mirror of https://github.com/lammps/lammps.git
523 lines
18 KiB
C++
523 lines
18 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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LAMMPS Development team: developers@lammps.org
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "../testing/core.h"
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#include "../testing/utils.h"
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#include "atom.h"
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#include "domain.h"
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#include "error.h"
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#include "info.h"
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#include "input.h"
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#include "lammps.h"
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#include "update.h"
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#include "gmock/gmock.h"
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#include "gtest/gtest.h"
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#include <cstdio>
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#include <mpi.h>
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#include <string>
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using namespace LAMMPS_NS;
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using testing::StrEq;
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using utils::read_lines_from_file;
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using utils::sfgets;
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using utils::sfread;
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using utils::split_words;
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// whether to print verbose output (i.e. not capturing LAMMPS screen output).
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bool verbose = false;
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class FileOperationsTest : public LAMMPSTest {
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protected:
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void SetUp() override
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{
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testbinary = "FileOperationsTest";
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LAMMPSTest::SetUp();
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ASSERT_NE(lmp, nullptr);
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std::ofstream out("safe_file_read_test.txt", std::ios_base::out | std::ios_base::binary);
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ASSERT_TRUE(out.good());
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out << "one line\ntwo_lines\n\nno newline";
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out.close();
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out.open("file_with_long_lines_test.txt", std::ios_base::out | std::ios_base::binary);
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ASSERT_TRUE(out.good());
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out << "zero ##########################################################"
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"##################################################################"
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"##################################################################"
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"############################################################\n";
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out << "one line\ntwo_lines\n\n";
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for (int i = 0; i < 100; ++i)
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out << "one two ";
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out << "\nthree\nfour five #";
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for (int i = 0; i < 1000; ++i)
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out << '#';
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out.close();
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}
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void TearDown() override
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{
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LAMMPSTest::TearDown();
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remove("safe_file_read_test.txt");
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remove("file_with_long_lines_test.txt");
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}
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};
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static constexpr int MAX_BUF_SIZE = 128;
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TEST_F(FileOperationsTest, safe_fgets)
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{
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char buf[MAX_BUF_SIZE];
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FILE *fp = fopen("safe_file_read_test.txt", "rb");
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ASSERT_NE(fp, nullptr);
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memset(buf, 0, MAX_BUF_SIZE);
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utils::sfgets(FLERR, buf, MAX_BUF_SIZE, fp, "safe_file_read_test.txt", lmp->error);
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ASSERT_THAT(buf, StrEq("one line\n"));
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memset(buf, 0, MAX_BUF_SIZE);
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utils::sfgets(FLERR, buf, MAX_BUF_SIZE, fp, "safe_file_read_test.txt", lmp->error);
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ASSERT_THAT(buf, StrEq("two_lines\n"));
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memset(buf, 0, MAX_BUF_SIZE);
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utils::sfgets(FLERR, buf, MAX_BUF_SIZE, fp, "safe_file_read_test.txt", lmp->error);
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ASSERT_THAT(buf, StrEq("\n"));
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memset(buf, 0, MAX_BUF_SIZE);
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utils::sfgets(FLERR, buf, 4, fp, "safe_file_read_test.txt", lmp->error);
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ASSERT_THAT(buf, StrEq("no "));
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memset(buf, 0, MAX_BUF_SIZE);
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utils::sfgets(FLERR, buf, MAX_BUF_SIZE, fp, "safe_file_read_test.txt", lmp->error);
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ASSERT_THAT(buf, StrEq("newline"));
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memset(buf, 0, MAX_BUF_SIZE);
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TEST_FAILURE(
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".*ERROR on proc 0: Unexpected end of file while "
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"reading file 'safe_file_read_test.txt'.*",
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utils::sfgets(FLERR, buf, MAX_BUF_SIZE, fp, "safe_file_read_test.txt", lmp->error););
