426 lines
27 KiB
C++
426 lines
27 KiB
C++
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/* -------------------------------------------------------------------------- *
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* Lepton *
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* -------------------------------------------------------------------------- *
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* This is part of the Lepton expression parser originating from *
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* Simbios, the NIH National Center for Physics-Based Simulation of *
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* Biological Structures at Stanford, funded under the NIH Roadmap for *
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* Medical Research, grant U54 GM072970. See https://simtk.org. *
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* *
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* Portions copyright (c) 2009-2021 Stanford University and the Authors. *
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* Authors: Peter Eastman *
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* Contributors: *
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* *
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* Permission is hereby granted, free of charge, to any person obtaining a *
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* copy of this software and associated documentation files (the "Software"), *
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* to deal in the Software without restriction, including without limitation *
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* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
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* and/or sell copies of the Software, and to permit persons to whom the *
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* Software is furnished to do so, subject to the following conditions: *
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* *
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* The above copyright notice and this permission notice shall be included in *
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* all copies or substantial portions of the Software. *
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* *
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* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
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* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
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* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
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* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
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* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
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* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
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* USE OR OTHER DEALINGS IN THE SOFTWARE. *
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* -------------------------------------------------------------------------- */
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#include "lepton/Operation.h"
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#include "lepton/ExpressionTreeNode.h"
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#include "MSVC_erfc.h"
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using namespace Lepton;
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using namespace std;
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static bool isZero(const ExpressionTreeNode& node) {
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if (node.getOperation().getId() != Operation::CONSTANT)
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return false;
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return dynamic_cast<const Operation::Constant&>(node.getOperation()).getValue() == 0.0;
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}
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double Operation::Erf::evaluate(double* args, const map<string, double>&) const {
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return erf(args[0]);
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}
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double Operation::Erfc::evaluate(double* args, const map<string, double>& ) const {
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return erfc(args[0]);
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}
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ExpressionTreeNode Operation::Constant::differentiate(const std::vector<ExpressionTreeNode>& , const std::vector<ExpressionTreeNode>& , const std::string& ) const {
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return ExpressionTreeNode(new Operation::Constant(0.0));
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}
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ExpressionTreeNode Operation::Variable::differentiate(const std::vector<ExpressionTreeNode>& , const std::vector<ExpressionTreeNode>& , const std::string& variable) const {
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if (variable == name)
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return ExpressionTreeNode(new Operation::Constant(1.0));
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return ExpressionTreeNode(new Operation::Constant(0.0));
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}
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ExpressionTreeNode Operation::Custom::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (function->getNumArguments() == 0)
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return ExpressionTreeNode(new Operation::Constant(0.0));
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ExpressionTreeNode result;
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bool foundTerm = false;
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for (int i = 0; i < getNumArguments(); i++) {
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if (!isZero(childDerivs[i])) {
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if (foundTerm)
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result = ExpressionTreeNode(new Operation::Add(),
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result,
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ExpressionTreeNode(new Operation::Multiply(), ExpressionTreeNode(new Operation::Custom(*this, i), children), childDerivs[i]));
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else {
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result = ExpressionTreeNode(new Operation::Multiply(), ExpressionTreeNode(new Operation::Custom(*this, i), children), childDerivs[i]);
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foundTerm = true;
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}
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}
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}
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if (foundTerm)
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return result;
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return ExpressionTreeNode(new Operation::Constant(0.0));
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}
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ExpressionTreeNode Operation::Add::differentiate(const std::vector<ExpressionTreeNode>& , const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return childDerivs[1];
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if (isZero(childDerivs[1]))
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return childDerivs[0];
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return ExpressionTreeNode(new Operation::Add(), childDerivs[0], childDerivs[1]);
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}
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ExpressionTreeNode Operation::Subtract::differentiate(const std::vector<ExpressionTreeNode>& , const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0])) {
