Forgot to add the unit test files to the commit....

2022-09-22 19:55:10 -05:00
parent aff5200ded
commit ae4404201f
2 changed files with 229 additions and 0 deletions
--- a/unittest/fortran/wrap_extract_atom.cpp
+++ b/unittest/fortran/wrap_extract_atom.cpp
@ -0,0 +1,99 @@
+// unit tests for extracting Atom class data from a LAMMPS instance through the
+// Fortran wrapper
+
+#include "lammps.h"
+#include "library.h"
+#include "lmptype.h"
+#include <mpi.h>
+#include <string>
+#include <cstdlib>
+#include <cstdint>
+
+#include "gtest/gtest.h"
+
+// prototypes for Fortran reverse wrapper functions
+extern "C" {
+void *f_lammps_with_args();
+void f_lammps_close();
+void f_lammps_setup_extract_atom();
+double f_lammps_extract_atom_mass();
+int f_lammps_extract_atom_tag_int(int);
+int64_t f_lammps_extract_atom_tag_int64(int64_t);
+int f_lammps_extract_atom_type(int);
+int f_lammps_extract_atom_mask(int);
+void f_lammps_extract_atom_x(int,double*);
+}
+
+class LAMMPS_extract_atom : public ::testing::Test {
+protected:
+    LAMMPS_NS::LAMMPS *lmp;
+    LAMMPS_extract_atom()           = default;
+    ~LAMMPS_extract_atom() override = default;
+
+    void SetUp() override
+    {
+        ::testing::internal::CaptureStdout();
+        lmp                = (LAMMPS_NS::LAMMPS *)f_lammps_with_args();
+        std::string output = ::testing::internal::GetCapturedStdout();
+        EXPECT_STREQ(output.substr(0, 8).c_str(), "LAMMPS (");
+    }
+    void TearDown() override
+    {
+        ::testing::internal::CaptureStdout();
+        f_lammps_close();
+        std::string output = ::testing::internal::GetCapturedStdout();
+        EXPECT_STREQ(output.substr(0, 16).c_str(), "Total wall time:");
+        lmp = nullptr;
+    }
+};
+
+TEST_F(LAMMPS_extract_atom, mass)
+{
+   f_lammps_setup_extract_atom();
+   EXPECT_DOUBLE_EQ(f_lammps_extract_atom_mass(), 2.0);
+};
+
+TEST_F(LAMMPS_extract_atom, tag)
+{
+   f_lammps_setup_extract_atom();
+#ifdef LAMMPS_BIGBIG
+   EXPECT_EQ(f_lammps_extract_atom_tag_int64(1l), 1l);
+   EXPECT_EQ(f_lammps_extract_atom_tag_int64(2l), 2l);
+#else
+   EXPECT_EQ(f_lammps_extract_atom_tag_int(1), 1);
+   EXPECT_EQ(f_lammps_extract_atom_tag_int(2), 2);
+#endif
+};
+
+TEST_F(LAMMPS_extract_atom, type)
+{
+   f_lammps_setup_extract_atom();
+   EXPECT_EQ(f_lammps_extract_atom_type(1), 1);
+   EXPECT_EQ(f_lammps_extract_atom_type(2), 1);
+};
+
+TEST_F(LAMMPS_extract_atom, mask)
+{
+   f_lammps_setup_extract_atom();
+   EXPECT_EQ(f_lammps_extract_atom_mask(1), 1);
+   EXPECT_EQ(f_lammps_extract_atom_mask(2), 1);
+   lammps_command(lmp, "group 1 id 1");
+   lammps_command(lmp, "group 2 id 2");
+   EXPECT_EQ(f_lammps_extract_atom_mask(1), 3);
+   EXPECT_EQ(f_lammps_extract_atom_mask(2), 5);
+};
+
+TEST_F(LAMMPS_extract_atom, x)
+{
+   f_lammps_setup_extract_atom();
+   double x1[3];
+   double x2[3];
+   f_lammps_extract_atom_x(1, x1);
+   EXPECT_DOUBLE_EQ(x1[0], 1.0);
+   EXPECT_DOUBLE_EQ(x1[1], 1.0);
+   EXPECT_DOUBLE_EQ(x1[2], 1.5);
+   f_lammps_extract_atom_x(2, x2);
+   EXPECT_DOUBLE_EQ(x2[0], 0.2);
+   EXPECT_DOUBLE_EQ(x2[1], 0.1);
+   EXPECT_DOUBLE_EQ(x2[2], 0.1);
+}