IMP  2.1.1
The Integrative Modeling Platform
Public Member Functions | Protected Member Functions | List of all members
IMP::kernel::ScoreState Class Referenceabstract

ScoreStates maintian invariants in the Model. More...

#include <IMP/kernel/ScoreState.h>

+ Inheritance diagram for IMP::kernel::ScoreState:

Public Member Functions

 ScoreState (kernel::Model *m, std::string name)
 
 ScoreState (kernel::Model *m)
 
 ScoreState (std::string name="ScoreState %1%")
 
void after_evaluate (DerivativeAccumulator *accpt)
 Do post evaluation work if needed.
 
void before_evaluate ()
 Force update of the structure.
 
ContainersTemp get_input_containers () const
 
ParticlesTemp get_input_particles () const
 
ContainersTemp get_output_containers () const
 
ParticlesTemp get_output_particles () const
 
- Public Member Functions inherited from IMP::kernel::ModelObject
 ModelObject (kernel::Model *m, std::string name)
 
 ModelObject (std::string name)
 
virtual void do_set_model (kernel::Model *)
 
bool get_has_dependencies () const
 Return whether this object has dependencies computed.
 
bool get_has_required_score_states () const
 
ModelObjectsTemp get_inputs () const
 
ModelObjectsTemps get_interactions () const
 
bool get_is_part_of_model () const
 
Model * get_model () const
 
ModelObjectsTemp get_outputs () const
 
const ScoreStatesTemp & get_required_score_states () const
 
void set_has_dependencies (bool tf)
 
void set_has_required_score_states (bool tf)
 
virtual void set_model (kernel::Model *m)
 
- Public Member Functions inherited from IMP::base::Object
virtual void clear_caches ()
 
virtual void do_destroy ()
 
CheckLevel get_check_level () const
 
LogLevel get_log_level () const
 
virtual VersionInfo get_version_info () const
 Get information about the module and version of the object.
 
void set_check_level (CheckLevel l)
 
void set_log_level (LogLevel l)
 Set the logging level used in this object. More...
 
void set_was_used (bool tf) const
 
void show (std::ostream &out=std::cout) const
 
const std::string & get_name () const
 
void set_name (std::string name)
 
virtual std::string get_type_name () const
 

Protected Member Functions

virtual void do_after_evaluate (DerivativeAccumulator *accpt)=0
 
virtual void do_before_evaluate ()=0
 
- Protected Member Functions inherited from IMP::kernel::ModelObject
virtual ModelObjectsTemp do_get_inputs () const =0
 
virtual ModelObjectsTemps do_get_interactions () const
 
virtual ModelObjectsTemp do_get_outputs () const =0
 
virtual void handle_set_has_required_score_states (bool)
 
- Protected Member Functions inherited from IMP::base::Object
 Object (std::string name)
 Construct an object with the given name. More...
 
 Object ()
 

Detailed Description

ScoreStates allow actions to be taken before and after the restraint evaluation process. Such code can be used to, for example:

  • log the optimization process
  • maintain constraints (see Constraint)

ScoreStates have two methods which are called during the Model::evaluate() function

  • before_evaluate() which is allowed to change the contents of containers and the value of attributes of particles and
  • after_evaluate() which can change particle derivatives

The Model uses information that the ScoreState reports about its input and output containers and particles to determine a safe order in which all the ScoreState objects registered in the model can be applied. That is, the Model will ensure that a ScoreState that has Particle A in its output list is applied before a ScoreState that has A in its input list. For ScoreState::before_evaluate(), Input and output lists are returned by the respective get_input_* and get_output_* calls. For ScoreState::after_evaluate() they are reversed (see note below).

Note
The input and output sets for the ScoreState::after_evaluate() functions are assumed to be the reverse of the ScoreState::before_evaluate() functions. As a result, the ScoreStates are applied in opposite order after evaluate. If you have a ScoreState for which this is not true, consider splitting it into two parts.

Definition at line 51 of file kernel/ScoreState.h.

Constructor & Destructor Documentation

IMP::kernel::ScoreState::ScoreState ( kernel::Model *  m)
Deprecated:
As of IMP release 2.1. See the IMP Deprecation Policy for more information about deprecation in IMP. Use version that takes a name too.
IMP::kernel::ScoreState::ScoreState ( std::string  name = "ScoreState %1%")
Deprecated:
As of IMP release 2.1. See the IMP Deprecation Policy for more information about deprecation in IMP. Use version that takes a Model instead.

Member Function Documentation

ContainersTemp IMP::kernel::ScoreState::get_input_containers ( ) const
Deprecated:
As of IMP release 2.1. See the IMP Deprecation Policy for more information about deprecation in IMP. use get_inputs() instead.
ParticlesTemp IMP::kernel::ScoreState::get_input_particles ( ) const
Deprecated:
As of IMP release 2.1. See the IMP Deprecation Policy for more information about deprecation in IMP. use get_inputs() instead.
ContainersTemp IMP::kernel::ScoreState::get_output_containers ( ) const
Deprecated:
As of IMP release 2.1. See the IMP Deprecation Policy for more information about deprecation in IMP. use get_outputs() instead.
ParticlesTemp IMP::kernel::ScoreState::get_output_particles ( ) const
Deprecated:
As of IMP release 2.1. See the IMP Deprecation Policy for more information about deprecation in IMP. use get_outputs() instead.
The documentation for this class was generated from the following file: