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Rosetta
2020.50
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#include <RDC_Evaluator.hh>
Public Member Functions | |
SelectRDC_Evaluator (core::scoring::ResidueSelection const &selection, std::string const &tag="", std::string const &file="") | |
SelectRDC_Evaluator (utility::vector1< core::Size > const &selection, std::string const &tag="", std::string const &file="") | |
SelectRDC_Evaluator (core::pose::PoseCOP, std::string tag="") | |
SelectRDC_Evaluator (core::pose::Pose const &, std::string tag="") | |
core::Real | apply (core::pose::Pose &) const override |
evaluate pose More... | |
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SingleValuePoseEvaluator (std::string const &name="UNSPECIFIED_SingleValuePoseEvaluator") | |
void | apply (core::pose::Pose &, std::string tag, core::io::silent::SilentStruct &pss) const override |
evaluate pose and store values in Silent_Struct why is this specific to a specific type of SilentStruct? that seems needlessly pointless and overly constraining. More... | |
bool | applicable (core::pose::Pose const &) const override |
core::Size | size () const override |
std::string | name (core::Size) const override |
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PoseEvaluator () | |
~PoseEvaluator () override=default | |
virtual void | apply (core::io::silent::SilentStruct &pss) const |
direct application to SilentStruct... default implementation makes pose and calls "apply", you can overload if you don't need the pose-step More... | |
Private Member Functions | |
void | init_rdcs () |
Private Attributes | |
core::scoring::ResidueSelection | selection_ |
std::string | tag_ |
core::scoring::ResidualDipolarCouplingOP | rdc_data_ |
std::string | rdc_file_ |
protocols::simple_filters::SelectRDC_Evaluator::SelectRDC_Evaluator | ( | core::scoring::ResidueSelection const & | selection, |
std::string const & | tag = "" , |
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std::string const & | file = "" |
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protocols::simple_filters::SelectRDC_Evaluator::SelectRDC_Evaluator | ( | utility::vector1< core::Size > const & | selection, |
std::string const & | tag = "" , |
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std::string const & | file = "" |
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References init_rdcs(), and selection_.
protocols::simple_filters::SelectRDC_Evaluator::SelectRDC_Evaluator | ( | core::pose::PoseCOP | pose, |
std::string | tag = "" |
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References protocols::evaluation::find_existing_residues(), init_rdcs(), and selection_.
protocols::simple_filters::SelectRDC_Evaluator::SelectRDC_Evaluator | ( | core::pose::Pose const & | pose, |
std::string | tag = "" |
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References protocols::evaluation::find_existing_residues(), init_rdcs(), and selection_.
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overridevirtual |
evaluate pose
Implements protocols::evaluation::SingleValuePoseEvaluator< core::Real >.
References protocols::simple_filters::energy_evaluator, core::energy_methods::ResidualDipolarCouplingEnergy::eval_dipolar(), and rdc_data_.
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private |
References core::scoring::ResidualDipolarCoupling::get_RDC_data(), core::scoring::rdc, rdc_data_, rdc_file_, and selection_.
Referenced by SelectRDC_Evaluator().
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private |
Referenced by apply(), and init_rdcs().
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private |
Referenced by init_rdcs().
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private |
Referenced by init_rdcs(), and SelectRDC_Evaluator().
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private |