PBPotentialMover Class Reference

Inheritance diagram for PBPotentialMover:

Public Member Functions
void	write_APBS_config (core::pose::Pose &pose, std::ostream &config_file, std::string pqr_fn)
void	apply (core::pose::Pose &pose)
void	initialize ()
std::string	get_name () const

Member Function Documentation

apply()

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

inline

References PB_potential::apbs_exe, utility::io::oc::cerr, PB_potential::no_charge_on_chain, basic::options::option, beta_nonlocal::pose, tag, basic::options::OptionKeys::inout::dbms::user, and write_APBS_config().

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 PBPotentialMover::get_name ( ) const

inline

initialize()

void PBPotentialMover::initialize ( )

inline

Referenced by main().

write_APBS_config()

void PBPotentialMover::write_APBS_config ( core::pose::Pose &  pose, std::ostream &  config_file, std::string  pqr_fn  )

inline

References center, ObjexxFCL::format::F(), create_a3b_hbs::i, test.T110_numeric::I, oop_conformations::length, natoms(), beta_nonlocal::pose, sign::space, tag, numeric::xyzVector< T >::x(), numeric::xyzVector< T >::y(), and numeric::xyzVector< T >::z().

Referenced by apply().

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

• src/apps/pilot/yfsong/PB_potential.cc