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RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
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#include <NMSimplex.h>
Public Member Functions | |
Simplex (const Criterion &criterion) | |
void | Optimize (Function &fun) |
const ParameterType & | GetBestParameters () const |
DataType | GetBestValue () const |
void | SetStartPoint (const ParameterType &point) |
void | SetDelta (DataType delta) |
void | SetDelta (ParameterType deltas) |
The Nelder-Mead Simplex algorithm Complies to a simple and standard interface
DataType | is the type of inner values to consider |
ParameterType | is the type of ParameterType (Eigen if possible) |
Function | is the type of Function to optimize |
Criterion | is the type of the stopping Criterion |
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inline |
Retrieves the best parameters
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inline |
Retrieves the best final value