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ec5a172886
* Exploration * Initial work on GA fro Rgroup Symmetry * GA for rgroup decomp and fingerprint rgroup symmetry scoring * Continuing development * Exploration * Initial work on GA fro Rgroup Symmetry * GA for rgroup decomp and fingerprint rgroup symmetry scoring * Continuing development * Further development * Continued tweaks * Function rename * Continued tweaks * Bug fix for variance calculation * Copyright notices. Remove Eigen dependency. RdKit logging. Clock fix. * Changes to fix build failures * Fixes for Windows dynamic DLL build * Included GA export.h file * Fixed RGroupDecomp CMakeLists.txt * Notebooks working, GGroup labelling bug fixed * Fix windows build. More options for example GA program * More bugs found and tests adjusted * Fixed Python rgroup test * Trivial change to trigger CI * OSX java and windows build fixes * Windows DLL fix * Fix segmentation error * proposed change * Possible fix for segmentation fault * CR fixes * CR fixes * CR fixes * Recreates molecules from rgroups where possible Co-authored-by: greg landrum <greg.landrum@gmail.com> Co-authored-by: Brian Kelley <fustigator@gmail.com>
60 lines
1.2 KiB
C++
60 lines
1.2 KiB
C++
//
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// Copyright (C) 2020 Gareth Jones, Glysade LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#ifndef UTILS_H_
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#define UTILS_H_
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#include <cstdint>
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#include <random>
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#include "export.h"
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namespace GarethUtil {
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/*
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* Singleton class to hold a random number generator
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*
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*/
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class GA_EXPORT RandomUtil {
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public:
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RandomUtil(const RandomUtil &rhs) = delete;
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RandomUtil &operator=(const RandomUtil &rhs) = delete;
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RandomUtil(RandomUtil &&rhs) = delete;
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RandomUtil &operator=(RandomUtil &&rhs) = delete;
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/*
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* return a random number between 0 and 1
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*/
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double normalRand();
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/*
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* return a random integer between top and bottom
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*/
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int randomInt(int bottom, int top);
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bool randomBoolean();
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void seed(uint32_t seed);
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/**
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* Get singleton
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*/
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static RandomUtil &getInstance();
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private:
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RandomUtil();
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virtual ~RandomUtil();
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std::mt19937 rng;
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std::uniform_real_distribution<double> realDistribution;
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};
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} // namespace GarethUtil
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#endif /* UTILS_H_ */
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