs")
BooleanOptionKey const	write_all_fa_structs ("lh:write_all_fa_structs")
BooleanOptionKey const	sandbox ("lh:sandbox")
BooleanOptionKey const	create_db ("lh:create_db")
FileOptionKey const	sample_weight_file ("lh:sample_weight_file")
RealOptionKey const	radius_size ("lh:radius_size")

Variables
BooleanOptionKey const	lh
IntegerVectorOptionKey const	loopsizes
IntegerOptionKey const	num_partitions
PathOptionKey const	db_path
BooleanOptionKey const	exclude_homo
BooleanOptionKey const	bss
StringOptionKey const	refstruct
StringOptionKey const	homo_file
RealVectorOptionKey const	createdb_rms_cutoff
RealOptionKey const	min_bbrms
RealOptionKey const	max_bbrms
RealOptionKey const	min_rms
RealOptionKey const	max_rms
BooleanOptionKey const	filter_by_phipsi
IntegerOptionKey const	max_radius
IntegerOptionKey const	max_struct
IntegerOptionKey const	max_struct_per_radius
RealOptionKey const	grid_space_multiplier
RealOptionKey const	grid_angle_multiplier
IntegerOptionKey const	skim_size
IntegerOptionKey const	rounds
StringOptionKey const	jobname
IntegerOptionKey const	max_lib_size
IntegerOptionKey const	max_emperor_lib_size
IntegerOptionKey const	max_emperor_lib_round
IntegerOptionKey const	library_expiry_time
StringOptionKey const	objective_function
IntegerOptionKey const	expire_after_rounds
StringOptionKey const	mpi_resume
StringOptionKey const	mpi_feedback
IntegerOptionKey const	mpi_batch_relax_chunks
IntegerOptionKey const	mpi_batch_relax_absolute_max
IntegerOptionKey const	mpi_outbound_wu_buffer_size
IntegerOptionKey const	mpi_loophash_split_size
RealOptionKey const	mpi_metropolis_temp
IntegerOptionKey const	mpi_save_state_interval
BooleanOptionKey const	mpi_master_save_score_only
IntegerOptionKey const	max_loophash_per_structure
RealOptionKey const	rms_limit
BooleanOptionKey const	centroid_only
BooleanOptionKey const	write_centroid_structs
BooleanOptionKey const	write_all_fa_structs
BooleanOptionKey const	sandbox
BooleanOptionKey const	create_db
FileOptionKey const	sample_weight_file
RealOptionKey const	radius_size

Function Documentation

BooleanOptionKey const basic::options::OptionKeys::lh::bss

(

"lh:bss"

)

BooleanOptionKey const basic::options::OptionKeys::lh::centroid_only

(

"lh:centroid_only"

)

BooleanOptionKey const basic::options::OptionKeys::lh::create_db

(

"lh:create_db"

)

RealVectorOptionKey const basic::options::OptionKeys::lh::createdb_rms_cutoff

(

"lh:createdb_rms_cutoff"

)

PathOptionKey const basic::options::OptionKeys::lh::db_path

(

"lh:db_path"

)

BooleanOptionKey const basic::options::OptionKeys::lh::exclude_homo

(

"lh:exclude_homo"

)

IntegerOptionKey const basic::options::OptionKeys::lh::expire_after_rounds

(

"lh:expire_after_rounds"

)

BooleanOptionKey const basic::options::OptionKeys::lh::filter_by_phipsi

(

"lh:filter_by_phipsi"

)

RealOptionKey const basic::options::OptionKeys::lh::grid_angle_multiplier

(

"lh:grid_angle_multiplier"

)

RealOptionKey const basic::options::OptionKeys::lh::grid_space_multiplier

(

"lh:grid_space_multiplier"

)

StringOptionKey const basic::options::OptionKeys::lh::homo_file

(

"lh:homo_file"

)

StringOptionKey const basic::options::OptionKeys::lh::jobname

(

"lh:jobname"

)

BooleanOptionKey const basic::options::OptionKeys::lh::lh

(

"lh"

)

IntegerOptionKey const basic::options::OptionKeys::lh::library_expiry_time

(

"lh:library_expiry_time"

)

IntegerVectorOptionKey const basic::options::OptionKeys::lh::loopsizes

(

"lh:loopsizes"

)

RealOptionKey const basic::options::OptionKeys::lh::max_bbrms

(

"lh:max_bbrms"

)

IntegerOptionKey const basic::options::OptionKeys::lh::max_emperor_lib_round

(

"lh:max_emperor_lib_round"

)

