Chemical Data Processing Library Python API - Version 1.1.1
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Public Member Functions | |
None | __init__ () |
Initializes the DKabschAlgorithm instance. | |
None | __init__ (DKabschAlgorithm algo) |
Initializes a copy of the DKabschAlgorithm instance algo. More... | |
int | getObjectID () |
Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
DKabschAlgorithm | assign (DKabschAlgorithm algo) |
Replaces the current state of self with a copy of the state of the DKabschAlgorithm instance algo. More... | |
DMatrix | getTransform () |
bool | align (ConstFMatrixExpression points, ConstFMatrixExpression ref_points, bool do_center=True, int max_svd_iter=0) |
bool | align (ConstDMatrixExpression points, ConstDMatrixExpression ref_points, bool do_center=True, int max_svd_iter=0) |
bool | align (ConstFMatrixExpression points, ConstFMatrixExpression ref_points, ConstFVectorExpression weights, bool do_center=True, int max_svd_iter=0) |
bool | align (ConstDMatrixExpression points, ConstDMatrixExpression ref_points, ConstDVectorExpression weights, bool do_center=True, int max_svd_iter=0) |
Properties | |
objectID = property(getObjectID) | |
transform = property(getTransform) | |
None CDPL.Math.DKabschAlgorithm.__init__ | ( | DKabschAlgorithm | algo | ) |
Initializes a copy of the DKabschAlgorithm instance algo.
algo | The DKabschAlgorithm instance to copy. |
int CDPL.Math.DKabschAlgorithm.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python DKabschAlgorithm 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 DKabschAlgorithm 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()
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DKabschAlgorithm CDPL.Math.DKabschAlgorithm.assign | ( | DKabschAlgorithm | algo | ) |
Replaces the current state of self with a copy of the state of the DKabschAlgorithm instance algo.
algo | The DKabschAlgorithm instance to copy. |
DMatrix CDPL.Math.DKabschAlgorithm.getTransform | ( | ) |
bool CDPL.Math.DKabschAlgorithm.align | ( | ConstFMatrixExpression | points, |
ConstFMatrixExpression | ref_points, | ||
bool | do_center = True , |
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int | max_svd_iter = 0 |
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) |
points | |
ref_points | |
do_center | |
max_svd_iter |
bool CDPL.Math.DKabschAlgorithm.align | ( | ConstDMatrixExpression | points, |
ConstDMatrixExpression | ref_points, | ||
bool | do_center = True , |
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int | max_svd_iter = 0 |
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) |
points | |
ref_points | |
do_center | |
max_svd_iter |
bool CDPL.Math.DKabschAlgorithm.align | ( | ConstFMatrixExpression | points, |
ConstFMatrixExpression | ref_points, | ||
ConstFVectorExpression | weights, | ||
bool | do_center = True , |
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int | max_svd_iter = 0 |
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) |
points | |
ref_points | |
weights | |
do_center | |
max_svd_iter |
bool CDPL.Math.DKabschAlgorithm.align | ( | ConstDMatrixExpression | points, |
ConstDMatrixExpression | ref_points, | ||
ConstDVectorExpression | weights, | ||
bool | do_center = True , |
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int | max_svd_iter = 0 |
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) |
points | |
ref_points | |
weights | |
do_center | |
max_svd_iter |