Test: UT of line search in relax_new (#1822)

* Test: UT of line search in relax_new

* change name

* update CMakeLists.txt

Author: hongriTianqi

source/module_relax/CMakeLists.txt

@@ -22,4 +22,8 @@ add_library(
 
 if(ENABLE_COVERAGE)
   add_coverage(relax)
-endif()
+endif()
+
+if(BUILD_TESTING)
+  add_subdirectory(relax_new/test)
+endif()

source/module_relax/relax_new/test/CMakeLists.txt

@@ -0,0 +1,9 @@
+remove_definitions(-D__MPI)
+remove_definitions(-D__LCAO)
+remove_definitions(-D__DEEPKS)
+remove_definitions(-D__CUDA)
+remove_definitions(-D__ROCM)
+AddTest(
+  TARGET relax_new_line_search
+  SOURCES line_search_test.cpp ../line_search.cpp ../../../module_base/tool_quit.cpp ../../../module_base/global_variable.cpp ../../../module_base/global_file.cpp ../../../module_base/memory.cpp ../../../module_base/timer.cpp
+)

source/module_relax/relax_new/test/line_search_test.cpp

@@ -0,0 +1,69 @@
+#include "gtest/gtest.h"
+
+/************************************************
+ *  unit test of class Line_Search
+ ***********************************************/
+
+/**
+ * - Tested Functions:
+ *   - Line_Search::line_search()
+ *   - Line_Search::first_order()
+ *   - Line_Search::third_order()
+ *   - Line_Search::init_brent()
+ *   - Line_Search::update_brent()
+ *   - Line_Search::brent()
+ */
+
+
+#define private public
+#include "module_relax/relax_new/line_search.h"
+
+class LineSearchPrepare
+{
+public:
+	LineSearchPrepare(
+			bool restart_in,
+			double x_in,
+			double y_in,
+			double f_in,
+			double xnew_in,
+			double conv_thr_in):
+		restart(restart_in),
+		x(x_in),
+		y(y_in),
+		f(f_in),
+		xnew(xnew_in),
+		conv_thr(conv_thr_in)
+	{}
+	bool restart;
+	double x;
+	double y;
+	double f;
+	double xnew;
+	double conv_thr;
+};
+
+
+class LineSearchTest : public ::testing::TestWithParam<LineSearchPrepare>{};
+
+TEST_P(LineSearchTest,LineSearch)
+{
+	LineSearchPrepare lsp = GetParam();
+	Line_Search ls;
+	EXPECT_EQ(ls.ls_step,0);
+	bool test_conv = ls.line_search(lsp.restart,lsp.x,lsp.y,lsp.f,lsp.xnew,lsp.conv_thr);
+	EXPECT_EQ(ls.ls_step,1);
+	while (!test_conv)
+	{
+		test_conv = ls.line_search(false,lsp.x,lsp.y,lsp.f,lsp.xnew,lsp.conv_thr);
+	}
+	EXPECT_GE(ls.ls_step,3);
+	EXPECT_TRUE(test_conv);
+}
+
+INSTANTIATE_TEST_SUITE_P(LineSearch,LineSearchTest,::testing::Values(
+			// restart, x, y, f, xnew, conv_thr
+			LineSearchPrepare(true,5.0,100.1,-10.0,0.0,1e-6)
+			));
+
+#undef private