IntegerOptionKey const basic::options::OptionKeys::lh::max_emperor_lib_size

(

"lh:max_emperor_lib_size"

)

IntegerOptionKey const basic::options::OptionKeys::lh::max_lib_size

(

"lh:max_lib_size"

)

IntegerOptionKey const basic::options::OptionKeys::lh::max_loophash_per_structure

(

"lh:max_loophash_per_structure"

)

IntegerOptionKey const basic::options::OptionKeys::lh::max_radius

(

"lh:max_radius"

)

RealOptionKey const basic::options::OptionKeys::lh::max_rms

(

"lh:max_rms"

)

IntegerOptionKey const basic::options::OptionKeys::lh::max_struct

(

"lh:max_struct"

)

IntegerOptionKey const basic::options::OptionKeys::lh::max_struct_per_radius

(

"lh:max_struct_per_radius"

)

RealOptionKey const basic::options::OptionKeys::lh::min_bbrms

(

"lh:min_bbrms"

)

RealOptionKey const basic::options::OptionKeys::lh::min_rms

(

"lh:min_rms"

)

IntegerOptionKey const basic::options::OptionKeys::lh::mpi_batch_relax_absolute_max

(

"lh:mpi_batch_relax_absolute_max"

)

IntegerOptionKey const basic::options::OptionKeys::lh::mpi_batch_relax_chunks

(

"lh:mpi_batch_relax_chunks"

)

StringOptionKey const basic::options::OptionKeys::lh::mpi_feedback

(

"lh:mpi_feedback"

)

IntegerOptionKey const basic::options::OptionKeys::lh::mpi_loophash_split_size

(

"lh:mpi_loophash_split_size "

)

BooleanOptionKey const basic::options::OptionKeys::lh::mpi_master_save_score_only

(

"lh:mpi_master_save_score_only"

)

RealOptionKey const basic::options::OptionKeys::lh::mpi_metropolis_temp

(

"lh:mpi_metropolis_temp"

)

IntegerOptionKey const basic::options::OptionKeys::lh::mpi_outbound_wu_buffer_size

(

"lh:mpi_outbound_wu_buffer_size"

)

StringOptionKey const basic::options::OptionKeys::lh::mpi_resume

(

"lh:mpi_resume"

)

IntegerOptionKey const basic::options::OptionKeys::lh::mpi_save_state_interval

(

"lh:mpi_save_state_interval"

)

IntegerOptionKey const basic::options::OptionKeys::lh::num_partitions

(

"lh:num_partitions"

)

StringOptionKey const basic::options::OptionKeys::lh::objective_function

(

"lh:objective_function"

)

RealOptionKey const basic::options::OptionKeys::lh::radius_size

(

"lh:radius_size"

)

StringOptionKey const basic::options::OptionKeys::lh::refstruct

(

"lh:refstruct"

)

RealOptionKey const basic::options::OptionKeys::lh::rms_limit

(

"lh:rms_limit"

)

IntegerOptionKey const basic::options::OptionKeys::lh::rounds

(

"lh:rounds"

)

FileOptionKey const basic::options::OptionKeys::lh::sample_weight_file

(

"lh:sample_weight_file"

)

BooleanOptionKey const basic::options::OptionKeys::lh::sandbox

(

"lh:sandbox"

)

IntegerOptionKey const basic::options::OptionKeys::lh::skim_size

(

"lh:skim_size"

)

BooleanOptionKey const basic::options::OptionKeys::lh::write_all_fa_structs

(

"lh:write_all_fa_structs"

)

BooleanOptionKey const basic::options::OptionKeys::lh::write_centroid_structs

(

"lh:write_centroid_structs"

)

Variable Documentation

BooleanOptionKey const basic::options::OptionKeys::lh::bss("lh:bss")

Referenced by add_rosetta_options_2().

BooleanOptionKey const basic::options::OptionKeys::lh::centroid_only("lh:centroid_only")

Referenced by add_rosetta_options_2().

BooleanOptionKey const basic::options::OptionKeys::lh::create_db("lh:create_db")

Referenced by add_rosetta_options_2().

RealVectorOptionKey const basic::options::OptionKeys::lh::createdb_rms_cutoff("lh:createdb_rms_cutoff")

Referenced by add_rosetta_options_2().

PathOptionKey const basic::options::OptionKeys::lh::db_path("lh:db_path")

Referenced by add_rosetta_options_2().

BooleanOptionKey const basic::options::OptionKeys::lh::exclude_homo("lh:exclude_homo")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::expire_after_rounds("lh:expire_after_rounds")

Referenced by add_rosetta_options_2().

