RTminOptMultifunc Class Reference

Inheritance diagram for RTminOptMultifunc:

Public Member Functions
	RTminOptMultifunc (utility::vector1< core::pose::PoseOP > const &poses_in, utility::vector1< std::string > const &names_in, utility::vector1< utility::vector1< bool > > const &masks_in, core::scoring::ScoreFunction const &scorefxn_in)
virtual	~RTminOptMultifunc ()
virtual core::Real	operator() (core::optimization::Multivec const &vars) const
virtual void	dfunc (core::optimization::Multivec const &vars, core::optimization::Multivec &dE_dvars) const

Private Attributes
utility::vector1< core::pose::PoseOP >	poses_
utility::vector1< std::string >	names_
utility::vector1< utility::vector1< bool > >	masks_
core::scoring::ScoreFunctionOP	scorefxn_
core::pack::task::TaskFactoryOP	task_factory_

Constructor & Destructor Documentation

RTminOptMultifunc()

RTminOptMultifunc::RTminOptMultifunc ( utility::vector1< core::pose::PoseOP > const &  poses_in, utility::vector1< std::string > const &  names_in, utility::vector1< utility::vector1< bool > > const &  masks_in, core::scoring::ScoreFunction const &  scorefxn_in  )

inline

~RTminOptMultifunc()

virtual RTminOptMultifunc::~RTminOptMultifunc ( )

inlinevirtual

Member Function Documentation

dfunc()

virtual void RTminOptMultifunc::dfunc ( core::optimization::Multivec const &  vars, core::optimization::Multivec &  dE_dvars  ) const

inlinevirtual

References hist2d::H, create_a3b_hbs::i, option, and create_a3b_hbs::score.

operator()()

virtual core::Real RTminOptMultifunc::operator() ( core::optimization::Multivec const &  vars ) const

inlinevirtual

References utility::io::oc::cerr, do_rtmin(), dump_multivec(), utility::options::OptionKeys::options::exit, create_a3b_hbs::i, multivec2sf(), basic::options::OptionKeys::out::sf, and basic::options::OptionKeys::gpu::threads.

Member Data Documentation

masks_

utility::vector1< utility::vector1<bool> > RTminOptMultifunc::masks_

private

names_

utility::vector1< std::string > RTminOptMultifunc::names_

private

poses_

utility::vector1< core::pose::PoseOP > RTminOptMultifunc::poses_

private

scorefxn_

core::scoring::ScoreFunctionOP RTminOptMultifunc::scorefxn_

private

task_factory_

core::pack::task::TaskFactoryOP RTminOptMultifunc::task_factory_

private

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

• src/apps/pilot/wendao/params_opt.cc