functions in C++ classes, which can be put on a single line.
* Use spaces liberally.
* ``extern "C"`` and ``namespace`` blocks are not indented, but all others
- (including ``class`` and ``switch`` bodies) are.
+ (including ``class`` and ``switch`` bodies) are. Namespace blocks have
+ to have a closing comment with the name of it.
Additionally:
-readability-function-size,-readability-else-after-return,
modernize-use-nullptr,modernize-use-emplace,
modernize-make-unique,modernize-make-shared,
- google-readability-casting,
cppcoreguidelines-*,-cppcoreguidelines-pro-*,-cppcoreguidelines-owning-memory,
- -cppcoreguidelines-no-malloc,-cppcoreguidelines-special-member-functions
+ -cppcoreguidelines-no-malloc,-cppcoreguidelines-special-member-functions,
+ google-*,-google-build-using-namespace,-google-explicit-constructor,
+ -google-readability-function-size,-google-readability-todo,-google-runtime-int
CheckOptions:
- key: cppcoreguidelines-special-member-functions.AllowSoleDefaultDtor
return block_.size();
}
-} // namepace gmx
+} // namespace gmx
}
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
::testing::Values("pmf_target_format0.xvg",
"pmf_target_format1.xvg"));
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
EXPECT_TRUE(haveCorrectNumNeighbors);
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
private:
IFileOutputRedirector *outputRedirector_;
- const std::string &binaryName_;
+ const std::string &binaryName_; //NOLINT(google-runtime-member-string-references)
HelpLinks links_;
// These never release ownership.
std::unique_ptr<TextWriter> indexFile_;
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
///\endcond
-} // namespace gmx::compat
+} // namespace compat
} // namespace gmx
#endif // header guard
}
-}
+} // namespace
-}
+} // namespace gmx
#endif
-}
+} // namespace
-}
+} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2016,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
}
#endif
-}
+} // namespace
-}
+} // namespace gmx
|| edi.vecs.radacc.neig
|| edi.vecs.radcon.neig;
}
-}
+} // namespace
/* Multiple ED groups will be labeled with letters instead of numbers
return rad = sqrt(rad);
}
-}
+} // namespace
struct t_do_edfit {
double **omega;
snew(tvec->fproj, tvec->neig);
snew(tvec->refproj, tvec->neig);
}
-}
+} // namespace
/* Check if the same atom indices are used for reference and average positions */
::testing::Range(3, 8 + 1),
::testing::Values(ModuliType::PME, ModuliType::P3M)
));
-}
-}
-}
+} // namespace
+} // namespace test
+} // namespace gmx
::testing::Values(PmeForceOutputHandling::Set, PmeForceOutputHandling::ReduceWithInput),
::testing::ValuesIn(atomCounts)));
-}
-}
-}
+} // namespace
+} // namespace test
+} // namespace gmx
testing::Values(1.9), c_inputEwaldCoeff_q, c_inputEwaldCoeff_lj,
c_inputMethods));
-}
-}
-}
+} // namespace
+} // namespace test
+} // namespace gmx
::testing::Values(c_sampleCoordinates13),
::testing::Values(c_sampleCharges13)
));
-}
-}
-}
+} // namespace
+} // namespace test
+} // namespace gmx
//! Getting local PME real grid dimensions
static void pmeGetRealGridSizesInternal(const gmx_pme_t *pme,
CodePath mode,
- IVec &gridSize,
- IVec &paddedGridSize)
+ IVec &gridSize, //NOLINT(google-runtime-references)
+ IVec &paddedGridSize) //NOLINT(google-runtime-references)
{
const size_t gridIndex = 0;
IVec gridOffsetUnused;
//! Getting local PME complex grid dimensions
static void pmeGetComplexGridSizesInternal(const gmx_pme_t *pme,
- IVec &gridSize,
- IVec &paddedGridSize)
+ IVec &gridSize, //NOLINT(google-runtime-references)
+ IVec &paddedGridSize) //NOLINT(google-runtime-references)
