ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

update the kim_param command test

Browse Source
This commit is contained in:
Yaser Afshar
2020-07-19 18:35:20 -05:00
parent 3390e1d4c5
commit 1f819ca333
1 changed files with 16 additions and 0 deletions
Download Patch File Download Diff File Expand all files Collapse all files

16
unittest/commands/test_kim_commands.cpp
View File

@ -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)