#include <RCAngleRMSD.hh>
Inherits prf::Observable.
Inheritance diagram for prf::RCAngleRMSD:
Public Member Functions | |
| int | init_obs () |
| All observables must implement one initialize routine. | |
| void | refresh (int curT) |
| Analyze Ramachandran angle differences from reference. | |
| double | rc_sq_diff (int i) const |
| Squared RC angle difference for the i'th residue in the whole system. | |
| void | rangeEstimate (double &x0, double &x1) |
| Estimate a range in which values of this observable are expected. | |
The reference phi and psi angles for each residue can be given in a file, or calculated from a PDB file.
| int RCAngleRMSD::init_obs | ( | ) | [virtual] |
Even if it seems that one particular observable might need additional arguments during initialization, it is advantageous to have a uniform syntax for all of them. So, when additional arguments are needed, one should provide them in a separate function called before initialization, and then call init_obs without arguments. The name init_obs instead of a more natural "init" or "initialize" is because an Observable often inherits from other classes which represent its character more fundamentally. So, the names such as "init" are kept free for such base classes.
Reimplemented from prf::Observable.
| void RCAngleRMSD::rangeEstimate | ( | double & | x0, | |
| double & | x1 | |||
| ) | [virtual] |
The default is between 0 and 1. So, for observables with values always between 0 and 1, you need not over-write this virtual function. Sometimes the observable will have a different fixed range, determined by its definition. Sometimes the range can not be determined perfectly. In such a case, let this function just return something reasonable.
Reimplemented from prf::Observable.