Functions
BooleanOptionKey const	james ("james")

IntegerOptionKey const	min_seqsep ("james:min_seqsep")

StringVectorOptionKey const	atom_names ("james:atom_names")

RealVectorOptionKey const	dist_thresholds ("james:dist_thresholds")

RealVectorOptionKey const	torsion_thresholds ("james:torsion_thresholds")

RealOptionKey const	sog_cutoff ("james:sog_cutoff")

BooleanOptionKey const	shift_sog_func ("james:shift_sog_func")

StringOptionKey const	min_type ("james:min_type")

RealOptionKey const	min_tol ("james:min_tol")

BooleanOptionKey const	debug ("james:debug")

RealOptionKey const	real ("james:real")

IntegerOptionKey const	n_designs ("james:n_designs")

BooleanOptionKey const	awesome_mode ("james:awesome_mode")

IntegerOptionKey const	n_clusters ("james:n_clusters")

BooleanOptionKey const	thread_unaligned ("james:thread_unaligned")

Function Documentation

StringVectorOptionKey const james::atom_names ( "james:atom_names" )

BooleanOptionKey const james::awesome_mode ( "james:awesome_mode" )

BooleanOptionKey const james::debug ( "james:debug" )

RealVectorOptionKey const james::dist_thresholds ( "james:dist_thresholds" )

BooleanOptionKey const james::james ( "james" )

IntegerOptionKey const james::min_seqsep ( "james:min_seqsep" )

RealOptionKey const james::min_tol ( "james:min_tol" )

StringOptionKey const james::min_type ( "james:min_type" )

IntegerOptionKey const james::n_clusters ( "james:n_clusters" )

IntegerOptionKey const james::n_designs ( "james:n_designs" )

RealOptionKey const james::real ( "james:real" )

BooleanOptionKey const james::shift_sog_func ( "james:shift_sog_func" )

RealOptionKey const james::sog_cutoff ( "james:sog_cutoff" )

BooleanOptionKey const james::thread_unaligned ( "james:thread_unaligned" )

RealVectorOptionKey const james::torsion_thresholds ( "james:torsion_thresholds" )

Functions