// Copyright ©2014 The gonum Authors. All rights reserved. // Use of this source code is governed by a BSD-style // license that can be found in the LICENSE file. // Package fd provides functions to approximate derivatives using finite differences. package fd // import "gonum.org/v1/gonum/diff/fd" import ( "math" "runtime" ) // A Point is a stencil location in a finite difference formula. type Point struct { Loc float64 Coeff float64 } // Formula represents a finite difference formula on a regularly spaced grid // that approximates the derivative of order k of a function f at x as // d^k f(x) ≈ (1 / Step^k) * \sum_i Coeff_i * f(x + Step * Loc_i). // Step must be positive, or the finite difference formula will panic. type Formula struct { // Stencil is the set of sampling Points which are used to estimate the // derivative. The locations will be scaled by Step and are relative to x. Stencil []Point Derivative int // The order of the approximated derivative. Step float64 // Default step size for the formula. } func (f Formula) isZero() bool { return f.Stencil == nil && f.Derivative == 0 && f.Step == 0 } // Settings is the settings structure for computing finite differences. type Settings struct { // Formula is the finite difference formula used // for approximating the derivative. // Zero value indicates a default formula. Formula Formula // Step is the distance between points of the stencil. // If equal to 0, formula's default step will be used. Step float64 OriginKnown bool // Flag that the value at the origin x is known. OriginValue float64 // Value at the origin (only used if OriginKnown is true). Concurrent bool // Should the function calls be executed concurrently. } // Forward represents a first-order accurate forward approximation // to the first derivative. var Forward = Formula{ Stencil: []Point{{Loc: 0, Coeff: -1}, {Loc: 1, Coeff: 1}}, Derivative: 1, Step: 2e-8, } // Forward2nd represents a first-order accurate forward approximation // to the second derivative. var Forward2nd = Formula{ Stencil: []Point{{Loc: 0, Coeff: 1}, {Loc: 1, Coeff: -2}, {Loc: 2, Coeff: 1}}, Derivative: 2, Step: 1e-4, } // Backward represents a first-order accurate backward approximation // to the first derivative. var Backward = Formula{ Stencil: []Point{{Loc: -1, Coeff: -1}, {Loc: 0, Coeff: 1}}, Derivative: 1, Step: 2e-8, } // Backward2nd represents a first-order accurate forward approximation // to the second derivative. var Backward2nd = Formula{ Stencil: []Point{{Loc: 0, Coeff: 1}, {Loc: -1, Coeff: -2}, {Loc: -2, Coeff: 1}}, Derivative: 2, Step: 1e-4, } // Central represents a second-order accurate centered approximation // to the first derivative. var Central = Formula{ Stencil: []Point{{Loc: -1, Coeff: -0.5}, {Loc: 1, Coeff: 0.5}}, Derivative: 1, Step: 6e-6, } // Central2nd represents a secord-order accurate centered approximation // to the second derivative. var Central2nd = Formula{ Stencil: []Point{{Loc: -1, Coeff: 1}, {Loc: 0, Coeff: -2}, {Loc: 1, Coeff: 1}}, Derivative: 2, Step: 1e-4, } var negativeStep = "fd: negative step" // checkFormula checks if the formula is valid, and panics otherwise. func checkFormula(formula Formula) { if formula.Derivative == 0 || formula.Stencil == nil || formula.Step <= 0 { panic("fd: bad formula") } } // computeWorkers returns the desired number of workers given the concurrency // level and number of evaluations. func computeWorkers(concurrent bool, evals int) int { if !concurrent { return 1 } nWorkers := runtime.GOMAXPROCS(0) if nWorkers > evals { nWorkers = evals } return nWorkers } // usesOrigin returns whether the stencil uses the origin, which is true iff // one of the locations in the stencil equals 0. func usesOrigin(stencil []Point) bool { for _, pt := range stencil { if pt.Loc == 0 { return true } } return false } // getOrigin returns the value at the origin. It returns originValue if originKnown // is true. It returns the value returned by f if stencil contains a point with // zero location, and NaN otherwise. func getOrigin(originKnown bool, originValue float64, f func() float64, stencil []Point) float64 { if originKnown { return originValue } for _, pt := range stencil { if pt.Loc == 0 { return f() } } return math.NaN() } const ( badDerivOrder = "fd: invalid derivative order" )