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")

Function Documentation

BooleanOptionKey const lh::bss

(

"lh:bss"

)

BooleanOptionKey const lh::centroid_only

(

"lh:centroid_only"

)

BooleanOptionKey const lh::create_db

(

"lh:create_db"

)

RealVectorOptionKey const lh::createdb_rms_cutoff

(

"lh:createdb_rms_cutoff"

)

PathOptionKey const lh::db_path

(

"lh:db_path"

)

BooleanOptionKey const lh::exclude_homo

(

"lh:exclude_homo"

)

IntegerOptionKey const lh::expire_after_rounds

(

"lh:expire_after_rounds"

)

BooleanOptionKey const lh::filter_by_phipsi

(

"lh:filter_by_phipsi"

)

RealOptionKey const lh::grid_angle_multiplier

(

"lh:grid_angle_multiplier"

)

RealOptionKey const lh::grid_space_multiplier

(

"lh:grid_space_multiplier"

)

StringOptionKey const lh::homo_file

(

"lh:homo_file"

)

StringOptionKey const lh::jobname

(

"lh:jobname"

)

BooleanOptionKey const lh::lh

(

"lh"

)

IntegerOptionKey const lh::library_expiry_time

(

"lh:library_expiry_time"

)

IntegerVectorOptionKey const lh::loopsizes

(

"lh:loopsizes"

)

RealOptionKey const lh::max_bbrms

(

"lh:max_bbrms"

)

IntegerOptionKey const lh::max_emperor_lib_round

(

"lh:max_emperor_lib_round"

)

IntegerOptionKey const lh::max_emperor_lib_size

(

"lh:max_emperor_lib_size"

)

IntegerOptionKey const lh::max_lib_size

(

"lh:max_lib_size"

)

IntegerOptionKey const lh::max_loophash_per_structure

(

"lh:max_loophash_per_structure"

)

IntegerOptionKey const lh::max_radius

(

"lh:max_radius"

)

RealOptionKey const lh::max_rms

(

"lh:max_rms"

)

IntegerOptionKey const lh::max_struct

(

"lh:max_struct"

)

IntegerOptionKey const lh::max_struct_per_radius

(

"lh:max_struct_per_radius"

)

RealOptionKey const lh::min_bbrms

(

"lh:min_bbrms"

)

RealOptionKey const lh::min_rms

(

"lh:min_rms"

)

IntegerOptionKey const lh::mpi_batch_relax_absolute_max

(

"lh:mpi_batch_relax_absolute_max"

)

IntegerOptionKey const lh::mpi_batch_relax_chunks

(

"lh:mpi_batch_relax_chunks"

)

StringOptionKey const lh::mpi_feedback

(

"lh:mpi_feedback"

)

IntegerOptionKey const lh::mpi_loophash_split_size

(

"lh:mpi_loophash_split_size "

)

BooleanOptionKey const lh::mpi_master_save_score_only

(

"lh:mpi_master_save_score_only"

)

RealOptionKey const lh::mpi_metropolis_temp

(

"lh:mpi_metropolis_temp"

)

IntegerOptionKey const lh::mpi_outbound_wu_buffer_size

(

"lh:mpi_outbound_wu_buffer_size"

)

StringOptionKey const lh::mpi_resume

(

"lh:mpi_resume"

)

IntegerOptionKey const lh::mpi_save_state_interval

(

"lh:mpi_save_state_interval"

)

IntegerOptionKey const lh::num_partitions

(

"lh:num_partitions"

)

StringOptionKey const lh::objective_function

(

"lh:objective_function"

)

RealOptionKey const lh::radius_size

(

"lh:radius_size"

)

StringOptionKey const lh::refstruct

(

"lh:refstruct"

)

RealOptionKey const lh::rms_limit

(

"lh:rms_limit"

)

IntegerOptionKey const lh::rounds

(

"lh:rounds"

)

FileOptionKey const lh::sample_weight_file

(

"lh:sample_weight_file"

)

BooleanOptionKey const lh::sandbox

(

"lh:sandbox"

)

IntegerOptionKey const lh::skim_size

(

"lh:skim_size"

)

BooleanOptionKey const lh::write_all_fa_structs

(

"lh:write_all_fa_structs"

)

BooleanOptionKey const lh::write_centroid_structs

(

"lh:write_centroid_structs"

)