update the kim_param command test (1f819ca3) · Commits · 郑智淋 / lammps

unittest/commands/test_kim_commands.cpp

+16 −0

Original line number	Diff line number	Diff line
		@@ -18,6 +18,7 @@
		#include "modify.h"
		#include "utils.h"
		#include "lmppython.h"
		#include "variable.h"
		#include "gmock/gmock.h"
		#include "gtest/gtest.h"

		@@ -240,6 +241,13 @@ TEST_F(KimCommandsTest, kim_param)
		"'pair_style kim' before 'kim_param set'.*",
		lmp->input->one("kim_param set shift 1 2"););

		::testing::internal::CaptureStdout();
		lmp->input->one("kim_param get shift 1 shift");
		::testing::internal::GetCapturedStdout();

		ASSERT_FALSE(lmp->input->variable->find("shift") == -1);
		ASSERT_TRUE(std::string(lmp->input->variable->retrieve("shift")) == std::string("1"));

		::testing::internal::CaptureStdout();
		lmp->input->one("clear");
		lmp->input->one("kim_init LennardJones612_UniversalShifted__MO_959249795837_003 real");
		@@ -265,6 +273,14 @@ TEST_F(KimCommandsTest, kim_param)
		TEST_FAILURE(".*ERROR: Wrong argument for pair coefficients.\nThis "
		"Model does not have the requested '0.4989030' parameter.*",
		lmp->input->one("kim_param set sigmas 1:1 0.5523570 0.4989030"););

		::testing::internal::CaptureStdout();
		lmp->input->one("variable new_shift equal 2");
		lmp->input->one("kim_param set shift 1 ${new_shift}");
		lmp->input->one("kim_param get shift 1 shift");
		::testing::internal::GetCapturedStdout();

		ASSERT_TRUE(std::string(lmp->input->variable->retrieve("shift")) == std::string("2"));
		}

		TEST_F(KimCommandsTest, kim_property)