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Add dump atom tests with image=yes

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This commit is contained in:
Richard Berger
2020-08-11 18:12:53 -04:00
parent 560c29a0e1
commit 873b8b0104
1 changed files with 109 additions and 2 deletions
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111
unittest/formats/test_dump.cpp
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@ -63,6 +63,17 @@ static bool equal_lines(const std::string &fileA, const std::string &fileB)
return true; return true;
} }
static std::vector<std::string> read_lines(const std::string &filename) {
std::vector<std::string> lines;
std::ifstream infile(filename);
std::string line;
while (std::getline(infile, line))
lines.push_back(line);
return lines;
}
static bool file_exists(const std::string &filename) { static bool file_exists(const std::string &filename) {
struct stat result; struct stat result;
return stat(filename.c_str(), &result) == 0; return stat(filename.c_str(), &result) == 0;
@ -137,10 +148,33 @@ TEST_F(DumpAtomTest, run0)
if (!verbose) ::testing::internal::GetCapturedStdout(); if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_FILE_EXISTS("dump_run0.melt"); ASSERT_FILE_EXISTS("dump_run0.melt");
ASSERT_EQ(count_lines("dump_run0.melt"), 41); auto lines = read_lines("dump_run0.melt");
ASSERT_EQ(lines.size(), 41);
ASSERT_STREQ(lines[4].c_str(), "ITEM: BOX BOUNDS pp pp pp");
ASSERT_EQ(utils::split_words(lines[5]).size(), 2);
ASSERT_STREQ(lines[8].c_str(), "ITEM: ATOMS id type xs ys zs");
ASSERT_EQ(utils::split_words(lines[9]).size(), 5);
delete_file("dump_run0.melt"); delete_file("dump_run0.melt");
} }
TEST_F(DumpAtomTest, with_image_run0)
{
if (!verbose) ::testing::internal::CaptureStdout();
command("dump id all atom 1 dump_with_image_run0.melt");
command("dump_modify id image yes");
command("run 0");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_FILE_EXISTS("dump_with_image_run0.melt");
auto lines = read_lines("dump_with_image_run0.melt");
ASSERT_EQ(lines.size(), 41);
ASSERT_STREQ(lines[8].c_str(), "ITEM: ATOMS id type xs ys zs ix iy iz");
ASSERT_EQ(utils::split_words(lines[9]).size(), 8);
delete_file("dump_with_image_run0.melt");
}
TEST_F(DumpAtomTest, tricilinic_run0) TEST_F(DumpAtomTest, tricilinic_run0)
{ {
if (!verbose) ::testing::internal::CaptureStdout(); if (!verbose) ::testing::internal::CaptureStdout();
@ -151,10 +185,38 @@ TEST_F(DumpAtomTest, tricilinic_run0)
if (!verbose) ::testing::internal::GetCapturedStdout(); if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_FILE_EXISTS("dump_triclinic_run0.melt"); ASSERT_FILE_EXISTS("dump_triclinic_run0.melt");
ASSERT_EQ(count_lines("dump_triclinic_run0.melt"), 41);
auto lines = read_lines("dump_triclinic_run0.melt");
ASSERT_STREQ(lines[4].c_str(), "ITEM: BOX BOUNDS xy xz yz pp pp pp");
ASSERT_EQ(utils::split_words(lines[5]).size(), 3);
ASSERT_EQ(lines.size(), 41);
delete_file("dump_triclinic_run0.melt"); delete_file("dump_triclinic_run0.melt");
} }
TEST_F(DumpAtomTest, triclinic_with_image_run0)
{
if (!verbose) ::testing::internal::CaptureStdout();
command("change_box all triclinic");
command("dump id all atom 1 dump_triclinic_with_image_run0.melt");
command("dump_modify id image yes");
command("run 0");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_FILE_EXISTS("dump_triclinic_with_image_run0.melt");
auto lines = read_lines("dump_triclinic_with_image_run0.melt");
ASSERT_EQ(lines.size(), 41);
ASSERT_STREQ(lines[4].c_str(), "ITEM: BOX BOUNDS xy xz yz pp pp pp");
ASSERT_EQ(utils::split_words(lines[5]).size(), 3);
ASSERT_STREQ(lines[8].c_str(), "ITEM: ATOMS id type xs ys zs ix iy iz");
ASSERT_EQ(utils::split_words(lines[9]).size(), 8);
delete_file("dump_tricilinic_with_image_run0.melt");
}
