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Chemical Data Processing Library Python API - Version 1.4.0
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Inheritance diagram for CDPL.Math.Vector3DArrayBFGSMinimizer:Classes | |
| class | Status |
Public Member Functions | |
| None | __init__ (DoubleVector3DArrayFunctor func, object grad_func) |
Initializes the Vector3DArrayBFGSMinimizer instance. More... | |
| int | getObjectID () |
| Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
| float | getGradientNorm () |
| float | getFunctionDelta () |
| float | getFunctionValue () |
| int | getNumIterations () |
| Status | getStatus () |
| Status | minimize (Vector3DArray x, Vector3DArray g, int max_iter, float g_norm, float delta_f, bool do_setup=True) |
| float | setup (Vector3DArray x, Vector3DArray g, float step_size=0.001, float tol=0.15) |
| tuple | iterate (float f, Vector3DArray x, Vector3DArray g) |
Properties | |
| objectID = property(getObjectID) | |
| gradientNorm = property(getGradientNorm) | |
| functionDelta = property(getFunctionDelta) | |
| functionValue = property(getFunctionValue) | |
| numIterations = property(getNumIterations) | |
| status = property(getStatus) | |
| None CDPL.Math.Vector3DArrayBFGSMinimizer.__init__ | ( | DoubleVector3DArrayFunctor | func, |
| object | grad_func | ||
| ) |
Initializes the Vector3DArrayBFGSMinimizer instance.
| func | |
| grad_func |
| int CDPL.Math.Vector3DArrayBFGSMinimizer.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python Vector3DArrayBFGSMinimizer instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b thus cannot tell reliably whether the two Vector3DArrayBFGSMinimizer instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID().