start tests for lammps_extract_global() (bc31486f) · Commits · 郑智淋 / lammps

unittest/c-library/in.fourmol

+1 −1

Original line number	Diff line number	Diff line
		@@ -10,8 +10,8 @@ variable improper_style index zero
		atom_style full
		atom_modify map array
		neigh_modify delay 2 every 2 check no
		timestep 0.1
		units ${units}
		timestep 0.1

		pair_style ${pair_style}
		bond_style ${bond_style}

+27 −0

Original line number	Diff line number	Diff line
		@@ -2,6 +2,7 @@

		#include "lammps.h"
		#include "library.h"
		#include "lmptype.h"
		#include <string>

		#include "gmock/gmock.h"
		@@ -14,6 +15,7 @@

		using ::testing::HasSubstr;
		using ::testing::StartsWith;
		using ::testing::StrEq;

		class LibraryProperties : public ::testing::Test {
		protected:
		@@ -160,6 +162,7 @@ TEST_F(LibraryProperties, box)
		EXPECT_DOUBLE_EQ(lammps_get_thermo(lmp, "vol"), 3390.3580784497199);
		EXPECT_DOUBLE_EQ(lammps_get_thermo(lmp, "cellgamma"), 89.61785205109274);
		};

		TEST_F(LibraryProperties, setting)
		{
		#if defined(LAMMPS_SMALLSMALL)
		@@ -214,3 +217,27 @@ TEST_F(LibraryProperties, setting)
		EXPECT_EQ(lammps_extract_setting(lmp, "rmass_flag"), 1);
		}
		};

		TEST_F(LibraryProperties, global)
		{
		if (!lammps_has_style(lmp, "atom", "full")) GTEST_SKIP();

		std::string input = INPUT_DIR + PATH_SEP + "in.fourmol";
		if (!verbose) ::testing::internal::CaptureStdout();
		lammps_file(lmp, input.c_str());
		lammps_command(lmp, "run 2 post no");
		if (!verbose) ::testing::internal::GetCapturedStdout();

		LAMMPS_NS::bigint *b_ptr;
		char *c_ptr;
		double *d_ptr;
		int *i_ptr;

		EXPECT_EQ(lammps_extract_global(lmp, "UNKNOWN"), nullptr);
		c_ptr = (char *)lammps_extract_global(lmp, "units");
		EXPECT_THAT(c_ptr, StrEq("real"));
		b_ptr = (LAMMPS_NS::bigint *)lammps_extract_global(lmp, "ntimestep");
		EXPECT_EQ((*b_ptr), 2);
		d_ptr = (double *)lammps_extract_global(lmp, "dt");
		EXPECT_DOUBLE_EQ((*d_ptr), 0.1);
		};