TEST_F(DumpAtomTest, binary_run0) TEST_F(DumpAtomTest, binary_run0)
{ {
if(!BINARY2TXT_BINARY) GTEST_SKIP(); if(!BINARY2TXT_BINARY) GTEST_SKIP();
@ -167,8 +229,12 @@ TEST_F(DumpAtomTest, binary_run0)
ASSERT_FILE_EXISTS("dump_text_run0.melt"); ASSERT_FILE_EXISTS("dump_text_run0.melt");
ASSERT_FILE_EXISTS("dump_binary_run0.melt.bin"); ASSERT_FILE_EXISTS("dump_binary_run0.melt.bin");
if (!verbose) ::testing::internal::CaptureStdout();
std::string cmdline = fmt::format("{} dump_binary_run0.melt.bin", BINARY2TXT_BINARY); std::string cmdline = fmt::format("{} dump_binary_run0.melt.bin", BINARY2TXT_BINARY);
system(cmdline.c_str()); system(cmdline.c_str());
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_FILE_EXISTS("dump_binary_run0.melt.bin.txt"); ASSERT_FILE_EXISTS("dump_binary_run0.melt.bin.txt");
ASSERT_FILE_EQUAL("dump_text_run0.melt", "dump_binary_run0.melt.bin.txt"); ASSERT_FILE_EQUAL("dump_text_run0.melt", "dump_binary_run0.melt.bin.txt");
delete_file("dump_text_run0.melt"); delete_file("dump_text_run0.melt");
@ -189,8 +255,12 @@ TEST_F(DumpAtomTest, binary_triclinic_run0)
ASSERT_FILE_EXISTS("dump_text_tri_run0.melt"); ASSERT_FILE_EXISTS("dump_text_tri_run0.melt");
ASSERT_FILE_EXISTS("dump_binary_tri_run0.melt.bin"); ASSERT_FILE_EXISTS("dump_binary_tri_run0.melt.bin");
if (!verbose) ::testing::internal::CaptureStdout();
std::string cmdline = fmt::format("{} dump_binary_tri_run0.melt.bin", BINARY2TXT_BINARY); std::string cmdline = fmt::format("{} dump_binary_tri_run0.melt.bin", BINARY2TXT_BINARY);
system(cmdline.c_str()); system(cmdline.c_str());
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_FILE_EXISTS("dump_binary_tri_run0.melt.bin.txt"); ASSERT_FILE_EXISTS("dump_binary_tri_run0.melt.bin.txt");
ASSERT_FILE_EQUAL("dump_text_tri_run0.melt", "dump_binary_tri_run0.melt.bin.txt"); ASSERT_FILE_EQUAL("dump_text_tri_run0.melt", "dump_binary_tri_run0.melt.bin.txt");
delete_file("dump_text_tri_run0.melt"); delete_file("dump_text_tri_run0.melt");
@ -198,6 +268,43 @@ TEST_F(DumpAtomTest, binary_triclinic_run0)
delete_file("dump_binary_tri_run0.melt.bin.txt"); delete_file("dump_binary_tri_run0.melt.bin.txt");
} }
TEST_F(DumpAtomTest, binary_triclinic_with_image_run0)
{
if (!verbose) ::testing::internal::CaptureStdout();
command("change_box all triclinic");
command("dump id0 all atom 1 dump_text_tri_with_image_run0.melt");
command("dump id1 all atom 1 dump_binary_tri_with_image_run0.melt.bin");
command("dump_modify id0 image yes");
command("dump_modify id1 image yes");
command("run 0");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_FILE_EXISTS("dump_text_tri_with_image_run0.melt");
ASSERT_FILE_EXISTS("dump_binary_tri_with_image_run0.melt.bin");
if (!verbose) ::testing::internal::CaptureStdout();
std::string cmdline = fmt::format("{} dump_binary_tri_with_image_run0.melt.bin", BINARY2TXT_BINARY);
system(cmdline.c_str());
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_FILE_EXISTS("dump_binary_tri_with_image_run0.melt.bin.txt");
ASSERT_FILE_EQUAL("dump_text_tri_with_image_run0.melt",
"dump_binary_tri_with_image_run0.melt.bin.txt");
auto lines = read_lines("dump_binary_tri_with_image_run0.melt.bin.txt");
ASSERT_EQ(lines.size(), 41);
ASSERT_STREQ(lines[4].c_str(), "ITEM: BOX BOUNDS xy xz yz pp pp pp");
ASSERT_EQ(utils::split_words(lines[5]).size(), 3);
ASSERT_STREQ(lines[8].c_str(), "ITEM: ATOMS id type xs ys zs ix iy iz");
ASSERT_EQ(utils::split_words(lines[9]).size(), 8);
delete_file("dump_text_tri_with_image_run0.melt");
delete_file("dump_binary_tri_with_image_run0.melt.bin");
delete_file("dump_binary_tri_with_image_run0.melt.bin.txt");
}
TEST_F(DumpAtomTest, run1) TEST_F(DumpAtomTest, run1)
{ {
if (!verbose) ::testing::internal::CaptureStdout(); if (!verbose) ::testing::internal::CaptureStdout();