Discrete3DFunction¶
- class openmm.openmm.Discrete3DFunction(xsize, ysize, zsize, values)¶
This is a TabulatedFunction that computes a discrete three dimensional function f(x,y,z). To evaluate it, x, y, and z are each rounded to the nearest integer and the table element with those indices is returned. If any index is outside the range [0, size), the result is undefined.
- __init__(self, xsize, ysize, zsize, values) → Discrete3DFunction¶
This is a TabulatedFunction that computes a discrete three dimensional function f(x,y,z). To evaluate it, x, y, and z are each rounded to the nearest integer and the table element with those indices is returned. If any index is outside the range [0, size), the result is undefined.
Methods
Copy
(self)__init__
(self, xsize, ysize, zsize, values)This is a TabulatedFunction that computes a discrete three dimensional function f(x,y,z).
getFunctionParameters
(self)getPeriodic
(self)Get the periodicity status of the tabulated function.
getUpdateCount
(self)Get the value of a counter that is updated every time setFunctionParameters() is called.
setFunctionParameters
(self, xsize, ysize, …)Attributes
The membership flag
- property thisown¶
The membership flag
- getFunctionParameters(self)¶
- setFunctionParameters(self, xsize, ysize, zsize, values)¶
- Copy(self) → Discrete3DFunction¶
Deprecated
This will be removed in a future release.
- __eq__(self, other) → bool¶
- __ne__(self, other) → bool¶
- getPeriodic(self) → bool¶
Get the periodicity status of the tabulated function.
- getUpdateCount(self) → int¶
Get the value of a counter that is updated every time setFunctionParameters() is called. This provides a fast way to detect when a function has changed.