corrections::chemical Namespace Reference

Functions
BooleanOptionKey const	chemical ("corrections:chemical")
BooleanOptionKey const	icoor_05_2009 ("corrections:chemical:icoor_05_2009")
BooleanOptionKey const	parse_charge ("corrections:chemical:parse_charge")
BooleanOptionKey const	expand_st_chi2sampling ("corrections:chemical:expand_st_chi2sampling")
StringOptionKey const	alternate_fullatom_ats ("corrections:chemical:alternate_fullatom_ats")

Function Documentation

alternate_fullatom_ats()

StringOptionKey const corrections::chemical::alternate_fullatom_ats

(

"corrections:chemical:alternate_fullatom_ats"

)

chemical()

BooleanOptionKey const corrections::chemical::chemical

(

"corrections:chemical"

)

expand_st_chi2sampling()

BooleanOptionKey const corrections::chemical::expand_st_chi2sampling

(

"corrections:chemical:expand_st_chi2sampling"

)

icoor_05_2009()

BooleanOptionKey const corrections::chemical::icoor_05_2009

(

"corrections:chemical:icoor_05_2009"

)

parse_charge()

BooleanOptionKey const corrections::chemical::parse_charge

(

"corrections:chemical:parse_charge"

)