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Namespaces | Functions
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 prob_terminus_ramapert ("lh:prob_terminus_ramapert")
 
RealOptionKey const rms_limit ("lh:rms_limit")
 
RealOptionKey const similarity_reference ("lh:similarity_reference")
 
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")
 
IntegerOptionKey const max_ref_lib_size ("lh:max_ref_lib_size")
 
StringVectorOptionKey const multi_objective_functions ("lh:multi_objective_functions")
 
StringVectorOptionKey const additional_objective_functions ("lh:additional_objective_functions")
 
RealOptionKey const edensity_weight_for_sampling ("lh:edensity_weight_for_sampling")
 
StringOptionKey const mpi_master_schfile ("lh:mpi_master_schfile")
 
IntegerVectorOptionKey const mpi_master_cpu_weight ("lh:mpi_master_cpu_weight")
 
StringOptionKey const mpi_loophash_scan_type ("lh:mpi_loophash_scan_type")
 
BooleanOptionKey const mpi_read_structure_for_emperor ("lh:mpi_read_structure_for_emperor")
 
BooleanOptionKey const mpi_packmin_init ("lh:mpi_packmin_init")
 
IntegerOptionKey const max_sample_per_structure ("lh:max_sample_per_structure")
 
StringOptionKey const loop_string ("lh:loop_string")
 
StringOptionKey const seg_string ("lh:seg_string")
 
StringVectorOptionKey const loopresdef ("lh:loopresdef")
 
BooleanOptionKey const pert_init_loop ("lh:pert_init_loop")
 
RealOptionKey const NMdist ("lh:NMdist")
 
RealVectorOptionKey const objective_dominate_cut ("lh:objective_dominate_cut")
 
RealVectorOptionKey const objective_cut_increment ("lh:objective_cut_increment")
 
StringOptionKey const similarity_method ("lh:similarity_method")
 
StringOptionKey const similarity_measure ("lh:similarity_measure")
 
RealOptionKey const similarity_tolerance ("lh:similarity_tolerance")
 
RealOptionKey const parent_selection_kT ("lh:parent_selection_kT")
 
StringOptionKey const sim_replace_obj ("lh:sim_replace_obj")
 
RealOptionKey const ulr_mulfactor ("lh:ulr_mulfactor")
 
BooleanOptionKey const filter_up_to_maxlib ("lh:filter_up_to_maxlib")
 
BooleanOptionKey const minimize_after_nmsearch ("lh:minimize_after_nmsearch")
 

Function Documentation

StringVectorOptionKey const lh::additional_objective_functions ( "lh:additional_objective_functions"  )
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"  )
RealOptionKey const lh::edensity_weight_for_sampling ( "lh:edensity_weight_for_sampling"  )
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"  )
BooleanOptionKey const lh::filter_up_to_maxlib ( "lh:filter_up_to_maxlib"  )
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"  )
StringOptionKey const lh::loop_string ( "lh:loop_string"  )
StringVectorOptionKey const lh::loopresdef ( "lh:loopresdef"  )
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"  )
IntegerOptionKey const lh::max_ref_lib_size ( "lh:max_ref_lib_size"  )
RealOptionKey const lh::max_rms ( "lh:max_rms"  )
IntegerOptionKey const lh::max_sample_per_structure ( "lh:max_sample_per_structure"  )
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"  )
BooleanOptionKey const lh::minimize_after_nmsearch ( "lh:minimize_after_nmsearch"  )
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"  )
StringOptionKey const lh::mpi_loophash_scan_type ( "lh:mpi_loophash_scan_type"  )
IntegerOptionKey const lh::mpi_loophash_split_size ( "lh:mpi_loophash_split_size "  )
IntegerVectorOptionKey const lh::mpi_master_cpu_weight ( "lh:mpi_master_cpu_weight"  )
BooleanOptionKey const lh::mpi_master_save_score_only ( "lh:mpi_master_save_score_only"  )
StringOptionKey const lh::mpi_master_schfile ( "lh:mpi_master_schfile"  )
RealOptionKey const lh::mpi_metropolis_temp ( "lh:mpi_metropolis_temp"  )
IntegerOptionKey const lh::mpi_outbound_wu_buffer_size ( "lh:mpi_outbound_wu_buffer_size"  )
BooleanOptionKey const lh::mpi_packmin_init ( "lh:mpi_packmin_init"  )
BooleanOptionKey const lh::mpi_read_structure_for_emperor ( "lh:mpi_read_structure_for_emperor"  )
StringOptionKey const lh::mpi_resume ( "lh:mpi_resume"  )
IntegerOptionKey const lh::mpi_save_state_interval ( "lh:mpi_save_state_interval"  )
StringVectorOptionKey const lh::multi_objective_functions ( "lh:multi_objective_functions"  )
RealOptionKey const lh::NMdist ( "lh:NMdist"  )
IntegerOptionKey const lh::num_partitions ( "lh:num_partitions"  )
RealVectorOptionKey const lh::objective_cut_increment ( "lh:objective_cut_increment"  )
RealVectorOptionKey const lh::objective_dominate_cut ( "lh:objective_dominate_cut"  )
StringOptionKey const lh::objective_function ( "lh:objective_function"  )
RealOptionKey const lh::parent_selection_kT ( "lh:parent_selection_kT"  )
BooleanOptionKey const lh::pert_init_loop ( "lh:pert_init_loop"  )
RealOptionKey const lh::prob_terminus_ramapert ( "lh:prob_terminus_ramapert"  )
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"  )
StringOptionKey const lh::seg_string ( "lh:seg_string"  )
StringOptionKey const lh::sim_replace_obj ( "lh:sim_replace_obj"  )
StringOptionKey const lh::similarity_measure ( "lh:similarity_measure"  )
StringOptionKey const lh::similarity_method ( "lh:similarity_method"  )
RealOptionKey const lh::similarity_reference ( "lh:similarity_reference"  )
RealOptionKey const lh::similarity_tolerance ( "lh:similarity_tolerance"  )
IntegerOptionKey const lh::skim_size ( "lh:skim_size"  )
RealOptionKey const lh::ulr_mulfactor ( "lh:ulr_mulfactor"  )
BooleanOptionKey const lh::write_all_fa_structs ( "lh:write_all_fa_structs"  )
BooleanOptionKey const lh::write_centroid_structs ( "lh:write_centroid_structs"  )