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protocols::enzdes::AddOrRemoveMatchCsts Class Reference

A simple wrapper to get the functionality in EnzConstraintIO into mover format. More...

#include <AddorRemoveCsts.hh>

Inheritance diagram for protocols::enzdes::AddOrRemoveMatchCsts:
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Collaboration diagram for protocols::enzdes::AddOrRemoveMatchCsts:
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Public Member Functions

 AddOrRemoveMatchCsts ()
 
 AddOrRemoveMatchCsts (AddOrRemoveMatchCsts const &other)
 
 ~AddOrRemoveMatchCsts ()
 
protocols::moves::MoverOP clone () const
 clone has to be overridden only if clone invocation is expected. More...
 
virtual std::string get_name () const
 Each derived class must specify its name. The class name. More...
 
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). More...
 
void apply (core::pose::Pose &pose)
 
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. More...
 
virtual void parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks, protocols::moves::MoverCacheSP cache)
 
void cstfile (std::string const &setting)
 
void set_cst_action (CstAction action)
 
void set_accept_blocks_missing_header (bool setting)
 
void set_keep_covalent (bool setting)
 
- Public Member Functions inherited from protocols::moves::Mover
 Mover ()
 
virtual ~Mover ()
 
virtual MoverSP create ()
 
virtual void apply (core::io::serialization::PipeMap &pmap)
 
virtual void parse_state (SerializableState const &state)
 
virtual void save_state (SerializableState &state)
 
 Mover (std::string const &type_name)
 sets the type for a mover; name_ has been removed (2010/05/14) More...
 
 Mover (Mover const &other)
 
Moveroperator= (Mover const &other)
 assignment operator More...
 
virtual core::Real last_proposal_density_ratio ()
 
std::string const & type () const
 
std::string get_current_tag () const
 A tag is a unique identifier used to identify structures produced by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor. More...
 
void set_current_tag (std::string const &new_tag)
 
virtual void set_input_pose (PoseCOP pose)
 setter for poses contained for rms More...
 
virtual void set_native_pose (PoseCOP pose)
 setter for native poses contained for rms -— we should get rid of this method? it is widely used, but a bit unsafe More...
 
PoseCOP get_input_pose () const
 
PoseCOP get_native_pose () const
 
virtual void test_move (Pose &pose)
 : Unit test support function. Apply one move to a given pose. Allows extra test specific functions to be called before applying More...
 
void type (const std::string &type_in)
 
std::string get_type () const
 
MoverStatus get_last_move_status () const
 end parser interface, start Job Distributor interface///////////// More...
 
void reset_status ()
 resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s. More...
 
virtual core::pose::PoseOP get_additional_output ()
 Mechanism by which a mover may return multiple output poses from a single input pose. More...
 
virtual void clear_info ()
 Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file. More...
 
virtual Stringsinfo ()
 non-const accessor More...
 
virtual Strings const & info () const
 const accessor More...
 
virtual bool reinitialize_for_each_job () const
 this function informs the job distributor (august 08 vintage) whether this object needs to be freshly regenerated on each use. More...
 
virtual bool reinitialize_for_new_input () const
 this function informs the job distributor (august 08 vintage) whether this object needs to be regenerated when the input pose is about to change (for example, if the mover has special code on the first apply() that is only valid for that one input pose). More...
 
void set_current_job (protocols::jobdist::BasicJobCOP job)
 
jobdist::BasicJobCOP get_current_job () const
 

Static Public Member Functions

static
toolbox::match_enzdes_util::EnzConstraintIOCOP 
get_const_EnzConstraintIO_for_cstfile (std::string cstfile="")
 
- Static Public Member Functions inherited from protocols::moves::Mover
static std::string name ()
 
static void register_options ()
 overload this static method if you access options within the mover. these options will end up in -help of your application if users of this mover call register_options. do this recursively! if you use movers within your mover, call their register_options in your register_options() method. More...
 

Protected Member Functions

toolbox::match_enzdes_util::EnzConstraintIOOP get_EnzConstraintIO_for_cstfile (std::string const cstfile)
 
- Protected Member Functions inherited from protocols::moves::Mover
void set_last_move_status (MoverStatus status)
 nonvirtual setter for MoverStatus last_status_. Protected means that only the mover itself will be able to change its own status. The job distributor (august 08 vintage) is aware of status set with this function and will do what the MoverStatus says. More...
 

