IMP
2.0.1
The Integrative Modeling Platform
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Covariance function.
#include <IMP/isd/bivariate_functions.h>
Public Member Functions | |
Covariance1DFunction (Particle *tau, Particle *ilambda, double alpha=2.0, double jitter=0.0, double cutoff=1e-7) | |
void | add_to_derivatives (const Floats &x1, const Floats &x2, DerivativeAccumulator &accum) const |
update derivatives of particles | |
void | add_to_particle_derivative (unsigned particle_no, double value, DerivativeAccumulator &accum) const |
update derivatives of particles | |
Eigen::MatrixXd | get_derivative_matrix (unsigned particle_no, const FloatsList &xlist) const |
return derivative matrix | |
FloatsList | get_derivative_matrix (unsigned particle_no, const FloatsList &xlist, bool) const |
ContainersTemp | get_input_containers () const |
ParticlesTemp | get_input_particles () const |
particle manipulation | |
unsigned | get_ndims_x1 () const |
returns the number of input dimensions | |
unsigned | get_ndims_x2 () const |
unsigned | get_ndims_y () const |
returns the number of output dimensions | |
unsigned | get_number_of_optimized_particles () const |
returns the number of particles that are optimized | |
unsigned | get_number_of_particles () const |
returns the number of particles that this function uses | |
bool | get_particle_is_optimized (unsigned particle_no) const |
returns true if the particle whose index is provided is optimized | |
Eigen::MatrixXd | get_second_derivative_matrix (unsigned particle_a, unsigned particle_b, const FloatsList &xlist) const |
return second derivative matrix | |
FloatsList | get_second_derivative_matrix (unsigned particle_a, unsigned particle_b, const FloatsList &xlist, bool) const |
bool | has_changed () const |
return true if internal parameters have changed. | |
Floats | operator() (const Floats &x1, const Floats &x2) const |
evaluate the function at a certain point | |
Eigen::MatrixXd | operator() (const IMP::FloatsList &xlist) const |
evaluate the function at a list of points | |
FloatsList | operator() (const IMP::FloatsList &xlist, bool) const |
used for testing only | |
void | update () |
update internal parameters | |
Public Member Functions inherited from IMP::isd::BivariateFunction | |
BivariateFunction (std::string str) | |
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 126 of file bivariate_functions.h.