import test infrastructure for c, c++ and python library usage

unittest/cplusplus/input-class.cpp

@@ -0,0 +1,114 @@
+// unit tests for issuing command to a LAMMPS instance through the Input class
+
+#include "lammps.h"
+#include "input.h"
+#include "atom.h"
+#include "memory.h"
+#include <mpi.h>
+#include <string>
+#include <cstring>
+
+#include "gtest/gtest.h"
+
+const char *demo_input[] = {
+      "region       box block 0 $x 0 2 0 2",
+      "create_box 1 box",
+      "create_atoms 1 single 1.0 1.0 ${zpos}" };
+const char *cont_input[] = {
+    "create_atoms 1 single &",
+    "0.2 0.1 0.1" };
+
+namespace LAMMPS_NS
+{
+
+    class Input_commands : public ::testing::Test
+    {
+    protected:
+        LAMMPS *lmp;
+        Input_commands() {
+            const char *args[] = {"LAMMPS_test"};
+            char **argv = (char **)args;
+            int argc = sizeof(args)/sizeof(char *);
+
+            int flag;
+            MPI_Initialized(&flag);
+            if (!flag) MPI_Init(&argc,&argv);
+        }
+        ~Input_commands() override {}
+
+        void SetUp() override {
+            const char *args[] = {"LAMMPS_test",
+                                  "-log", "none",
+                                  "-echo", "screen",
+                                  "-nocite",
+                                  "-var", "zpos", "1.5",
+                                  "-var","x","2"};
+            char **argv = (char **)args;
+            int argc = sizeof(args)/sizeof(char *);
+
+            ::testing::internal::CaptureStdout();
+            lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
+            std::string output = ::testing::internal::GetCapturedStdout();
+            EXPECT_STREQ(output.substr(0,8).c_str(), "LAMMPS (");
+        }
+        void TearDown() override {
+            ::testing::internal::CaptureStdout();
+            delete lmp;
+            std::string output = ::testing::internal::GetCapturedStdout();
+            EXPECT_STREQ(output.substr(0,16).c_str(), "Total wall time:");
+            lmp = nullptr;
+        }
+    };
+
+    TEST_F(Input_commands, from_file) {
+        FILE *fp;
+        const char demo_file[] = "in.test";
+        const char cont_file[] = "in.cont";
+
+        fp = fopen(demo_file,"w");
+        for (unsigned int i=0; i < sizeof(demo_input)/sizeof(char *); ++i) {
+            fputs(demo_input[i],fp);
+            fputc('\n',fp);
+        }
+        fclose(fp);
+        fp = fopen(cont_file,"w");
+        for (unsigned int i=0; i < sizeof(cont_input)/sizeof(char *); ++i) {
+            fputs(cont_input[i],fp);
+            fputc('\n',fp);
+        }
+        fclose(fp);
+
+        EXPECT_EQ(lmp->atom->natoms,0);
+        lmp->input->file(demo_file);
+        lmp->input->file(cont_file);
+        EXPECT_EQ(lmp->atom->natoms,2);
+
+        unlink(demo_file);
+        unlink(cont_file);
+    };
+
+    TEST_F(Input_commands, from_line) {
+        EXPECT_EQ(lmp->atom->natoms,0);
+        for (unsigned int i=0; i < sizeof(demo_input)/sizeof(char *); ++i) {
+            lmp->input->one(demo_input[i]);
+        }
+        EXPECT_EQ(lmp->atom->natoms,1);
+    };
+
+    TEST_F(Input_commands, substitute) {
+        char *string,*scratch;
+        int nstring=100,nscratch=100;
+
+        lmp->memory->create(string,nstring,"test:string");
+        lmp->memory->create(scratch,nscratch,"test:scratch");
+        strcpy(string,demo_input[0]);
+        lmp->input->substitute(string,scratch,nstring,nscratch,0);
+        EXPECT_STREQ(string,"region       box block 0 2 0 2 0 2");
+
+        strcpy(string,demo_input[2]);
+        lmp->input->substitute(string,scratch,nstring,nscratch,0);
+        EXPECT_STREQ(string,"create_atoms 1 single 1.0 1.0 1.5");
+        lmp->memory->destroy(string);
+        lmp->memory->destroy(scratch);
+    };
+}