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if (isZero(childDerivs[1]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Negate(), childDerivs[1]);
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}
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if (isZero(childDerivs[1]))
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return childDerivs[0];
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return ExpressionTreeNode(new Operation::Subtract(), childDerivs[0], childDerivs[1]);
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}
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ExpressionTreeNode Operation::Multiply::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0])) {
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if (isZero(childDerivs[1]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(), children[0], childDerivs[1]);
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}
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if (isZero(childDerivs[1]))
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return ExpressionTreeNode(new Operation::Multiply(), children[1], childDerivs[0]);
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return ExpressionTreeNode(new Operation::Add(),
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ExpressionTreeNode(new Operation::Multiply(), children[0], childDerivs[1]),
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ExpressionTreeNode(new Operation::Multiply(), children[1], childDerivs[0]));
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}
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ExpressionTreeNode Operation::Divide::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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ExpressionTreeNode subexp;
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if (isZero(childDerivs[0])) {
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if (isZero(childDerivs[1]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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subexp = ExpressionTreeNode(new Operation::Negate(), ExpressionTreeNode(new Operation::Multiply(), children[0], childDerivs[1]));
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}
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else if (isZero(childDerivs[1]))
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subexp = ExpressionTreeNode(new Operation::Multiply(), children[1], childDerivs[0]);
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else
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subexp = ExpressionTreeNode(new Operation::Subtract(),
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ExpressionTreeNode(new Operation::Multiply(), children[1], childDerivs[0]),
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ExpressionTreeNode(new Operation::Multiply(), children[0], childDerivs[1]));
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return ExpressionTreeNode(new Operation::Divide(), subexp, ExpressionTreeNode(new Operation::Square(), children[1]));
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}
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ExpressionTreeNode Operation::Power::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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return ExpressionTreeNode(new Operation::Add(),
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ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Multiply(),
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children[1],
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ExpressionTreeNode(new Operation::Power(),
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children[0], ExpressionTreeNode(new Operation::AddConstant(-1.0), children[1]))),
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childDerivs[0]),
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ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Log(), children[0]),
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ExpressionTreeNode(new Operation::Power(), children[0], children[1])),
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childDerivs[1]));
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}
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ExpressionTreeNode Operation::Negate::differentiate(const std::vector<ExpressionTreeNode>& , const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Negate(), childDerivs[0]);
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}
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ExpressionTreeNode Operation::Sqrt::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::MultiplyConstant(0.5),
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ExpressionTreeNode(new Operation::Reciprocal(),
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ExpressionTreeNode(new Operation::Sqrt(), children[0]))),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Exp::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Exp(), children[0]),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Log::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Reciprocal(), children[0]),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Sin::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Cos(), children[0]),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Cos::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Negate(),
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ExpressionTreeNode(new Operation::Sin(), children[0])),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Sec::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Sec(), children[0]),
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ExpressionTreeNode(new Operation::Tan(), children[0])),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Csc::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Negate(),
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ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Csc(), children[0]),
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ExpressionTreeNode(new Operation::Cot(), children[0]))),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Tan::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Square(),
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ExpressionTreeNode(new Operation::Sec(), children[0])),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Cot::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Negate(),
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ExpressionTreeNode(new Operation::Square(),
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ExpressionTreeNode(new Operation::Csc(), children[0]))),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Asin::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Reciprocal(),
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ExpressionTreeNode(new Operation::Sqrt(),
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ExpressionTreeNode(new Operation::Subtract(),
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ExpressionTreeNode(new Operation::Constant(1.0)),
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ExpressionTreeNode(new Operation::Square(), children[0])))),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Acos::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Negate(),
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ExpressionTreeNode(new Operation::Reciprocal(),
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ExpressionTreeNode(new Operation::Sqrt(),
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ExpressionTreeNode(new Operation::Subtract(),
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ExpressionTreeNode(new Operation::Constant(1.0)),
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ExpressionTreeNode(new Operation::Square(), children[0]))))),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Atan::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Reciprocal(),
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ExpressionTreeNode(new Operation::AddConstant(1.0),
