Chemical Data Processing Library Python API - Version 1.1.1
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Public Member Functions | |
None | __init__ (float ang, float tol1, float tol2, float score) |
Initializes the AngleEntry instance. More... | |
None | __init__ (AngleEntry entry) |
Initializes a copy of the AngleEntry instance entry. More... | |
int | getObjectID () |
Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
AngleEntry | assign (AngleEntry entry) |
Replaces the current state of self with a copy of the state of the AngleEntry instance entry. More... | |
float | getAngle () |
float | getScore () |
float | getTolerance1 () |
float | getTolerance2 () |
Properties | |
objectID = property(getObjectID) | |
angle = property(getAngle) | |
score = property(getScore) | |
tolerance1 = property(getTolerance1) | |
tolerance2 = property(getTolerance2) | |
None CDPL.ConfGen.TorsionRule.AngleEntry.__init__ | ( | float | ang, |
float | tol1, | ||
float | tol2, | ||
float | score | ||
) |
Initializes the AngleEntry instance.
ang | |
tol1 | |
tol2 | |
score |
None CDPL.ConfGen.TorsionRule.AngleEntry.__init__ | ( | AngleEntry | entry | ) |
Initializes a copy of the AngleEntry instance entry.
entry | The AngleEntry instance to copy. |
int CDPL.ConfGen.TorsionRule.AngleEntry.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python AngleEntry 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 AngleEntry 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()
.
AngleEntry CDPL.ConfGen.TorsionRule.AngleEntry.assign | ( | AngleEntry | entry | ) |
Replaces the current state of self with a copy of the state of the AngleEntry instance entry.
entry | The AngleEntry instance to copy. |
float CDPL.ConfGen.TorsionRule.AngleEntry.getAngle | ( | ) |
float CDPL.ConfGen.TorsionRule.AngleEntry.getScore | ( | ) |
float CDPL.ConfGen.TorsionRule.AngleEntry.getTolerance1 | ( | ) |
float CDPL.ConfGen.TorsionRule.AngleEntry.getTolerance2 | ( | ) |