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fclose(fp);
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}
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TEST_F(FileOperationsTest, fgets_trunc)
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{
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char buf[MAX_BUF_SIZE];
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char *ptr;
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FILE *fp = fopen("safe_file_read_test.txt", "rb");
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ASSERT_NE(fp, nullptr);
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// read line shorter than buffer
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memset(buf, 0, MAX_BUF_SIZE);
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ptr = utils::fgets_trunc(buf, MAX_BUF_SIZE, fp);
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ASSERT_THAT(buf, StrEq("one line\n"));
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ASSERT_NE(ptr, nullptr);
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// read line of exactly the buffer length
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memset(buf, 0, MAX_BUF_SIZE);
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ptr = utils::fgets_trunc(buf, sizeof("two_lines\n"), fp);
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ASSERT_THAT(buf, StrEq("two_lines\n"));
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ASSERT_NE(ptr, nullptr);
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memset(buf, 0, MAX_BUF_SIZE);
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ptr = utils::fgets_trunc(buf, MAX_BUF_SIZE, fp);
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ASSERT_THAT(buf, StrEq("\n"));
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ASSERT_NE(ptr, nullptr);
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memset(buf, 0, MAX_BUF_SIZE);
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ptr = utils::fgets_trunc(buf, 4, fp);
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ASSERT_THAT(buf, StrEq("no\n"));
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ASSERT_NE(ptr, nullptr);
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ptr = utils::fgets_trunc(buf, MAX_BUF_SIZE, fp);
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ASSERT_EQ(ptr, nullptr);
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fclose(fp);
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fp = fopen("file_with_long_lines_test.txt", "r");
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ASSERT_NE(fp, nullptr);
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memset(buf, 0, MAX_BUF_SIZE);
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ptr = utils::fgets_trunc(buf, MAX_BUF_SIZE, fp);
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ASSERT_NE(ptr, nullptr);
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ASSERT_THAT(buf, StrEq("zero ##########################################################"
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"###############################################################\n"));
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ptr = utils::fgets_trunc(buf, MAX_BUF_SIZE, fp);
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ASSERT_THAT(buf, StrEq("one line\n"));
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ASSERT_NE(ptr, nullptr);
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ptr = utils::fgets_trunc(buf, MAX_BUF_SIZE, fp);
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ASSERT_THAT(buf, StrEq("two_lines\n"));
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ASSERT_NE(ptr, nullptr);
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ptr = utils::fgets_trunc(buf, MAX_BUF_SIZE, fp);
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ASSERT_THAT(buf, StrEq("\n"));
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ASSERT_NE(ptr, nullptr);
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ptr = utils::fgets_trunc(buf, MAX_BUF_SIZE, fp);
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ASSERT_NE(ptr, nullptr);
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ASSERT_THAT(buf, StrEq("one two one two one two one two one two one two one two one two "
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"one two one two one two one two one two one two one two one tw\n"));
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fclose(fp);
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}
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TEST_F(FileOperationsTest, safe_fread)
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{
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char buf[MAX_BUF_SIZE];
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FILE *fp = fopen("safe_file_read_test.txt", "rb");
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ASSERT_NE(fp, nullptr);
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memset(buf, 0, MAX_BUF_SIZE);
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utils::sfread(FLERR, buf, 1, 9, fp, "safe_file_read_test.txt", lmp->error);
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ASSERT_THAT(buf, StrEq("one line\n"));
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memset(buf, 0, MAX_BUF_SIZE);
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utils::sfread(FLERR, buf, 1, 10, fp, "safe_file_read_test.txt", nullptr);
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ASSERT_THAT(buf, StrEq("two_lines\n"));
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TEST_FAILURE(".*ERROR on proc 0: Unexpected end of file while "
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"reading file 'safe_file_read_test.txt'.*",
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utils::sfread(FLERR, buf, 1, 100, fp, "safe_file_read_test.txt", lmp->error););
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// short read but no error triggered due to passing a NULL pointer
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memset(buf, 0, MAX_BUF_SIZE);
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clearerr(fp);
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rewind(fp);
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utils::sfread(FLERR, buf, 1, 100, fp, "safe_file_read_test.txt", nullptr);
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ASSERT_THAT(buf, StrEq("one line\ntwo_lines\n\nno newline"));
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fclose(fp);
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}
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TEST_F(FileOperationsTest, read_lines_from_file)
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{
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char *buf = new char[MAX_BUF_SIZE];
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FILE *fp = nullptr;
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MPI_Comm world = MPI_COMM_WORLD;
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int me, rv;
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memset(buf, 0, MAX_BUF_SIZE);
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MPI_Comm_rank(world, &me);