{
const size_t gridIndex = 0;
IVec gridOffsetUnused, complexOrderUnused;
}
//! Getting the PME grid memory buffer and its sizes - template definition
-template<typename ValueType> static void pmeGetGridAndSizesInternal(const gmx_pme_t * /*unused*/, CodePath /*unused*/, ValueType * & /*unused*/, IVec & /*unused*/, IVec & /*unused*/)
+template<typename ValueType> static void pmeGetGridAndSizesInternal(const gmx_pme_t * /*unused*/, CodePath /*unused*/, ValueType * & /*unused*/, IVec & /*unused*/, IVec & /*unused*/) //NOLINT(google-runtime-references)
{
GMX_THROW(InternalError("Deleted function call"));
// explicitly deleting general template does not compile in clang/icc, see https://llvm.org/bugs/show_bug.cgi?id=17537
return std::make_tuple(energy, virial);
}
-}
-}
+} // namespace test
+} // namespace gmx
GridOrdering gridOrdering, bool computeEnergyAndVirial);
//! PME force gathering
void pmePerformGather(gmx_pme_t *pme, CodePath mode,
- PmeForceOutputHandling inputTreatment, ForcesVector &forces);
+ PmeForceOutputHandling inputTreatment, ForcesVector &forces); //NOLINT(google-runtime-references)
//! PME test finalization before fetching the outputs
void pmeFinalizeTest(const gmx_pme_t *pme, CodePath mode);
//! Getting the reciprocal energy and virial
PmeSolveOutput pmeGetReciprocalEnergyAndVirial(const gmx_pme_t *pme, CodePath mode,
PmeSolveAlgorithm method);
-}
-}
+} // namespace test
+} // namespace gmx
#endif
gmx_hardware_info_free();
}
-}
-}
+} // namespace test
+} // namespace gmx
* unit test so that they can use the hardware context. */
void callAddGlobalTestEnvironment();
-}
-}
+} // namespace test
+} // namespace gmx
#endif
ASSERT_TRUE(warning_errors_exist(wi_));
}
-} // namespace
-} // namespace
+} // namespace testing
+} // namespace gmx
} // namespace
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
EXPECT_DEATH_IF_SUPPORTED(runTest(inputMdpFile), "Invalid enum");
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
return compat::make_unique<ClfftInitializer>();
}
-}
+} // namespace gmx
*/
std::unique_ptr<ClfftInitializer> initializeClfftLibrary();
-}
+} // namespace gmx
#endif
return gpuInfo_->n_dev_compatible > 0;
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
bool haveValidGpus() const;
};
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif
TYPED_TEST_CASE(AllocatorTest, AllocatorTypesToTest);
} // namespace
-} // namespace
+} // namespace gmx
// Includes tests common to all allocation policies.
#include "gromacs/utility/tests/alignedallocator-impl.h"
}
}
/*! \endcond */
-} // namespace anonymous
+} // namespace
// static
return count;
}
-} // namespace anonymous
+} // namespace
// static
HardwareTopology HardwareTopology::detect()
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2015,2016,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
bool isThisSystem_; //!< Machine map is real (vs. cached/synthetic)
};
-}
+} // namespace gmx
#endif // GMX_HARDWARE_HARDWARETOPOLOGY_H
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*/
std::mutex initMutex;
-} // namespace anonymous
+} // namespace
int
identifyAvx512FmaUnits()
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
testIfunc(F_PDIHS, iatoms, &iparams, epbcXYZ);
}
-}
+} // namespace
-}
+} // namespace gmx
dest[ZZ][ZZ] = c*(src[XX][XX]*src[YY][YY]-src[YY][XX]*src[XX][YY]);
}
-} // namespace
+} // namespace gmx
// TODO These are hacks to avoid littering gmx:: all over code that is
// almost all destined to move into the gmx namespace at some point.
// An alternative would be about 20 files with using statements.
