diff --git a/src/lmptype.h b/src/lmptype.h index ecd6ee5761..6e0b54d988 100644 --- a/src/lmptype.h +++ b/src/lmptype.h @@ -95,7 +95,7 @@ typedef int64_t bigint; #define MAXSMALLINT INT_MAX #define MAXTAGINT INT_MAX #define MAXBIGINT INT64_MAX -#define MAXDOUBLEINT 9007199254740992 // 2^53 +#define MAXDOUBLEINT 9007199254740992 // 2^53 #define MPI_LMP_TAGINT MPI_INT #define MPI_LMP_IMAGEINT MPI_INT @@ -133,7 +133,7 @@ typedef int64_t bigint; #define MAXSMALLINT INT_MAX #define MAXTAGINT INT64_MAX #define MAXBIGINT INT64_MAX -#define MAXDOUBLEINT 9007199254740992 // 2^53 +#define MAXDOUBLEINT 9007199254740992 // 2^53 #define MPI_LMP_TAGINT MPI_LL #define MPI_LMP_IMAGEINT MPI_LL @@ -232,6 +232,84 @@ union ubuf { ubuf(const int64_t &arg) : i(arg) {} ubuf(const int &arg) : i(arg) {} }; + +/** Data structure for dynamic typing of int, bigint, and double + * + * Using this union allows to store any of the supported data types + * in the same container and allows to "see" its current type. +\verbatim embed:rst + +**Usage:** + +.. code-block:: c++ + :caption: To store data in multitype array: + + multitype m[5]; + int foo = 1; + double bar = 2.5; + bigint baz = 1<<40 - 1; + m[0] = foo; + m[1] = bar; + m[2] = -1; + m[3] = 2.0; + m[4] = baz; + +.. code-block:: c++ + :caption: To format data from multitype array into a space separated string: + + std::string str; + for (int i = 0; i < 5; ++i) { + switch (m[i].type) { + case multitype::DOUBLE: + str += std::to_string(m[i].data.d) + ' '; + break; + case multitype::INT: + str += std::to_string(m[i].data.i) + ' '; + break; + case multitype::BIGINT: + str += std::to_string(m[i].data.b) + ' '; + break; + default: + break; + } + } +\endverbatim + */ +struct multitype { + enum { NONE, DOUBLE, INT, BIGINT }; + + int type; + union { + double d; + int i; + int64_t b; + } data; + + multitype() : type(NONE) { data.d = 0.0; } + multitype(const multitype &) = default; + multitype(multitype &&) = default; + ~multitype() = default; + + multitype &operator=(const double &_d) + { + type = DOUBLE; + data.d = _d; + return *this; + } + multitype &operator=(const int &_i) + { + type = INT; + data.i = _i; + return *this; + } + multitype &operator=(const int64_t &_b) + { + type = BIGINT; + data.b = _b; + return *this; + } +}; + } // namespace LAMMPS_NS // preprocessor macros for compiler specific settings diff --git a/unittest/utils/CMakeLists.txt b/unittest/utils/CMakeLists.txt index a6d5545873..8c1a5a3f6a 100644 --- a/unittest/utils/CMakeLists.txt +++ b/unittest/utils/CMakeLists.txt @@ -7,6 +7,10 @@ add_executable(test_mempool test_mempool.cpp) target_link_libraries(test_mempool PRIVATE lammps GTest::GMockMain) add_test(NAME MemPool COMMAND test_mempool) +add_executable(test_lmptype test_lmptype.cpp) +target_link_libraries(test_lmptype PRIVATE lammps GTest::GMockMain) +add_test(NAME LmpType COMMAND test_lmptype) + add_executable(test_argutils test_argutils.cpp) target_link_libraries(test_argutils PRIVATE lammps GTest::GMockMain) add_test(NAME ArgUtils COMMAND test_argutils) diff --git a/unittest/utils/test_lmptype.cpp b/unittest/utils/test_lmptype.cpp new file mode 100644 index 0000000000..6db340fddf --- /dev/null +++ b/unittest/utils/test_lmptype.cpp @@ -0,0 +1,84 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + LAMMPS Development team: developers@lammps.org + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#include "lmptype.h" + +#include "gmock/gmock.h" +#include "gtest/gtest.h" + +#include + +using namespace LAMMPS_NS; + +TEST(Types, ubuf) +{ + double buf[3]; + double d1 = 0.1; + int i1 = -10; +#if defined(LAMMPS_SMALLSMALL) + bigint b1 = 2048; +#else + bigint b1 = (1L << 58) + (1L << 50); +#endif + buf[0] = d1; + buf[1] = ubuf(i1).d; + buf[2] = ubuf(b1).d; + + EXPECT_EQ(d1, buf[0]); + EXPECT_EQ(i1, (int)ubuf(buf[1]).i); + EXPECT_EQ(b1, (bigint)ubuf(buf[2]).i); +} + +TEST(Types, multitype) +{ + multitype m[6]; + int64_t b1 = (3L << 48) - 1; + int i1 = 20; + double d1 = 0.1; + + m[0] = b1; + m[1] = i1; + m[2] = d1; + +#if !defined(LAMMPS_SMALLSMALL) + m[3] = -((1L << 40) + (1L << 50)); +#endif + m[4] = -1023; + m[5] = -2.225; + +#if defined(LAMMPS_SMALLSMALL) + EXPECT_EQ(m[0].type, multitype::INT); +#else + EXPECT_EQ(m[0].type, multitype::BIGINT); +#endif + EXPECT_EQ(m[1].type, multitype::INT); + EXPECT_EQ(m[2].type, multitype::DOUBLE); + +#if defined(LAMMPS_SMALLSMALL) + EXPECT_EQ(m[3].type, multitype::NONE); +#else + EXPECT_EQ(m[3].type, multitype::BIGINT); +#endif + EXPECT_EQ(m[4].type, multitype::INT); + EXPECT_EQ(m[5].type, multitype::DOUBLE); + + EXPECT_EQ(m[0].data.b, b1); + EXPECT_EQ(m[1].data.i, i1); + EXPECT_EQ(m[2].data.d, d1); + +#if !defined(LAMMPS_SMALLSMALL) + EXPECT_EQ(m[3].data.b, -((1L << 40) + (1L << 50))); +#endif + EXPECT_EQ(m[4].data.i, -1023); + EXPECT_EQ(m[5].data.d, -2.225); +}