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rv = utils::read_lines_from_file(nullptr, 1, MAX_BUF_SIZE, buf, me, world);
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ASSERT_EQ(rv, 1);
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if (me == 0) {
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fp = fopen("safe_file_read_test.txt", "r");
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ASSERT_NE(fp, nullptr);
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} else
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ASSERT_EQ(fp, nullptr);
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rv = utils::read_lines_from_file(fp, 2, MAX_BUF_SIZE / 2, buf, me, world);
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ASSERT_EQ(rv, 0);
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ASSERT_THAT(buf, StrEq("one line\ntwo_lines\n"));
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rv = utils::read_lines_from_file(fp, 2, MAX_BUF_SIZE / 2, buf, me, world);
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ASSERT_EQ(rv, 0);
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ASSERT_THAT(buf, StrEq("\nno newline\n"));
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rv = utils::read_lines_from_file(fp, 2, MAX_BUF_SIZE / 2, buf, me, world);
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ASSERT_EQ(rv, 1);
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delete[] buf;
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}
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TEST_F(FileOperationsTest, logmesg)
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{
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char buf[64];
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BEGIN_HIDE_OUTPUT();
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command("echo none");
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END_HIDE_OUTPUT();
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BEGIN_CAPTURE_OUTPUT();
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utils::logmesg(lmp, "one\n");
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command("log test_logmesg.log");
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utils::logmesg(lmp, "two\n");
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utils::logmesg(lmp, "three={}\n", 3);
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utils::logmesg(lmp, "four {} {}\n", 4);
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utils::logmesg(lmp, "five\n", 5);
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utils::logmesg(lmp, "six {}\n");
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command("log none");
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std::string out = END_CAPTURE_OUTPUT();
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memset(buf, 0, 64);
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FILE *fp = fopen("test_logmesg.log", "r");
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fread(buf, 1, 64, fp);
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fclose(fp);
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ASSERT_THAT(out, StrEq("one\ntwo\nthree=3\nargument not found\nfive\nsix {}\n"));
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ASSERT_THAT(buf, StrEq("two\nthree=3\nargument not found\nfive\nsix {}\n"));
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remove("test_logmesg.log");
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}
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TEST_F(FileOperationsTest, error_message_warn)
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{
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char buf[64];
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BEGIN_HIDE_OUTPUT();
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command("echo none");
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command("log test_error_warn.log");
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END_HIDE_OUTPUT();
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BEGIN_CAPTURE_OUTPUT();
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lmp->error->message("testme.cpp", 10, "message me");
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lmp->error->warning("testme.cpp", 100, "warn me");
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command("log none");
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std::string out = END_CAPTURE_OUTPUT();
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memset(buf, 0, 64);
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FILE *fp = fopen("test_error_warn.log", "r");
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fread(buf, 1, 64, fp);
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fclose(fp);
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auto msg = StrEq("message me (testme.cpp:10)\n"
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"WARNING: warn me (testme.cpp:100)\n");
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ASSERT_THAT(out, msg);
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ASSERT_THAT(buf, msg);
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remove("test_error_warn.log");
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}
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TEST_F(FileOperationsTest, error_all_one)
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{
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BEGIN_HIDE_OUTPUT();
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command("echo none");
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command("log none");
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END_HIDE_OUTPUT();
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TEST_FAILURE(".*ERROR: exit \\(testme.cpp:10\\).*", lmp->error->all("testme.cpp", 10, "exit"););
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TEST_FAILURE(".*ERROR: exit too \\(testme.cpp:10\\).*",
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lmp->error->all("testme.cpp", 10, "exit {}", "too"););
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TEST_FAILURE(".*ERROR: argument not found \\(testme.cpp:10\\).*",
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lmp->error->all("testme.cpp", 10, "exit {} {}", "too"););
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TEST_FAILURE(".*ERROR on proc 0: exit \\(testme.cpp:10\\).*",
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lmp->error->one("testme.cpp", 10, "exit"););
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TEST_FAILURE(".*ERROR on proc 0: exit too \\(testme.cpp:10\\).*",
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lmp->error->one("testme.cpp", 10, "exit {}", "too"););
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TEST_FAILURE(".*ERROR on proc 0: argument not found \\(testme.cpp:10\\).*",
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lmp->error->one("testme.cpp", 10, "exit {} {}", "too"););
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}
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TEST_F(FileOperationsTest, write_restart)
