IMP  2.0.1
The Integrative Modeling Platform
IMP::isd::UnivariateFunction Class Referenceabstract

Base class for functions of one variable.

#include <IMP/isd/univariate_functions.h>

+ Inheritance diagram for IMP::isd::UnivariateFunction:

Public Member Functions

 UnivariateFunction (std::string str)
 
virtual void add_to_derivatives (const Floats &x, DerivativeAccumulator &accum) const =0
 update derivatives of particles
 
virtual void add_to_particle_derivative (unsigned particle_no, double value, DerivativeAccumulator &accum) const =0
 update derivatives of particles
 
virtual FloatsList get_derivative_matrix (const FloatsList &xlist, bool stupid) const =0
 for testing purposes
 
virtual Eigen::VectorXd get_derivative_vector (unsigned particle_no, const FloatsList &xlist) const =0
 return derivative vector
 
virtual ContainersTemp get_input_containers () const =0
 
virtual ParticlesTemp get_input_particles () const =0
 particle manipulation
 
virtual unsigned get_ndims_x () const =0
 returns the number of input dimensions
 
virtual unsigned get_ndims_y () const =0
 returns the number of output dimensions
 
virtual unsigned get_number_of_optimized_particles () const =0
 returns the number of particles that are optimized
 
virtual unsigned get_number_of_particles () const =0
 returns the number of particles that this function uses
 
virtual bool get_particle_is_optimized (unsigned particle_no) const =0
 returns true if the particle whose index is provided is optimized
 
virtual Eigen::VectorXd get_second_derivative_vector (unsigned particle_a, unsigned particle_b, const FloatsList &xlist) const =0
 return second derivative vector
 
virtual FloatsList get_second_derivative_vector (unsigned particle_a, unsigned particle_b, const FloatsList &xlist, bool stupid) const =0
 for testing purposes
 
virtual bool has_changed () const =0
 return true if internal parameters have changed.
 
virtual Floats operator() (const Floats &x) const =0
 evaluate the function at a certain point
 
virtual Eigen::VectorXd operator() (const IMP::FloatsList &xlist) const =0
 evaluate the function at a list of points
 
virtual FloatsList operator() (const IMP::FloatsList &xlist, bool stupid) const =0
 used for testing only
 
virtual void update ()=0
 update internal parameters
 
- Public Member Functions inherited from IMP::base::Object
virtual void clear_caches ()
 
virtual IMP::base::VersionInfo get_version_info () const =0
 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)
 

Additional Inherited Members

- Protected Member Functions inherited from IMP::base::Object
 Object (std::string name)
 Construct an object with the given name. More...
 

Detailed Description

Definition at line 25 of file univariate_functions.h.


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