OpenMM
Continuous3DFunction Class Reference

This is a TabulatedFunction that computes a continuous three dimensional function. More...

`#include <TabulatedFunction.h>`

Inheritance diagram for Continuous3DFunction:

## Public Member Functions

Continuous3DFunction (int xsize, int ysize, int zsize, const std::vector< double > &values, double xmin, double xmax, double ymin, double ymax, double zmin, double zmax)
Create a Continuous3DFunction f(x,y,z) based on a set of tabulated values. More...

void getFunctionParameters (int &xsize, int &ysize, int &zsize, std::vector< double > &values, double &xmin, double &xmax, double &ymin, double &ymax, double &zmin, double &zmax) const
Get the parameters for the tabulated function. More...

void setFunctionParameters (int xsize, int ysize, int zsize, const std::vector< double > &values, double xmin, double xmax, double ymin, double ymax, double zmin, double zmax)
Set the parameters for the tabulated function. More...

Continuous3DFunctionCopy () const
Create a deep copy of the tabulated function. More...

Public Member Functions inherited from TabulatedFunction
virtual ~TabulatedFunction ()

## Detailed Description

This is a TabulatedFunction that computes a continuous three dimensional function.

## Constructor & Destructor Documentation

 Continuous3DFunction ( int xsize, int ysize, int zsize, const std::vector< double > & values, double xmin, double xmax, double ymin, double ymax, double zmin, double zmax )

Create a Continuous3DFunction f(x,y,z) based on a set of tabulated values.

Parameters
 values the tabulated values of the function f(x,y,z) at xsize uniformly spaced values of x between xmin and xmax, ysize values of y between ymin and ymax, and zsize values of z between zmin and zmax. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero when x, y, or z is outside its specified range. The values should be ordered so that values[i+xsize*j+xsize*ysize*k] = f(x_i,y_j,z_k), where x_i is the i'th uniformly spaced value of x. This must be of length xsize*ysize*zsize. xsize the number of table elements along the x direction ysize the number of table elements along the y direction ysize the number of table elements along the z direction xmin the value of x corresponding to the first element of values xmax the value of x corresponding to the last element of values ymin the value of y corresponding to the first element of values ymax the value of y corresponding to the last element of values zmin the value of z corresponding to the first element of values zmax the value of z corresponding to the last element of values

## Member Function Documentation

 Continuous3DFunction* Copy ( ) const
virtual

Create a deep copy of the tabulated function.

Implements TabulatedFunction.

 void getFunctionParameters ( int & xsize, int & ysize, int & zsize, std::vector< double > & values, double & xmin, double & xmax, double & ymin, double & ymax, double & zmin, double & zmax ) const

Get the parameters for the tabulated function.

Parameters
 values the tabulated values of the function f(x,y,z) at xsize uniformly spaced values of x between xmin and xmax, ysize values of y between ymin and ymax, and zsize values of z between zmin and zmax. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero when x, y, or z is outside its specified range. The values should be ordered so that values[i+xsize*j+xsize*ysize*k] = f(x_i,y_j,z_k), where x_i is the i'th uniformly spaced value of x. This must be of length xsize*ysize*zsize. xsize the number of table elements along the x direction ysize the number of table elements along the y direction ysize the number of table elements along the z direction xmin the value of x corresponding to the first element of values xmax the value of x corresponding to the last element of values ymin the value of y corresponding to the first element of values ymax the value of y corresponding to the last element of values zmin the value of z corresponding to the first element of values zmax the value of z corresponding to the last element of values
 void setFunctionParameters ( int xsize, int ysize, int zsize, const std::vector< double > & values, double xmin, double xmax, double ymin, double ymax, double zmin, double zmax )

Set the parameters for the tabulated function.

Parameters
 values the tabulated values of the function f(x,y,z) at xsize uniformly spaced values of x between xmin and xmax, ysize values of y between ymin and ymax, and zsize values of z between zmin and zmax. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero when x, y, or z is outside its specified range. The values should be ordered so that values[i+xsize*j+xsize*ysize*k] = f(x_i,y_j,z_k), where x_i is the i'th uniformly spaced value of x. This must be of length xsize*ysize*zsize. xsize the number of table elements along the x direction ysize the number of table elements along the y direction ysize the number of table elements along the z direction xmin the value of x corresponding to the first element of values xmax the value of x corresponding to the last element of values ymin the value of y corresponding to the first element of values ymax the value of y corresponding to the last element of values zmin the value of z corresponding to the first element of values zmax the value of z corresponding to the last element of values

The documentation for this class was generated from the following file: