Rosetta 3.4
Public Member Functions
protocols::ligand_docking::LigandDockMain Class Reference
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List of all members.

Public Member Functions

 LigandDockMain ()
virtual ~LigandDockMain ()
virtual void apply (core::pose::Pose &pose)
 Creates a new hierarchy of Movers for each Pose passed in.
virtual std::string get_name () const
 Each derived class must specify its name. The class name.
virtual 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).
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.
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).

Constructor & Destructor Documentation

protocols::ligand_docking::LigandDockMain::LigandDockMain ( ) [inline]
virtual protocols::ligand_docking::LigandDockMain::~LigandDockMain ( ) [inline, virtual]

Member Function Documentation

virtual void protocols::ligand_docking::LigandDockMain::apply ( core::pose::Pose pose) [inline, virtual]

Creates a new hierarchy of Movers for each Pose passed in.

Some Movers (e.g. repack) require knowledge of the Pose to create, and are only valid for that Pose and other conformations of it (i.e. poses with the same number of residues, jumps, etc). In general, we expect each Pose coming in here to be from a different PDB file. The cost of creating these objects anew should be minimal compared to the processing work they do.

Reimplemented from protocols::ligand_docking::LigandDockProtocol.

References protocols::ligand_docking::LigandDockProtocol::append_ligand_docking_scores(), protocols::nonlocal::current_job(), core::sequence::end, protocols::jd2::JobDistributor::get_instance(), protocols::ligand_docking::LigandBaseProtocol::get_scorefxn(), and core::import_pose::atom_tree_diffs::map_of_weighted_scores().

virtual protocols::moves::MoverOP protocols::ligand_docking::LigandDockMain::fresh_instance ( ) const [inline, 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 LigandDockMain().

virtual std::string protocols::ligand_docking::LigandDockMain::get_name ( ) const [inline, virtual]

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

Reimplemented from protocols::ligand_docking::LigandDockProtocol.

virtual bool protocols::ligand_docking::LigandDockMain::reinitialize_for_each_job ( ) const [inline, virtual]

this function informs the job distributor (august 08 vintage) whether this object needs to be freshly regenerated on each use.

Movers default to not regenerating

Reimplemented from protocols::moves::Mover.

virtual bool protocols::ligand_docking::LigandDockMain::reinitialize_for_new_input ( ) const [inline, virtual]

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).

Movers default to not regenerating

Reimplemented from protocols::moves::Mover.


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