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{
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BEGIN_HIDE_OUTPUT();
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command("echo none");
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END_HIDE_OUTPUT();
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TEST_FAILURE(".*ERROR: Write_restart command before simulation box is defined.*",
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command("write_restart test.restart"););
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BEGIN_HIDE_OUTPUT();
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command("region box block -2 2 -2 2 -2 2");
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command("create_box 1 box");
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command("create_atoms 1 single 0.0 0.0 0.0");
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command("mass 1 1.0");
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command("reset_timestep 333");
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command("comm_modify cutoff 0.2");
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command("write_restart noinit.restart noinit");
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command("run 0 post no");
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command("write_restart test.restart");
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command("write_restart step*.restart");
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command("write_restart multi-%.restart");
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command("write_restart multi2-%.restart fileper 2");
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command("write_restart multi3-%.restart nfile 1");
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if (Info::has_package("MPIIO")) command("write_restart test.restart.mpiio");
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END_HIDE_OUTPUT();
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ASSERT_FILE_EXISTS("noinit.restart");
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ASSERT_FILE_EXISTS("test.restart");
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ASSERT_FILE_EXISTS("step333.restart");
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ASSERT_FILE_EXISTS("multi-base.restart");
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ASSERT_FILE_EXISTS("multi-0.restart");
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ASSERT_FILE_EXISTS("multi2-base.restart");
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ASSERT_FILE_EXISTS("multi2-0.restart");
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ASSERT_FILE_EXISTS("multi3-base.restart");
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ASSERT_FILE_EXISTS("multi3-0.restart");
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if (Info::has_package("MPIIO")) {
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ASSERT_FILE_EXISTS("test.restart.mpiio");
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}
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if (!Info::has_package("MPIIO")) {
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TEST_FAILURE(".*ERROR: Writing to MPI-IO filename when MPIIO package is not inst.*",
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command("write_restart test.restart.mpiio"););
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} else {
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TEST_FAILURE(".*ERROR: Restart file MPI-IO output not allowed with % in filename.*",
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command("write_restart test.restart-%.mpiio"););
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}
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TEST_FAILURE(".*ERROR: Illegal write_restart command.*", command("write_restart"););
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TEST_FAILURE(".*ERROR: Unknown write_restart keyword: xxxx.*",
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command("write_restart test.restart xxxx"););
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TEST_FAILURE(".*ERROR on proc 0: Cannot open restart file some_crazy_dir/test.restart:"
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" No such file or directory.*",
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command("write_restart some_crazy_dir/test.restart"););
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BEGIN_HIDE_OUTPUT();
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command("clear");
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END_HIDE_OUTPUT();
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ASSERT_EQ(lmp->atom->natoms, 0);
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ASSERT_EQ(lmp->update->ntimestep, 0);
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ASSERT_EQ(lmp->domain->triclinic, 0);
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TEST_FAILURE(
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".*ERROR on proc 0: Cannot open restart file noexist.restart: No such file or directory.*",
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command("read_restart noexist.restart"););
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BEGIN_HIDE_OUTPUT();
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command("read_restart step333.restart");
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command("change_box all triclinic");
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command("write_restart triclinic.restart");
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END_HIDE_OUTPUT();
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ASSERT_EQ(lmp->atom->natoms, 1);
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ASSERT_EQ(lmp->update->ntimestep, 333);
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ASSERT_EQ(lmp->domain->triclinic, 1);
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BEGIN_HIDE_OUTPUT();
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command("clear");
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END_HIDE_OUTPUT();
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ASSERT_EQ(lmp->atom->natoms, 0);
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ASSERT_EQ(lmp->update->ntimestep, 0);
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ASSERT_EQ(lmp->domain->triclinic, 0);
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BEGIN_HIDE_OUTPUT();
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command("read_restart triclinic.restart");
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END_HIDE_OUTPUT();
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ASSERT_EQ(lmp->atom->natoms, 1);
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ASSERT_EQ(lmp->update->ntimestep, 333);
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ASSERT_EQ(lmp->domain->triclinic, 1);
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// clean up
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delete_file("noinit.restart");
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delete_file("test.restart");
