ScoreFragInfo Struct Reference

Public Member Functions
	ScoreFragInfo ()=default
	ScoreFragInfo (std::string const &id, int aa, core::Size phibin, core::Size psibin, core::Size rotidx, core::Size r1, core::Size r2, core::Size r3, core::Size r4, core::Size weight, core::Real fragscore)

Public Attributes
std::string	id_
int	aa_
core::Size	phibin_ = 0
core::Size	psibin_ = 0
core::Size	rotidx_ = 0
core::Size	rotid_ [4]
core::Size	weight_ = 0
core::Real	fragscore_ = 0

Constructor & Destructor Documentation

ScoreFragInfo() [1/2]

ScoreFragInfo::ScoreFragInfo ( )

default

ScoreFragInfo() [2/2]

ScoreFragInfo::ScoreFragInfo ( std::string const &  id, int  aa, core::Size  phibin, core::Size  psibin, core::Size  rotidx, core::Size  r1, core::Size  r2, core::Size  r3, core::Size  r4, core::Size  weight, core::Real  fragscore  )

inline

References aa, basic::options::OptionKeys::motifs::r1, basic::options::OptionKeys::motifs::r2, and basic::options::OptionKeys::sc::weight.

Member Data Documentation

aa_

int ScoreFragInfo::aa_

Referenced by correct_dunbrack(), and correct_rama().

fragscore_

core::Real ScoreFragInfo::fragscore_ = 0

Referenced by correct_dunbrack(), and correct_rama().

id_

std::string ScoreFragInfo::id_

Referenced by correct_dunbrack(), and correct_rama().

phibin_

core::Size ScoreFragInfo::phibin_ = 0

Referenced by correct_dunbrack(), and correct_rama().

psibin_

core::Size ScoreFragInfo::psibin_ = 0

Referenced by correct_dunbrack(), and correct_rama().

rotid_

core::Size ScoreFragInfo::rotid_[4]

Referenced by correct_dunbrack().

rotidx_

core::Size ScoreFragInfo::rotidx_ = 0

Referenced by correct_dunbrack().

weight_

core::Size ScoreFragInfo::weight_ = 0

Referenced by correct_dunbrack(), and correct_rama().

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The documentation for this struct was generated from the following file:

• src/apps/public/weight_optimization/torsional_potential_corrections.cc