-using gmx::PaddedRVecVector;
+using gmx::PaddedRVecVector; //NOLINT(google-global-names-in-headers)
#endif
}
}
-} // namespace
+} // namespace gmx
t_commrec *cr,
const t_inputrec &inputrec);
-} // namespace
+} // namespace gmx
#endif
return bInterCG;
}
-} // namespace
+} // namespace gmx
/*! \brief Returns whether there are inter charge group settles */
bool inter_charge_group_settles(const gmx_mtop_t &mtop);
-} // namespace
+} // namespace gmx
#endif
return rmax;
}
-} // namespace
+} // namespace gmx
return bOK;
}
-} // namespace
+} // namespace gmx
t_nrnb *nrnb,
int maxwarn, int *warncount);
-} // namespace
+} // namespace gmx
#endif
(mtop, ir, std::forward<Args>(args) ..., numConstraints, numSettles);
}
-} // namespace
+} // namespace gmx
#endif
return mdAtoms;
}
-} // namespace
+} // namespace gmx
void atoms2md(const gmx_mtop_t *mtop, const t_inputrec *ir,
int nindex, const int *index,
makeMDAtoms(FILE *fp, const gmx_mtop_t &mtop, const t_inputrec &ir,
bool useGpuForPme);
-} // namespace
+} // namespace gmx
void atoms2md(const gmx_mtop_t *mtop, const t_inputrec *ir,
int nindex, const int *index,
}
}
-} // namespace
+} // namespace gmx
rvec *der, rvec *derp,
int CalcVirAtomEnd, tensor vir_r_m_dder);
-} // namespace
+} // namespace gmx
#endif
return bOK;
}
-} // namespace
+} // namespace gmx
const real dist2[], real xp[], const real rij[], const real m2[], real omega,
const real invmass[], const real tt[], real lagr[], int *nerror);
-} // namespace
+} // namespace gmx
#endif
setSignals();
}
-} // namespace
+} // namespace gmx
std::array<real, eglsNR> mpiBuffer_;
};
-} // namespace
+} // namespace gmx
#endif
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
GMX_RELEASE_ASSERT(numPointsBeforeMax >= 20 && numPointsAfterMax >= 20, "This test only provides full coverage when we test a sufficient number of points before and after the location of the maximum value for the exact formula.");
}
-} // namespace anonymous
+} // namespace
-} // namespace gmx
+} // namespace gmx
checker_.checkString(TextReader::readFileToString(logFilename_), "log");
}
-} // namespace
-} // namespace
-} // namespace
+} // namespace
+} // namespace test
+} // namespace gmx
::testing::Bool(),
::testing::Bool()));
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
}
} // namespace
-} // namespace
+} // namespace gmx
EXPECT_EQ(0, signals_[2].set);
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
gmx_ekindata_t *ekind, const ekinstate_t *ekinstate);
void berendsen_tcoupl(const t_inputrec *ir, const gmx_ekindata_t *ekind, real dt,
- std::vector<double> &therm_integral);
+ std::vector<double> &therm_integral); //NOLINT(google-runtime-references)
void andersen_tcoupl(t_inputrec *ir, int64_t step,
const t_commrec *cr, const t_mdatoms *md, t_state *state, real rate, const gmx_bool *randomize, const real *boltzfac);
}
}
-} // namespace
+} // namespace gmx
return reinitialize_commrec_for_this_thread(cr);
}
-} // namespace
+} // namespace gmx
/*! \brief Initialize variables for Verlet scheme simulation */
static void prepare_verlet_scheme(FILE *fplog,
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
matrix virial_; //!< Virial accumulation buffer
};
-}
+} // namespace gmx
#endif
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015, by the GROMACS development team, led by
+ * Copyright (c) 2015,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
};
//! The text to iterate over.