Private Attributes

std::string option_cstfile_
 
std::string cstfile_
 
CstAction cst_action_
 
bool keep_covalent_
 
bool accept_blocks_missing_header_
 
bool fail_on_constraints_missing_
 
core::scoring::ScoreFunctionOP sfxn_
 

Static Private Attributes

static std::map< std::string,
toolbox::match_enzdes_util::EnzConstraintIOOP
cstfile_map_
 Save the contents of the constraint files that are read in for reuse. More...
 

Additional Inherited Members

- Public Types inherited from protocols::moves::Mover
typedef utility::tag::TagPtr TagPtr
 
typedef core::pose::Pose Pose
 
typedef core::pose::PoseCOP PoseCOP
 
typedef
protocols::filters::Filters_map 
Filters_map
 
typedef std::list< std::string > Strings
 

Detailed Description

A simple wrapper to get the functionality in EnzConstraintIO into mover format.

Constructor & Destructor Documentation

protocols::enzdes::AddOrRemoveMatchCsts::AddOrRemoveMatchCsts ( )
protocols::enzdes::AddOrRemoveMatchCsts::AddOrRemoveMatchCsts ( AddOrRemoveMatchCsts const &  other)
protocols::enzdes::AddOrRemoveMatchCsts::~AddOrRemoveMatchCsts ( )

Member Function Documentation

void protocols::enzdes::AddOrRemoveMatchCsts::apply ( core::pose::Pose pose)
virtual
protocols::moves::MoverOP protocols::enzdes::AddOrRemoveMatchCsts::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 AddOrRemoveMatchCsts().

void protocols::enzdes::AddOrRemoveMatchCsts::cstfile ( std::string const &  setting)

References cstfile_.

Referenced by apply().

protocols::moves::MoverOP protocols::enzdes::AddOrRemoveMatchCsts::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 AddOrRemoveMatchCsts().

toolbox::match_enzdes_util::EnzConstraintIOCOP protocols::enzdes::AddOrRemoveMatchCsts::get_const_EnzConstraintIO_for_cstfile ( std::string  cstfile = "")
static
toolbox::match_enzdes_util::EnzConstraintIOOP protocols::enzdes::AddOrRemoveMatchCsts::get_EnzConstraintIO_for_cstfile ( std::string const  cstfile)
protected
std::string protocols::enzdes::AddOrRemoveMatchCsts::get_name ( ) const
virtual

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

Implements protocols::moves::Mover.

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

void protocols::enzdes::AddOrRemoveMatchCsts::parse_def ( utility::lua::LuaObject const &  def,
utility::lua::LuaObject const &  score_fxns,
utility::lua::LuaObject const &  tasks,
protocols::moves::MoverCacheSP  cache 
)
virtual
void protocols::enzdes::AddOrRemoveMatchCsts::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 accept_blocks_missing_header_, protocols::enzdes::ADD_NEW, protocols::enzdes::ADD_PREGENERATED, cst_action_, cstfile_, fail_on_constraints_missing_, keep_covalent_, option_cstfile_, protocols::enzdes::REMOVE, and protocols::enzdes::tr().

void protocols::enzdes::AddOrRemoveMatchCsts::set_accept_blocks_missing_header ( bool  setting)
inline
void protocols::enzdes::AddOrRemoveMatchCsts::set_cst_action ( CstAction  action)
inline
void protocols::enzdes::AddOrRemoveMatchCsts::set_keep_covalent ( bool  setting)
inline

Member Data Documentation

bool protocols::enzdes::AddOrRemoveMatchCsts::accept_blocks_missing_header_
private
CstAction protocols::enzdes::AddOrRemoveMatchCsts::cst_action_
private
std::string protocols::enzdes::AddOrRemoveMatchCsts::cstfile_
private
std::map< std::string, toolbox::match_enzdes_util::EnzConstraintIOOP > protocols::enzdes::AddOrRemoveMatchCsts::cstfile_map_
staticprivate

Save the contents of the constraint files that are read in for reuse.

Referenced by apply(), get_const_EnzConstraintIO_for_cstfile(), and get_EnzConstraintIO_for_cstfile().

bool protocols::enzdes::AddOrRemoveMatchCsts::fail_on_constraints_missing_
private

Referenced by apply(), parse_def(), and parse_my_tag().

bool protocols::enzdes::AddOrRemoveMatchCsts::keep_covalent_
private
std::string protocols::enzdes::AddOrRemoveMatchCsts::option_cstfile_
private
core::scoring::ScoreFunctionOP protocols::enzdes::AddOrRemoveMatchCsts::sfxn_
private

atm this scorefunction is only used if the user specifes a covalent ambiguous constraint in which case the ambiguity is resolved at the time of newly adding the constraints, and the covalent connection established according to the then best constraints.

Referenced by AddOrRemoveMatchCsts(), and apply().


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