#include <ramachandran.h>
Public Member Functions | |
void | init (const int &size) |
initialise: with sampling | |
void | accumulate (const ftype32 table[]) |
accumulate new table of samples to probability | |
void | accumulate (const ftype &phi1, const ftype &phi2, ftype wgt=1.0) |
accumulate new sample to probability | |
void | normalise () |
normalise to integrate to 1/(2pi)^2 | |
ftype | probability (const ftype &phi1, const ftype &phi2) const |
get probability for a particular pair of angles | |
String | format () const |
formatted string representation (as C++ code) | |
const ftype & | data (const int &i, const int &j) const |
2d read access | |
ftype & | data (const int &i, const int &j) |
2d write access |
Base for Ramachandran class (and other similar classes, such as a pseudo-ramachandran plot or the JPD of two phases ).
accumulate new sample to probability
linear interpolation onto grid
void clipper::Prob_phi_2d::normalise | ( | ) |
normalise to integrate to 1/(2pi)^2
normalise mean value to 1/(2pi)^2
get probability for a particular pair of angles
linear interpolation off of grid
Reimplemented in clipper::Ramachandran.