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Rosetta
2020.11
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#include <MC_Any.hh>
Public Member Functions | |
MC_Any () | |
~MC_Any () override | |
void | init () override |
Initialization. More... | |
void | operator++ () override |
Move to next rotamer. More... | |
void | apply (core::pose::Pose &pose) override |
Apply the current rotamer to pose. More... | |
toolbox::SamplerPlusPlusType | type () const override |
Type of class (see enum in SamplerPlusPlusTypes.hh) More... | |
core::Size | curr_id () const |
MC_SamplerCOP | rotamer () const |
void | show (std::ostream &out, Size const indent=0) const override |
output summary of class More... | |
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MC_Comb () | |
~MC_Comb () override | |
void | init () override |
Initialization. More... | |
void | reset () override |
Reset to the first (or random if random()) rotamer. More... | |
void | operator++ () override |
Move to next rotamer. More... | |
void | update () override |
Update the DOFs. More... | |
void | apply (core::pose::Pose &pose) override |
Apply the current rotamer to pose. More... | |
void | set_uniform_modeler (bool const setting) override |
Get uniform modeler state. More... | |
virtual void | add_rotamer (MC_SamplerOP const &rotamer) |
Add one more rotamer sampler to this sampler. More... | |
virtual void | clear_rotamer () |
Clear all rotamer samplers stored in this sampler. More... | |
toolbox::SamplerPlusPlusType | type () const override |
Type of class (see enum in toolbox::SamplerPlusPlusTypes.hh) More... | |
void | set_update_pose (core::pose::PoseCOP setting) override |
set (optional) update_pose More... | |
void | show (std::ostream &out, Size const indent=0) const override |
output summary of class More... | |
MC_SamplerOP | find (core::id::TorsionID const &torsion_id) override |
return OP to the subsampler that controls exactly this torsion_id (assume only one). More... | |
core::Size | num_rotamers () const |
MC_SamplerOP | operator[] (Size const id) |
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MC_Sampler () | |
~MC_Sampler () override | |
virtual bool | uniform_modeler () const |
Get uniform modeler state. More... | |
bool | found_move () const |
check if ++ did anything to pose. More... | |
std::string | get_name () const override |
Name of the class. More... | |
void | set_name (std::string const &setting) |
Set name of the class. More... | |
void | restore (core::pose::Pose &) |
restore pose to state prior to this sampler's apply(). Would enable big speedup in monte carlo by obviating pose copies. More... | |
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SamplerPlusPlus () | |
~SamplerPlusPlus () override | |
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Mover () | |
virtual MoverOP | create () |
MoverCOP | get_self_ptr () const |
MoverOP | get_self_ptr () |
MoverCAP | get_self_weak_ptr () const |
MoverAP | get_self_weak_ptr () |
Mover (std::string const &type_name) | |
sets the type for a mover; name_ has been removed (2010/05/14) More... | |
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... | |
virtual MoverOP | clone () const |
Return a clone of the Mover object. More... | |
virtual bool | reinitialize_for_each_job () const |
Inform 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 |
Inform 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... | |
virtual MoverOP | fresh_instance () const |
Generates a new Mover object freshly created with the default ctor. More... | |
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... | |
void | set_type (std::string const &setting) |
Set the 'type' string. More... | |
std::string | get_type () const |
void | type (const std::string &type_in) |
Set the 'type' string. More... | |
std::string const & | type () const |
Get the set 'type' string. More... | |
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 | parse_my_tag (TagCOP tag, basic::datacache::DataMap &data, Filters_map const &filters, Movers_map const &movers, Pose const &pose) |
Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More... | |
void | set_current_job (protocols::jobdist::BasicJobCOP job) |
jobdist::BasicJobCOP | get_current_job () const |
virtual void | set_current_tag (std::string const &new_tag) |
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... | |
virtual void | show (std::ostream &output=std::cout) const |
Outputs details about the Mover, including current settings. More... | |
virtual core::Real | last_proposal_density_ratio () |
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 Strings & | info () |
non-const accessor More... | |
virtual Strings const & | info () const |
const accessor More... | |
virtual bool | mover_provides_citation_info () const |
Does this mover provide information about how to cite it? More... | |
virtual utility::vector1 < basic::citation_manager::CitationCollectionCOP > | provide_citation_info () const |
Provide the citation. More... | |
virtual bool | mover_is_unpublished () const |
Does this mover indicate that it is unpublished (and, by extension, that the author should be included in publications resulting from it)? More... | |
virtual utility::vector1 < basic::citation_manager::UnpublishedModuleInfoCOP > | provide_authorship_info_for_unpublished () const |
Provide a list of authors and their e-mail addresses, as strings. More... | |
Protected Attributes | |
core::Size | curr_id_ |
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utility::vector1< MC_SamplerOP > | rotamer_list_ |
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bool | found_move_ |
used to prevent simulated tempering from counting move if its filtered out. More... | |
PoseCOP | update_pose_ |
optional: pose accumulating changes in markov chain monte carlo, can use for updating sampler. More... | |
std::string | name_ |
Additional Inherited Members | |
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typedef utility::vector1 < core::Real > | TorsionList |
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typedef utility::tag::TagCOP | TagCOP |
typedef core::pose::Pose | Pose |
typedef core::pose::PoseCOP | PoseCOP |
typedef protocols::filters::Filters_map | Filters_map |
typedef std::list< std::string > | Strings |
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static std::string | name () |
static void | register_options () |
Overload this static method if you access options within the mover. More... | |
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bool | is_init () const |
return OP to the subsampler that controls exactly this torsion_id (assume only one). This is worked out in recces/sampler/MC_Sampler & derived classes – wouldn't be too hard to generalize to stepwise/sampler/ classes, too. More... | |
void | set_init (bool const setting) |
Set the initialization state. More... | |
template<class T > | |
void | set_and_reinit (T ¶ms, T const &setting) |
Set value of a parameter, return to pre-init state. More... | |
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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... | |
protocols::recces::sampler::MC_Any::MC_Any | ( | ) |
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overridedefault |
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overridevirtual |
Apply the current rotamer to pose.
Implements protocols::toolbox::SamplerPlusPlus.
References curr_id_, protocols::recces::sampler::MC_Sampler::found_move_, protocols::toolbox::SamplerPlusPlus::is_init(), and protocols::recces::sampler::MC_Comb::rotamer_list_.
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inline |
References curr_id_.
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overridevirtual |
Initialization.
Implements protocols::toolbox::SamplerPlusPlus.
References curr_id_, and protocols::recces::sampler::MC_Comb::init().
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overridevirtual |
Move to next rotamer.
Implements protocols::toolbox::SamplerPlusPlus.
Reimplemented in protocols::recces::sampler::MC_Loop.
References curr_id_, protocols::recces::sampler::MC_Comb::num_rotamers(), core::scoring::rg, and protocols::recces::sampler::MC_Comb::rotamer_list_.
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inline |
References curr_id_, and protocols::recces::sampler::MC_Comb::rotamer_list_.
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overridevirtual |
output summary of class
Reimplemented from protocols::toolbox::SamplerPlusPlus.
Reimplemented in protocols::recces::sampler::MC_Loop.
References protocols::recces::sampler::MC_Comb::rotamer_list_.
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inlineoverridevirtual |
Type of class (see enum in SamplerPlusPlusTypes.hh)
Implements protocols::toolbox::SamplerPlusPlus.
Reimplemented in protocols::recces::sampler::MC_Loop.
References protocols::toolbox::MC_ANY.
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protected |
Referenced by apply(), curr_id(), init(), protocols::recces::sampler::MC_Loop::operator++(), operator++(), and rotamer().