Package ffx.openmm
Class Continuous2DFunction
java.lang.Object
ffx.openmm.TabulatedFunction
ffx.openmm.Continuous2DFunction
This is a TabulatedFunction that computes a continuous two dimensional function.
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Field Summary
Fields inherited from class ffx.openmm.TabulatedFunction
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Constructor Summary
ConstructorsConstructorDescriptionContinuous2DFunction(com.sun.jna.ptr.PointerByReference values, int xsize, int ysize, double xmin, double xmax, double ymin, double ymax, boolean periodic) Create a Continuous2DFunction f(x,y) based on a set of tabulated values. -
Method Summary
Modifier and TypeMethodDescriptionvoiddestroy()Destroy the continuous 2D function.voidgetFunctionParameters(com.sun.jna.ptr.PointerByReference values, com.sun.jna.ptr.IntByReference xsize, com.sun.jna.ptr.IntByReference ysize, com.sun.jna.ptr.DoubleByReference xmin, com.sun.jna.ptr.DoubleByReference xmax, com.sun.jna.ptr.DoubleByReference ymin, com.sun.jna.ptr.DoubleByReference ymax) Get the parameters for the tabulated function.voidsetFunctionParameters(com.sun.jna.ptr.PointerByReference values, int xsize, int ysize, double xmin, double xmax, double ymin, double ymax) 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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Continuous2DFunction
public Continuous2DFunction(com.sun.jna.ptr.PointerByReference values, int xsize, int ysize, double xmin, double xmax, double ymin, double ymax, boolean periodic) Create a Continuous2DFunction f(x,y) based on a set of tabulated values.- Parameters:
values- the tabulated values of the function f(x,y) at xsize uniformly spaced values of x between xmin and xmax, and ysize values of y between ymin and ymax. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero when x or y is outside its specified range. The values should be ordered so that values[i+xsize*j] = f(x_i,y_j), where x_i is the i'th uniformly spaced value of x. This must be of length xsize*ysize.xsize- the number of table elements along the x directionysize- the number of table elements along the y directionxmin- the value of x corresponding to the first element of valuesxmax- the value of x corresponding to the last element of valuesymin- the value of y corresponding to the first element of valuesymax- the value of y 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 2D function.- Specified by:
destroyin classTabulatedFunction
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getFunctionParameters
public void getFunctionParameters(com.sun.jna.ptr.PointerByReference values, com.sun.jna.ptr.IntByReference xsize, com.sun.jna.ptr.IntByReference ysize, com.sun.jna.ptr.DoubleByReference xmin, com.sun.jna.ptr.DoubleByReference xmax, com.sun.jna.ptr.DoubleByReference ymin, com.sun.jna.ptr.DoubleByReference ymax) Get the parameters for the tabulated function.- Parameters:
values- the tabulated values of the function f(x,y) at xsize uniformly spaced values of x between xmin and xmax, and ysize values of y between ymin and ymax. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero when x or y is outside its specified range. The values should be ordered so that values[i+xsize*j] = f(x_i,y_j), where x_i is the i'th uniformly spaced value of x. This must be of length xsize*ysize.xsize- the number of table elements along the x directionysize- the number of table elements along the y directionxmin- the value of x corresponding to the first element of valuesxmax- the value of x corresponding to the last element of valuesymin- the value of y corresponding to the first element of valuesymax- the value of y corresponding to the last element of values
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setFunctionParameters
public void setFunctionParameters(com.sun.jna.ptr.PointerByReference values, int xsize, int ysize, double xmin, double xmax, double ymin, double ymax) Set the parameters for the tabulated function.- Parameters:
values- the tabulated values of the function f(x,y) at xsize uniformly spaced values of x between xmin and xmax, and ysize values of y between ymin and ymax. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero when x or y is outside its specified range. The values should be ordered so that values[i+xsize*j] = f(x_i,y_j), where x_i is the i'th uniformly spaced value of x. This must be of length xsize*ysize.xsize- the number of table elements along the x directionysize- the number of table elements along the y directionxmin- the value of x corresponding to the first element of valuesxmax- the value of x corresponding to the last element of valuesymin- the value of y corresponding to the first element of valuesymax- the value of y corresponding to the last element of values
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