IMP
2.0.1
The Integrative Modeling Platform
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Base class for functions of one variable.
#include <IMP/isd/univariate_functions.h>
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... | |
Related Functions inherited from IMP::base::Object | |
typedef IMP::base::Vector < IMP::base::WeakPointer < Object > > | ObjectsTemp |
Definition at line 25 of file univariate_functions.h.