Package ffx.openmm
Class Continuous1DFunction
java.lang.Object
ffx.openmm.TabulatedFunction
ffx.openmm.Continuous1DFunction
This is a TabulatedFunction that computes a continuous one dimensional function.
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Field Summary
Fields inherited from class ffx.openmm.TabulatedFunction
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Constructor Summary
ConstructorsConstructorDescriptionContinuous1DFunction(com.sun.jna.ptr.PointerByReference values, double min, double max, boolean periodic) Create a Continuous1DFunction f(x) based on a set of tabulated values. -
Method Summary
Modifier and TypeMethodDescriptionvoiddestroy()Destroy the continuous 1D function.voidgetFunctionParameters(com.sun.jna.ptr.PointerByReference values, com.sun.jna.ptr.DoubleByReference min, com.sun.jna.ptr.DoubleByReference max) Get the parameters for the tabulated function.voidsetFunctionParameters(com.sun.jna.ptr.PointerByReference values, double min, double max) Set the parameters for the tabulated function.Methods inherited from class ffx.openmm.TabulatedFunction
getPeriodic, getPointer, getUpdateCount
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Constructor Details
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Continuous1DFunction
public Continuous1DFunction(com.sun.jna.ptr.PointerByReference values, double min, double max, boolean periodic) Create a Continuous1DFunction f(x) based on a set of tabulated values.- Parameters:
values- the tabulated values of the function f(x) at uniformly spaced values of x between min and max. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero for x < min or x > max.min- the value of x corresponding to the first element of valuesmax- the value of x corresponding to the last element of valuesperiodic- whether the interpolated function is periodic
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Method Details
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destroy
public void destroy()Destroy the continuous 1D function.- Specified by:
destroyin classTabulatedFunction
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getFunctionParameters
public void getFunctionParameters(com.sun.jna.ptr.PointerByReference values, com.sun.jna.ptr.DoubleByReference min, com.sun.jna.ptr.DoubleByReference max) Get the parameters for the tabulated function.- Parameters:
values- the tabulated values of the function f(x) at uniformly spaced values of x between min and max. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero for x < min or x > max.min- the value of x corresponding to the first element of valuesmax- the value of x corresponding to the last element of values
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setFunctionParameters
public void setFunctionParameters(com.sun.jna.ptr.PointerByReference values, double min, double max) Set the parameters for the tabulated function.- Parameters:
values- the tabulated values of the function f(x) at uniformly spaced values of x between min and max. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero for x < min or x > max.min- the value of x corresponding to the first element of valuesmax- the value of x corresponding to the last element of values
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