IMP Reference Guide
develop.7cb8855c60,2024/10/08
The Integrative Modeling Platform
|
Base class for functions of one variable. More...
#include <IMP/isd/univariate_functions.h>
Base class for functions of one variable.
Definition at line 24 of file 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 More... | |
virtual void | add_to_particle_derivative (unsigned particle_no, double value, DerivativeAccumulator &accum) const =0 |
update derivatives of particles More... | |
virtual FloatsList | get_derivative_matrix (const FloatsList &xlist, bool stupid) const =0 |
for testing purposes More... | |
virtual Eigen::VectorXd | get_derivative_vector (unsigned particle_no, const FloatsList &xlist) const =0 |
return derivative vector More... | |
virtual ModelObjectsTemp | get_inputs () const =0 |
particle manipulation More... | |
virtual unsigned | get_ndims_x () const =0 |
returns the number of input dimensions More... | |
virtual unsigned | get_ndims_y () const =0 |
returns the number of output dimensions More... | |
virtual unsigned | get_number_of_optimized_particles () const =0 |
returns the number of particles that are optimized More... | |
virtual unsigned | get_number_of_particles () const =0 |
returns the number of particles that this function uses More... | |
virtual bool | get_particle_is_optimized (unsigned particle_no) const =0 |
returns true if the particle whose index is provided is optimized More... | |
virtual Eigen::VectorXd | get_second_derivative_vector (unsigned particle_a, unsigned particle_b, const FloatsList &xlist) const =0 |
return second derivative vector More... | |
virtual FloatsList | get_second_derivative_vector (unsigned particle_a, unsigned particle_b, const FloatsList &xlist, bool stupid) const =0 |
for testing purposes More... | |
virtual bool | has_changed () const =0 |
return true if internal parameters have changed. More... | |
virtual Floats | operator() (const Floats &x) const =0 |
evaluate the function at a certain point More... | |
virtual Eigen::VectorXd | operator() (const IMP::FloatsList &xlist) const =0 |
evaluate the function at a list of points More... | |
virtual FloatsList | operator() (const IMP::FloatsList &xlist, bool stupid) const =0 |
used for testing only More... | |
virtual void | update ()=0 |
update internal parameters More... | |
Public Member Functions inherited from IMP::Object | |
virtual void | clear_caches () |
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. More... | |
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 |
Additional Inherited Members | |
Protected Member Functions inherited from IMP::Object | |
Object (std::string name) | |
Construct an object with the given name. More... | |
virtual void | do_destroy () |
|
pure virtual |
update derivatives of particles
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
update derivatives of particles
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
for testing purposes
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
return derivative vector
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
particle manipulation
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
returns the number of input dimensions
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
returns the number of output dimensions
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
returns the number of particles that are optimized
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
returns the number of particles that this function uses
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
returns true if the particle whose index is provided is optimized
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
return second derivative vector
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
for testing purposes
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
return true if internal parameters have changed.
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
evaluate the function at a certain point
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
evaluate the function at a list of points
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
used for testing only
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.
|
pure virtual |
update internal parameters
Implemented in IMP::isd::GeneralizedGuinierPorodFunction, and IMP::isd::Linear1DFunction.