- const std::string &text_;
+ const std::string &text_; //NOLINT(google-runtime-member-string-references)
//! Start of the current paragraph.
size_t begin_;
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015, by the GROMACS development team, led by
+ * Copyright (c) 2015,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
GMX_DISALLOW_COPY_AND_ASSIGN(OptionsBehaviorCollection);
};
-} // namespace
+} // namespace gmx
#endif
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015, by the GROMACS development team, led by
+ * Copyright (c) 2015,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
virtual void optionsFinished() = 0;
};
-} // namespace
+} // namespace gmx
#endif
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2015,2016,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
GMX_DEFAULT_CONSTRUCTORS(IOptionsContainer);
};
-} // namespace
+} // namespace gmx
#endif
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016, by the GROMACS development team, led by
+ * Copyright (c) 2016,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
GMX_DEFAULT_CONSTRUCTORS(IOptionsContainerWithSections);
};
-} // namespace
+} // namespace gmx
#endif
{
//! Helper function to call visitOptions() and handle correct indirection.
-void visitOption(OptionsVisitor *visitor, OptionInfo &optionInfo)
+void visitOption(OptionsVisitor *visitor, OptionInfo &optionInfo) //NOLINT(google-runtime-references)
{
visitor->visitOption(optionInfo);
}
//! Helper function to call visitOptions() and handle correct indirection.
-void visitOption(OptionsModifyingVisitor *visitor, OptionInfo &optionInfo)
+void visitOption(OptionsModifyingVisitor *visitor, OptionInfo &optionInfo) //NOLINT(google-runtime-references)
{
visitor->visitOption(&optionInfo);
}
return &impl_->enforcedRotation_;
}
-} // namespace
+} // namespace gmx
/* Activate output of forces for correctness checks */
/* #define PRINT_FORCES */
PrivateImplPointer<Impl> impl_;
};
-} // namespace
+} // namespace gmx
/*! \brief Initializes the enforced rotation groups.
*
test(epbcXY, box);
}
-}
+} // namespace
-}
+} // namespace gmx
return result;
}
-}
+} // namespace gmx
void TabulatedNormalDistributionDummy(){}
#endif
-}
+} // namespace gmx
EXPECT_REAL_EQ_TOL(distA(rngA), distB(rngB, paramA), gmx::test::ulpTolerance(0));
}
-} // namespace anonymous
+} // namespace
-} // namespace gmx
+} // namespace gmx
EXPECT_REAL_EQ_TOL(distA(rngA), distB(rngB, paramA), gmx::test::ulpTolerance(0));
}
-} // namespace anonymous
+} // namespace
-} // namespace gmx
+} // namespace gmx
EXPECT_REAL_EQ_TOL(valA, valB, gmx::test::ulpTolerance(0));
}
-} // namespace anonymous
+} // namespace
-} // namespace gmx
+} // namespace gmx
EXPECT_NE(i0, i1);
}
-} // namespace anonymous
+} // namespace
-} // namespace gmx
+} // namespace gmx
EXPECT_REAL_EQ_TOL(1.0, variance, tolerance) << "Table should have unit variance";
}
-} // namespace anonymous
+} // namespace
-} // namespace gmx
+} // namespace gmx
EXPECT_THROW_GMX(rngA(), gmx::InternalError);
}
-} // namespace anonymous
+} // namespace
-} // namespace gmx
+} // namespace gmx
}
-} // namespace anonymous
+} // namespace
-} // namespace gmx
+} // namespace gmx
EXPECT_REAL_EQ_TOL(valA, valB, gmx::test::ulpTolerance(0));
}
-} // namespace anonymous
+} // namespace
-} // namespace gmx
+} // namespace gmx
}
}
};
-}
+} // namespace internal
/*! \brief General implementation class for ThreeFry counter-based random engines.
*
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2012,2013,2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2010,2012,2013,2014,2015,2016,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
bool needsMasses;
};
-}
+} // namespace gmx
#endif
struct SimdFInt32Tag {};
/*! \libinternal \brief Tag type to select to load SimdDInt32 with simdLoad(U) */
struct SimdDInt32Tag {};
-}
+} // namespace gmx
/*! \name SIMD predefined macros to describe high-level capabilities
*
/*! \endcond */
-}
+} // namespace gmx
/*! \} */
/*! \endcond */
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
std::pair<real, real> range_; //!< Range for math function tests.