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delete_file("step333.restart");
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delete_file("multi-base.restart");
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delete_file("multi-0.restart");
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delete_file("multi2-base.restart");
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delete_file("multi2-0.restart");
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delete_file("multi3-base.restart");
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delete_file("multi3-0.restart");
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delete_file("triclinic.restart");
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if (Info::has_package("MPIIO")) delete_file("test.restart.mpiio");
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}
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TEST_F(FileOperationsTest, write_data)
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{
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BEGIN_HIDE_OUTPUT();
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command("echo none");
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END_HIDE_OUTPUT();
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TEST_FAILURE(".*ERROR: Write_data command before simulation box is defined.*",
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command("write_data test.data"););
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BEGIN_HIDE_OUTPUT();
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command("region box block -2 2 -2 2 -2 2");
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command("create_box 2 box");
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command("create_atoms 1 single 0.5 0.0 0.0");
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command("pair_style zero 1.0");
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command("pair_coeff * *");
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command("mass * 1.0");
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command("reset_timestep 333");
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command("write_data noinit.data noinit");
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command("write_data nocoeff.data nocoeff");
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command("run 0 post no");
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command("write_data test.data");
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command("write_data step*.data pair ij");
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command("fix q all property/atom q");
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command("set type 1 charge -0.5");
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command("write_data charge.data");
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command("write_data nofix.data nofix");
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END_HIDE_OUTPUT();
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ASSERT_FILE_EXISTS("noinit.data");
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ASSERT_EQ(count_lines("noinit.data"), 26);
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ASSERT_FILE_EXISTS("test.data");
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ASSERT_EQ(count_lines("test.data"), 26);
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ASSERT_FILE_EXISTS("step333.data");
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ASSERT_EQ(count_lines("step333.data"), 27);
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ASSERT_FILE_EXISTS("nocoeff.data");
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ASSERT_EQ(count_lines("nocoeff.data"), 21);
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ASSERT_FILE_EXISTS("nofix.data");
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ASSERT_EQ(count_lines("nofix.data"), 26);
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ASSERT_FILE_EXISTS("charge.data");
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ASSERT_EQ(count_lines("charge.data"), 30);
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TEST_FAILURE(".*ERROR: Illegal write_data command: missing argument.*", command("write_data"););
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TEST_FAILURE(".*ERROR: Unknown write_data keyword: xxxx.*",
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command("write_data test.data xxxx"););
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TEST_FAILURE(".*ERROR: Illegal write_data pair command: missing argument.*",
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|
command("write_data test.data pair"););
|
|
TEST_FAILURE(".*ERROR: Unknown write_data pair option: xx.*",
|
|
command("write_data test.data pair xx"););
|
|
TEST_FAILURE(".*ERROR: Illegal write_data types command: missing argument.*",
|
|
command("write_data test.data types"););
|
|
TEST_FAILURE(".*ERROR: Unknown write_data types option: xx.*",
|
|
command("write_data test.data types xx"););
|
|
TEST_FAILURE(".*ERROR on proc 0: Cannot open data file some_crazy_dir/test.data:"
|
|
" No such file or directory.*",
|
|
command("write_data some_crazy_dir/test.data"););
|
|
|
|
BEGIN_HIDE_OUTPUT();
|
|
command("clear");
|
|
END_HIDE_OUTPUT();
|
|
ASSERT_EQ(lmp->domain->box_exist, 0);
|
|
ASSERT_EQ(lmp->atom->natoms, 0);
|
|
ASSERT_EQ(lmp->update->ntimestep, 0);
|
|
ASSERT_EQ(lmp->domain->triclinic, 0);
|
|
|
|
TEST_FAILURE(".*ERROR: Cannot open file noexist.data: No such file or directory.*",
|
|
command("read_data noexist.data"););
|
|
|
|
BEGIN_HIDE_OUTPUT();
|
|
command("pair_style zero 1.0");
|
|
command("read_data step333.data");
|
|
command("change_box all triclinic");
|
|
command("write_data triclinic.data");
|
|
END_HIDE_OUTPUT();
|
|
ASSERT_EQ(lmp->atom->natoms, 1);
|
|
ASSERT_EQ(lmp->update->ntimestep, 0);
|
|
ASSERT_EQ(lmp->domain->triclinic, 1);
|
|
BEGIN_HIDE_OUTPUT();
|
|
command("clear");
|
|
END_HIDE_OUTPUT();
|
|
ASSERT_EQ(lmp->atom->natoms, 0);
|
|
ASSERT_EQ(lmp->domain->triclinic, 0);
|
|
BEGIN_HIDE_OUTPUT();
|
|
command("pair_style zero 1.0");
|
|
command("read_data triclinic.data");
|
|
END_HIDE_OUTPUT();
|
|
ASSERT_EQ(lmp->atom->natoms, 1);
|
|
ASSERT_EQ(lmp->domain->triclinic, 1);
|
|
|
|
// clean up
|
|
delete_file("charge.data");
|
|
delete_file("nocoeff.data");
|
|
delete_file("noinit.data");
|
|
delete_file("nofix.data");
|
|
delete_file("test.data");
|
|
delete_file("step333.data");
|
|
delete_file("triclinic.data");
|
|
}
|
|
|
|
int main(int argc, char **argv)
|
|
{
|
|
MPI_Init(&argc, &argv);
|
|
::testing::InitGoogleMock(&argc, argv);
|
|
|
|
if (platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
|
|
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
|
|
|
|
// handle arguments passed via environment variable
|
|
if (const char *var = getenv("TEST_ARGS")) {
|
|
std::vector<std::string> env = split_words(var);
|
|
for (auto arg : env) {
|
|
if (arg == "-v") {
|
|
verbose = true;
|
|
}
|
|
}
|
|
}
|
|
|
|
if ((argc > 1) && (strcmp(argv[1], "-v") == 0)) verbose = true;
|
|
|
|
int rv = RUN_ALL_TESTS();
|
|
MPI_Finalize();
|
|
return rv;
|
|
}
|