BooleanOptionKey const basic::options::OptionKeys::lh::filter_by_phipsi("lh:filter_by_phipsi")

Referenced by add_rosetta_options_2().

RealOptionKey const basic::options::OptionKeys::lh::grid_angle_multiplier("lh:grid_angle_multiplier")

Referenced by add_rosetta_options_2().

RealOptionKey const basic::options::OptionKeys::lh::grid_space_multiplier("lh:grid_space_multiplier")

Referenced by add_rosetta_options_2().

StringOptionKey const basic::options::OptionKeys::lh::homo_file("lh:homo_file")

Referenced by add_rosetta_options_2().

StringOptionKey const basic::options::OptionKeys::lh::jobname("lh:jobname")

Referenced by add_rosetta_options_2().

BooleanOptionKey const basic::options::OptionKeys::lh::lh("lh")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::library_expiry_time("lh:library_expiry_time")

Referenced by add_rosetta_options_2().

IntegerVectorOptionKey const basic::options::OptionKeys::lh::loopsizes("lh:loopsizes")

Referenced by add_rosetta_options_2().

RealOptionKey const basic::options::OptionKeys::lh::max_bbrms("lh:max_bbrms")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::max_emperor_lib_round("lh:max_emperor_lib_round")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::max_emperor_lib_size("lh:max_emperor_lib_size")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::max_lib_size("lh:max_lib_size")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::max_loophash_per_structure("lh:max_loophash_per_structure")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::max_radius("lh:max_radius")

Referenced by add_rosetta_options_2(), and numeric::geometry::hashing::SixDOffsetTree::init().

RealOptionKey const basic::options::OptionKeys::lh::max_rms("lh:max_rms")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::max_struct("lh:max_struct")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::max_struct_per_radius("lh:max_struct_per_radius")

Referenced by add_rosetta_options_2().

RealOptionKey const basic::options::OptionKeys::lh::min_bbrms("lh:min_bbrms")

Referenced by add_rosetta_options_2().

RealOptionKey const basic::options::OptionKeys::lh::min_rms("lh:min_rms")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::mpi_batch_relax_absolute_max("lh:mpi_batch_relax_absolute_max")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::mpi_batch_relax_chunks("lh:mpi_batch_relax_chunks")

Referenced by add_rosetta_options_2().

StringOptionKey const basic::options::OptionKeys::lh::mpi_feedback("lh:mpi_feedback")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::mpi_loophash_split_size("lh:mpi_loophash_split_size ")

Referenced by add_rosetta_options_2().

BooleanOptionKey const basic::options::OptionKeys::lh::mpi_master_save_score_only("lh:mpi_master_save_score_only")

Referenced by add_rosetta_options_2().

RealOptionKey const basic::options::OptionKeys::lh::mpi_metropolis_temp("lh:mpi_metropolis_temp")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::mpi_outbound_wu_buffer_size("lh:mpi_outbound_wu_buffer_size")

Referenced by add_rosetta_options_2().

StringOptionKey const basic::options::OptionKeys::lh::mpi_resume("lh:mpi_resume")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::mpi_save_state_interval("lh:mpi_save_state_interval")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::num_partitions("lh:num_partitions")

Referenced by add_rosetta_options_2().

StringOptionKey const basic::options::OptionKeys::lh::objective_function("lh:objective_function")

Referenced by add_rosetta_options_2().

RealOptionKey const basic::options::OptionKeys::lh::radius_size("lh:radius_size")

Referenced by add_rosetta_options_2().

StringOptionKey const basic::options::OptionKeys::lh::refstruct("lh:refstruct")

Referenced by add_rosetta_options_2().

RealOptionKey const basic::options::OptionKeys::lh::rms_limit("lh:rms_limit")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::rounds("lh:rounds")

Referenced by add_rosetta_options_2().

FileOptionKey const basic::options::OptionKeys::lh::sample_weight_file("lh:sample_weight_file")

Referenced by add_rosetta_options_2().

BooleanOptionKey const basic::options::OptionKeys::lh::sandbox("lh:sandbox")

Referenced by add_rosetta_options_2().

IntegerOptionKey const basic::options::OptionKeys::lh::skim_size("lh:skim_size")

Referenced by add_rosetta_options_2().

BooleanOptionKey const basic::options::OptionKeys::lh::write_all_fa_structs("lh:write_all_fa_structs")

Referenced by add_rosetta_options_2().

BooleanOptionKey const basic::options::OptionKeys::lh::write_centroid_structs("lh:write_centroid_structs")

Referenced by add_rosetta_options_2().