LigandDockingHbondsReporter Class Reference

Inheritance diagram for LigandDockingHbondsReporter:

Public Member Functions
	LigandDockingHbondsReporter ()=default
void	apply (core::pose::Pose &pose) override
std::string	get_name () const override

Constructor & Destructor Documentation

LigandDockingHbondsReporter()

LigandDockingHbondsReporter::LigandDockingHbondsReporter ( )

default

Member Function Documentation

apply()

void LigandDockingHbondsReporter::apply ( core::pose::Pose &  pose )

inlineoverride

References compute(), pyrosetta.distributed.io::get_score_function(), option, beta_nonlocal::pose, pyrosetta.bindings.warnings::setPoseExtraScore(), basic::options::OptionKeys::out::sf, TR, and basic::options::OptionKeys::inout::dbms::user.

Referenced by pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase::__setitem__(), pyrosetta.bindings.scores.base.PoseCacheAccessorBase::_maybe_delete_keys_from_sm_data(), and pyrosetta.distributed.tasks.rosetta_scripts.BaseRosettaScriptsTask::execute().

get_name()

std::string LigandDockingHbondsReporter::get_name ( ) const

inlineoverride

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

• src/apps/pilot/guangfeng/ligand_docking_hbonds.cc