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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