};
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif // GMX_SIMD_TESTS_BASE_H
/*! \} */
/*! \endcond internal */
-} // namespace anonymous
-} // namespace test
-} // namespace gmx
+} // namespace
+} // namespace test
+} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2016,2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
/*! \} */
/*! \endcond internal */
-} // namespace anonymous
-} // namespace test
-} // namespace gmx
+} // namespace
+} // namespace test
+} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2016,2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
/*! \} */
/*! \endcond internal */
-} // namespace anonymous
-} // namespace test
-} // namespace gmx
+} // namespace
+} // namespace test
+} // namespace gmx
/*! \} */
/*! \endcond */
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif // GMX_SIMD
/*! \} */
/*! \endcond */
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif // GMX_SIMD
/*! \} */
/*! \endcond */
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif // GMX_SIMD
/*! \} */
/*! \endcond */
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif // GMX_SIMD
/*! \endcond */
} // namespace
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif // GMX_SIMD
/*! \} */
/*! \endcond */
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif // GMX_SIMD
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2017, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
/*! \endcond */
} // namespace
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif // GMX_SIMD
/*! \endcond */
} // namespace
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif // GMX_SIMD
/*! \} */
/*! \endcond */
-} // namespace
-} // namespace
-} // namespace
+} // namespace
+} // namespace test
+} // namespace gmx
/*! \endcond */
} // namespace
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif // GMX_SIMD
/*! \} */
/*! \endcond */
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif // GMX_SIMD
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2017, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
/*! \endcond */
} // namespace
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif // GMX_SIMD
}
-} // namespace anonymous
+} // namespace
}
}
-} // namespace anonymous
+} // namespace
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
struct
AnalyticalSplineTableInput
{
+ //NOLINTNEXTLINE(google-runtime-member-string-references)
const std::string &desc; //!< \libinternal Brief description of function
std::function<double(double)> function; //!< \libinternal Analytical form of function
std::function<double(double)> derivative; //!< \libinternal Analytical derivative
struct
NumericalSplineTableInput
{
+ //NOLINTNEXTLINE(google-runtime-member-string-references)
const std::string &desc; //!< \libinternal Brief description of function
ArrayRef<const double> function; //!< \libinternal Vector with function values
ArrayRef<const double> derivative; //!< \libinternal Vector with derivative values
return false;
}
-} // namespace
+} // namespace gmx
int numPmeRanksPerSimulation,
bool gpusWereDetected);
-}
+} // namespace gmx
#endif
return gpuTasksOnRanksOfThisNode;
}
-} // namespace
+} // namespace gmx
findAllGpuTasksOnThisNode(ArrayRef<const GpuTask> gpuTasksOnThisRank,
const PhysicalNodeCommunicator &physicalNodeComm);
-} // namespace
+} // namespace gmx
#endif
GMX_LOG(mdlog.warning).appendText(output);
}
-} // namespace
+} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
bool bPrintHostName);
-} // namespace
+} // namespace gmx
#endif
}
}
-} // namespace
+} // namespace gmx
const PhysicalNodeCommunicator &comm,
const MDLogger &mdlog);
-} // namespace
+} // namespace gmx
#endif
// would require communication.
}
-} // namespace
+} // namespace gmx
return mapping.task_ == TaskType;
}
-} // namespace
+} // namespace gmx
#endif
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
}
} // namespace
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
}
}
-} // namespace
+} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
const std::vector<int> &compatibleGpus,
const std::vector<int> &gpuIds);
-} // namespace
+} // namespace gmx
#endif
std::vector<int> index_ = { 0 }; /**< The list of block begin/end indices */
};
-} // nsamespace gmx
+} // namespace gmx
/* Deprecated, C-style version of RangePartitioning */
typedef struct t_block
return values_.find(key);
}
-} // namespace
+} // namespace gmx
double time_;
};
-} // namespace
+} // namespace gmx
#endif
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2011,2012,2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2011,2012,2013,2014,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
} // namespace analysismodules
-} // namespace gmxana
+} // namespace gmx
#endif
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
} // namespace
-} // namespace
+} // namespace test
-} // namespace
+} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2011,2012,2013,2014,2015,2017, by the GROMACS development team, led by
+ * Copyright (c) 2010,2011,2012,2013,2014,2015,2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
{
}
-}
+} // namespace gmx
/*! \internal \brief
* The main function for the selection testing tool.
