reintegration of LatCore & folder restructuration

2025-06-22 00:42:02 +01:00 · 2019-02-10 00:23:36 +00:00
parent 6addec5e14
commit 83d5428c3a
111 changed files with 6974 additions and 315 deletions
--- a/lib/Numerical/NloptMinimizer.hpp
+++ b/lib/Numerical/NloptMinimizer.hpp
@ -0,0 +1,76 @@
+/*
+ * NloptMinimizer.hpp, part of LatAnalyze 3
+ *
+ * Copyright (C) 2013 - 2016 Antonin Portelli
+ *
+ * LatAnalyze 3 is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU General Public License as published by
+ * the Free Software Foundation, either version 3 of the License, or
+ * (at your option) any later version.
+ *
+ * LatAnalyze 3 is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License
+ * along with LatAnalyze 3.  If not, see <http://www.gnu.org/licenses/>.
+ */
+
+#ifndef Latan_NloptMinimizer_hpp_
+#define Latan_NloptMinimizer_hpp_
+
+#include <LatAnalyze/Global.hpp>
+#include <LatAnalyze/Numerical/Derivative.hpp>
+#include <LatAnalyze/Functional/Function.hpp>
+#include <LatAnalyze/Numerical/Minimizer.hpp>
+#include <nlopt.hpp>
+
+BEGIN_LATAN_NAMESPACE
+
+/******************************************************************************
+ *                      interface to NLOpt minimizers                         *
+ * ( http://ab-initio.mit.edu/wiki/index.php/NLopt )                          *
+ * -------------------------------------------------------------------------- *
+ * cf. http://ab-initio.mit.edu/wiki/index.php/NLopt_Algorithms for algorithm *
+ * references and naming conventions                                          *
+ ******************************************************************************/
+class NloptMinimizer: public Minimizer
+{
+public:
+    typedef nlopt::algorithm Algorithm;
+private:
+    struct NloptFuncData
+    {
+        const DoubleFunction *f{nullptr};
+        Derivative           *d{nullptr};
+        unsigned int         evalCount{0};
+    };
+public:
+    // constructor
+    explicit NloptMinimizer(const Algorithm algorithm = defaultAlg_);
+    // destructor
+    virtual ~NloptMinimizer(void) = default;
+    // access
+    Algorithm    getAlgorithm(void) const;
+    void         setAlgorithm(const Algorithm algorithm);
+    virtual bool supportLimits(void) const;
+    // minimization
+    virtual const DVec & operator()(const DoubleFunction &f);
+private:
+    // NLopt return code parser
+    static std::string returnMessage(const nlopt::result status);
+    // NLopt function wrapper
+    static double funcWrapper(unsigned int n, const double *arg,
+                              double *grad , void *vdata);
+    // NLopt return status parser
+    static bool minSuccess(const nlopt::result status);
+private:
+    Algorithm                  algorithm_;
+    static constexpr Algorithm defaultAlg_ = Algorithm::LN_NELDERMEAD;
+    CentralDerivative          der_;
+};
+
+END_LATAN_NAMESPACE
+
+#endif // Latan_NloptMinimizer_hpp_