Chemical Data Processing Library Python API - Version 1.1.1
Classes | Public Member Functions | Properties | List of all members
CDPL.Math.Vector3DArrayBFGSMinimizer Class Reference
+ 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)
 

Constructor & Destructor Documentation

◆ __init__()

None CDPL.Math.Vector3DArrayBFGSMinimizer.__init__ ( DoubleVector3DArrayFunctor  func,
object  grad_func 
)

Initializes the Vector3DArrayBFGSMinimizer instance.

Parameters
func
grad_func

Member Function Documentation

◆ getObjectID()

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().

Returns
The numeric ID of the internally referenced C++ class instance.

◆ getGradientNorm()

float CDPL.Math.Vector3DArrayBFGSMinimizer.getGradientNorm ( )
Returns

◆ getFunctionDelta()

float CDPL.Math.Vector3DArrayBFGSMinimizer.getFunctionDelta ( )
Returns

◆ getFunctionValue()

float CDPL.Math.Vector3DArrayBFGSMinimizer.getFunctionValue ( )
Returns

◆ getNumIterations()

int CDPL.Math.Vector3DArrayBFGSMinimizer.getNumIterations ( )
Returns

◆ getStatus()

Status CDPL.Math.Vector3DArrayBFGSMinimizer.getStatus ( )
Returns

◆ minimize()

Status CDPL.Math.Vector3DArrayBFGSMinimizer.minimize ( Vector3DArray  x,
Vector3DArray  g,
int  max_iter,
float  g_norm,
float  delta_f,
bool   do_setup = True 
)
Parameters
x
g
max_iter
g_norm
delta_f
do_setup
Returns

◆ setup()

float CDPL.Math.Vector3DArrayBFGSMinimizer.setup ( Vector3DArray  x,
Vector3DArray  g,
float   step_size = 0.001,
float   tol = 0.15 
)
Parameters
x
g
step_size
tol
Returns

◆ iterate()

tuple CDPL.Math.Vector3DArrayBFGSMinimizer.iterate ( float  f,
Vector3DArray  x,
Vector3DArray  g 
)
Parameters
f
x
g
Returns