Rosetta 3.4
Public Member Functions
protocols::enzdes::EnzRepackMinimize Class Reference

#include <EnzRepackMinimize.hh>

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List of all members.

Public Member Functions

 EnzRepackMinimize ()
 EnzRepackMinimize (std::string const name)
virtual ~EnzRepackMinimize ()
void ensure_scofx_cstfication (core::pose::Pose const &pose)
 turns on constraint score terms in case the pose has an enzdes cst cache
void minimize_in_stages (core::pose::Pose &pose, core::pack::task::PackerTaskCOP task, bool const &cstopt, bool const &min_sc, bool const &min_rb, bool const &min_lig)
void apply (core::pose::Pose &pose)
virtual std::string get_name () const
 Each derived class must specify its name. The class name.
protocols::moves::MoverOP clone () const
 clone has to be overridden only if clone invocation is expected.
protocols::moves::MoverOP fresh_instance () const
 this is like clone(), except it generates a new mover object freshly created with the default ctor. This function _should_ be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage).
void parse_my_tag (utility::tag::TagPtr const tag, protocols::moves::DataMap &, protocols::filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &)
 Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.
void set_min_rb (bool const min_rb)
bool const get_min_rb ()
void set_min_sc (bool const min_sc)
bool const get_min_sc ()
void set_min_lig (bool const min_lig)
bool const get_min_lig ()
void set_min_bb (bool const min_bb)
bool const get_min_bb ()
bool get_design () const
void set_design (bool const des)
void set_scorefxn_repack (core::scoring::ScoreFunctionCOP scorefxn)
void set_scorefxn_minimize (core::scoring::ScoreFunctionCOP scorefxn)
core::scoring::ScoreFunctionOP scorefxn_repack () const
core::scoring::ScoreFunctionOP scorefxn_minimize () const
core::pack::task::PackerTaskOP create_ptask (core::pose::Pose &pose)
void task_factory (core::pack::task::TaskFactoryOP p)

Constructor & Destructor Documentation

protocols::enzdes::EnzRepackMinimize::EnzRepackMinimize ( )

Referenced by clone(), and fresh_instance().

protocols::enzdes::EnzRepackMinimize::EnzRepackMinimize ( std::string const  name)
protocols::enzdes::EnzRepackMinimize::~EnzRepackMinimize ( ) [virtual]

Member Function Documentation

void protocols::enzdes::EnzRepackMinimize::apply ( core::pose::Pose pose) [virtual]
protocols::moves::MoverOP protocols::enzdes::EnzRepackMinimize::clone ( ) const [virtual]

clone has to be overridden only if clone invocation is expected.

clone is meant to return an OP'ed deep copy of this object. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function.

Reimplemented from protocols::moves::Mover.

References EnzRepackMinimize().

core::pack::task::PackerTaskOP protocols::enzdes::EnzRepackMinimize::create_ptask ( core::pose::Pose pose)

References protocols::enzdes::TR().

Referenced by apply().

void protocols::enzdes::EnzRepackMinimize::ensure_scofx_cstfication ( core::pose::Pose const &  pose)
protocols::moves::MoverOP protocols::enzdes::EnzRepackMinimize::fresh_instance ( ) const [virtual]

this is like clone(), except it generates a new mover object freshly created with the default ctor. This function _should_ be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage).

fresh_instance is meant to return a new object of this class, created with the default constructor. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function. This is used by the August 08 job distributor.

Reimplemented from protocols::moves::Mover.

References EnzRepackMinimize().

bool protocols::enzdes::EnzRepackMinimize::get_design ( ) const [inline]
bool const protocols::enzdes::EnzRepackMinimize::get_min_bb ( ) [inline]
bool const protocols::enzdes::EnzRepackMinimize::get_min_lig ( ) [inline]
bool const protocols::enzdes::EnzRepackMinimize::get_min_rb ( ) [inline]
bool const protocols::enzdes::EnzRepackMinimize::get_min_sc ( ) [inline]
std::string protocols::enzdes::EnzRepackMinimize::get_name ( ) const [virtual]

Each derived class must specify its name. The class name.

Implements protocols::moves::Mover.

References protocols::enzdes::EnzRepackMinimizeCreator::mover_name().

void protocols::enzdes::EnzRepackMinimize::minimize_in_stages ( core::pose::Pose pose,
core::pack::task::PackerTaskCOP  task,
bool const &  cstopt,
bool const &  min_sc,
bool const &  min_rb,
bool const &  min_lig 
)

References scorefxn_minimize(), and protocols::enzdes::TR().

Referenced by apply().

void protocols::enzdes::EnzRepackMinimize::parse_my_tag ( utility::tag::TagPtr const  tag,
protocols::moves::DataMap data,
protocols::filters::Filters_map const &  filters,
protocols::moves::Movers_map const &  movers,
core::pose::Pose const &  pose 
) [virtual]

Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.

Some movers need not be parsed, so we shouldn't stop executions. This, however, calls attention to the lack of this method, which could be due to something as silly as a wrong parameters definition.

Reimplemented from protocols::moves::Mover.

References protocols::moves::DataMap::get(), protocols::rosetta_scripts::parse_task_operations(), scorefxn_minimize(), scorefxn_repack(), set_min_bb(), set_min_lig(), set_min_rb(), set_min_sc(), task_factory(), and protocols::enzdes::TR().

core::scoring::ScoreFunctionOP protocols::enzdes::EnzRepackMinimize::scorefxn_minimize ( ) const

Referenced by minimize_in_stages(), and parse_my_tag().

core::scoring::ScoreFunctionOP protocols::enzdes::EnzRepackMinimize::scorefxn_repack ( ) const

Referenced by parse_my_tag().

void protocols::enzdes::EnzRepackMinimize::set_design ( bool const  des) [inline]
void protocols::enzdes::EnzRepackMinimize::set_min_bb ( bool const  min_bb) [inline]

Referenced by parse_my_tag().

void protocols::enzdes::EnzRepackMinimize::set_min_lig ( bool const  min_lig) [inline]

Referenced by parse_my_tag().

void protocols::enzdes::EnzRepackMinimize::set_min_rb ( bool const  min_rb) [inline]

Referenced by parse_my_tag().

void protocols::enzdes::EnzRepackMinimize::set_min_sc ( bool const  min_sc) [inline]

Referenced by parse_my_tag().

void protocols::enzdes::EnzRepackMinimize::set_scorefxn_minimize ( core::scoring::ScoreFunctionCOP  scorefxn)
void protocols::enzdes::EnzRepackMinimize::set_scorefxn_repack ( core::scoring::ScoreFunctionCOP  scorefxn)
void protocols::enzdes::EnzRepackMinimize::task_factory ( core::pack::task::TaskFactoryOP  p)

Referenced by parse_my_tag().


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