fingerprint Namespace Reference

Functions
BooleanOptionKey const	fingerprint ("fingerprint")
BooleanOptionKey const	print_eggshell ("fingerprint:print_eggshell")
RealOptionKey const	atom_radius_scale ("fingerprint:atom_radius_scale")
RealOptionKey const	atom_radius_buffer ("fingerprint:atom_radius_buffer")
RealOptionKey const	packing_weight ("fingerprint:packing_weight")
RealOptionKey const	dist_cut_off ("fingerprint:dist_cut_off")
BooleanOptionKey const	include_hydrogens ("fingerprint:include_hydrogens")
BooleanOptionKey const	use_DARC_gpu ("fingerprint:use_DARC_gpu")
BooleanOptionKey const	square_score ("fingerprint:square_score")
IntegerOptionKey const	set_origin ("fingerprint:set_origin")
IntegerOptionKey const	origin_res_num ("fingerprint:origin_res_num")

Function Documentation

RealOptionKey const fingerprint::atom_radius_buffer

(

"fingerprint:atom_radius_buffer"

)

RealOptionKey const fingerprint::atom_radius_scale

(

"fingerprint:atom_radius_scale"

)

RealOptionKey const fingerprint::dist_cut_off

(

"fingerprint:dist_cut_off"

)

BooleanOptionKey const fingerprint::fingerprint

(

"fingerprint"

)

BooleanOptionKey const fingerprint::include_hydrogens

(

"fingerprint:include_hydrogens"

)

IntegerOptionKey const fingerprint::origin_res_num

(

"fingerprint:origin_res_num"

)

RealOptionKey const fingerprint::packing_weight

(

"fingerprint:packing_weight"

)

BooleanOptionKey const fingerprint::print_eggshell

(

"fingerprint:print_eggshell"

)

IntegerOptionKey const fingerprint::set_origin

(

"fingerprint:set_origin"

)

BooleanOptionKey const fingerprint::square_score

(

"fingerprint:square_score"

)

BooleanOptionKey const fingerprint::use_DARC_gpu

(

"fingerprint:use_DARC_gpu"

)