Chemical Data Processing Library Python API - Version 1.1.1
|
Public Member Functions | |
None | __init__ (int ctr_idx, Chem.StereoDescriptor descr) |
Initializes the StereoCenterData instance. More... | |
None | __init__ (StereoCenterData data) |
Initializes a copy of the StereoCenterData instance data. More... | |
int | getObjectID () |
Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
int | getCenterIndex () |
Chem.StereoDescriptor | getDescriptor () |
Properties | |
objectID = property(getObjectID) | |
centerIndex = property(getCenterIndex) | |
descriptor = property(getDescriptor) | |
None CDPL.ConfGen.DGConstraintGenerator.StereoCenterData.__init__ | ( | int | ctr_idx, |
Chem.StereoDescriptor | descr | ||
) |
Initializes the StereoCenterData instance.
ctr_idx | |
descr |
None CDPL.ConfGen.DGConstraintGenerator.StereoCenterData.__init__ | ( | StereoCenterData | data | ) |
Initializes a copy of the StereoCenterData instance data.
data | The StereoCenterData instance to copy. |
int CDPL.ConfGen.DGConstraintGenerator.StereoCenterData.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python StereoCenterData 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 StereoCenterData 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()
.
int CDPL.ConfGen.DGConstraintGenerator.StereoCenterData.getCenterIndex | ( | ) |
Chem.StereoDescriptor CDPL.ConfGen.DGConstraintGenerator.StereoCenterData.getDescriptor | ( | ) |