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ExpressionTreeNode(new Operation::Square(), children[0]))),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Atan2::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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return ExpressionTreeNode(new Operation::Divide(),
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ExpressionTreeNode(new Operation::Subtract(),
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ExpressionTreeNode(new Operation::Multiply(), children[1], childDerivs[0]),
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ExpressionTreeNode(new Operation::Multiply(), children[0], childDerivs[1])),
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ExpressionTreeNode(new Operation::Add(),
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ExpressionTreeNode(new Operation::Square(), children[0]),
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ExpressionTreeNode(new Operation::Square(), children[1])));
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}
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ExpressionTreeNode Operation::Sinh::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Cosh(),
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children[0]),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Cosh::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Sinh(),
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children[0]),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Tanh::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Subtract(),
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ExpressionTreeNode(new Operation::Constant(1.0)),
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ExpressionTreeNode(new Operation::Square(),
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ExpressionTreeNode(new Operation::Tanh(), children[0]))),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Erf::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Constant(2.0/sqrt(M_PI))),
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ExpressionTreeNode(new Operation::Exp(),
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ExpressionTreeNode(new Operation::Negate(),
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ExpressionTreeNode(new Operation::Square(), children[0])))),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Erfc::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Constant(-2.0/sqrt(M_PI))),
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ExpressionTreeNode(new Operation::Exp(),
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ExpressionTreeNode(new Operation::Negate(),
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ExpressionTreeNode(new Operation::Square(), children[0])))),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Step::differentiate(const std::vector<ExpressionTreeNode>& , const std::vector<ExpressionTreeNode>& , const std::string& ) const {
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return ExpressionTreeNode(new Operation::Constant(0.0));
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}
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ExpressionTreeNode Operation::Delta::differentiate(const std::vector<ExpressionTreeNode>& , const std::vector<ExpressionTreeNode>& , const std::string& ) const {
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return ExpressionTreeNode(new Operation::Constant(0.0));
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}
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ExpressionTreeNode Operation::Square::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::MultiplyConstant(2.0),
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children[0]),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Cube::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::MultiplyConstant(3.0),
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ExpressionTreeNode(new Operation::Square(), children[0])),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Reciprocal::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::Negate(),
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ExpressionTreeNode(new Operation::Reciprocal(),
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ExpressionTreeNode(new Operation::Square(), children[0]))),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::AddConstant::differentiate(const std::vector<ExpressionTreeNode>& , const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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return childDerivs[0];
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}
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ExpressionTreeNode Operation::MultiplyConstant::differentiate(const std::vector<ExpressionTreeNode>& , const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::MultiplyConstant(value),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::PowerConstant::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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return ExpressionTreeNode(new Operation::Multiply(),
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ExpressionTreeNode(new Operation::MultiplyConstant(value),
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ExpressionTreeNode(new Operation::PowerConstant(value-1),
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children[0])),
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childDerivs[0]);
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}
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ExpressionTreeNode Operation::Min::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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ExpressionTreeNode step(new Operation::Step(),
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ExpressionTreeNode(new Operation::Subtract(), children[0], children[1]));
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return ExpressionTreeNode(new Operation::Select(), {step, childDerivs[1], childDerivs[0]});
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}
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ExpressionTreeNode Operation::Max::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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ExpressionTreeNode step(new Operation::Step(),
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ExpressionTreeNode(new Operation::Subtract(), children[0], children[1]));
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return ExpressionTreeNode(new Operation::Select(), {step, childDerivs[0], childDerivs[1]});
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}
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ExpressionTreeNode Operation::Abs::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
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if (isZero(childDerivs[0]))
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return ExpressionTreeNode(new Operation::Constant(0.0));
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ExpressionTreeNode step(new Operation::Step(), children[0]);
|
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return ExpressionTreeNode(new Operation::Multiply(),
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|
childDerivs[0],
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|
ExpressionTreeNode(new Operation::AddConstant(-1),
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|
ExpressionTreeNode(new Operation::MultiplyConstant(2), step)));
|
|
}
|
|
|
|
ExpressionTreeNode Operation::Floor::differentiate(const std::vector<ExpressionTreeNode>& , const std::vector<ExpressionTreeNode>& , const std::string& ) const {
|
|
return ExpressionTreeNode(new Operation::Constant(0.0));
|
|
}
|
|
|
|
ExpressionTreeNode Operation::Ceil::differentiate(const std::vector<ExpressionTreeNode>& , const std::vector<ExpressionTreeNode>& , const std::string& ) const {
|
|
return ExpressionTreeNode(new Operation::Constant(0.0));
|
|
}
|
|
|
|
ExpressionTreeNode Operation::Select::differentiate(const std::vector<ExpressionTreeNode>& children, const std::vector<ExpressionTreeNode>& childDerivs, const std::string& ) const {
|
|
return ExpressionTreeNode(new Operation::Select(), {children[0], childDerivs[1], childDerivs[2]});
|
|
}
|