}
}
-} // namespace
+} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
writer->writeLine(formatString("%c", commentChar));
}
-} // namespace
+} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* \throws std::bad_alloc if out of memory. */
void niceHeader(TextWriter *writer, const char *fn, char commentChar);
-} // namespace
+} // namespace gmx
#endif
#endif
}
-} // namespace
+} // namespace gmx
void barrier() const;
};
-} // namespace
+} // namespace gmx
#endif
}
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2017, by the GROMACS development team, led by
+ * Copyright (c) 2015,2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
TYPED_TEST_CASE(AllocatorTest, AllocatorTypesToTest);
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
// Includes tests common to all allocation policies.
#include "gromacs/utility/tests/alignedallocator-impl.h"
sizeof(std::vector<value_type, TypeParam>));
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
} // namespace
-} // namespace
+} // namespace gmx
}
} // namespace
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
}
} // namespace
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
}
} // namespace
-} // namespace
+} // namespace gmx
}
} // namespace
-} // namespace
+} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2012,2014,2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2012,2014,2015,2016,2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
}
} // namespace
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
));
} // namespace
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
EXPECT_TRUE((isIntegralConstant<std::integral_constant<long, 5>, long>::value));
}
}
-}
+} // namespace gmx
return rc;
}
-} // namespace
+} // namespace gmx
}
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
const EnergyFrame &test,
const EnergyTolerances &tolerances);
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif
return EnergyFrame(*enxframeGuard_.get(), indicesOfEnergyFields_);
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
GMX_DISALLOW_COPY_AND_ASSIGN(EnergyFrameReader);
};
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif
INSTANTIATE_TEST_CASE_P(Checking, InitialConstraintsTest, ::testing::ValuesIn(c_integratorsToTest));
-}
-}
-}
+} // namespace
+} // namespace test
+} // namespace gmx
}
//! \endcond
-}
+} // namespace
SimulationRunner::SimulationRunner(TestFileManager *fileManager) :
mdpOutputFileName_(fileManager->getTemporaryFilePath("output.mdp")),
runMaxhTest();
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
helper.runSecondMdrun();
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
TestFileManager fileManager_;
};
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif
runTest(runModes);
}
-}
-}
-}
+} // namespace
+} // namespace test
+} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2013,2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2018, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
runMaxhTest();
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
checkMdrun();
}
-} // namespace
+} // namespace test
-} // namespace
+} // namespace gmx
helper.runSecondMdrunWithNoAppend();
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
ASSERT_EQ(0, runner_->callMdrun(secondPart));
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
SimulationRunner *runner_;
};
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif
INSTANTIATE_TEST_CASE_P(Simple, TpiTest, ::testing::Values(1993, 2994));
-}
-}
-}
+} // namespace
+} // namespace test
+} // namespace gmx
compareForces(reference, test, matchSettings, tolerances.forces);
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
const TrajectoryFrameMatchSettings &matchSettings,
const TrajectoryTolerances &tolerances);
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif
return TrajectoryFrame(*trxframeGuard_.get());
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
//! Convenience smart pointer typedef
typedef std::unique_ptr<TrajectoryFrameReader> TrajectoryFrameReaderPtr;
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif
"exceptions"));
}
//! \endcond
-}
+} // namespace
namespace internal
{
*/
void processExpectedException(const std::exception &ex);
//! \endcond
-}
+} // namespace internal
//! \libinternal \addtogroup module_testutils
//! \{
return testing::MakeMatcher(new RVecMatcher<real>(tolerance));
}
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
testing::Matcher < std::tuple < RVec, RVec>>
RVecEq(const FloatingPointTolerance &tolerance);
-} // namespace
-} // namespace
+} // namespace test
+} // namespace gmx
#endif
biod.pnpi.spb.ru / alexxy / gromacs.git / commitdiff