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Make dump xyz/gz, xyz/zstd compatible to 'buffer no' option

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This commit is contained in:
Richard Berger
2021-04-12 20:03:58 -04:00
parent 47814292a1
commit dba3cce883
3 changed files with 67 additions and 2 deletions
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17
src/COMPRESS/dump_xyz_gz.cpp
View File

@ -109,7 +109,24 @@ void DumpXYZGZ::write_header(bigint ndump)
void DumpXYZGZ::write_data(int n, double *mybuf)
{
if (buffer_flag) {
writer.write(mybuf, n);
} else {
constexpr size_t VBUFFER_SIZE = 256;
char vbuffer[VBUFFER_SIZE];
int m = 0;
for (int i = 0; i < n; i++) {
int written = snprintf(vbuffer, VBUFFER_SIZE, format,
typenames[static_cast<int> (mybuf[m+1])],
mybuf[m+2],mybuf[m+3],mybuf[m+4]);
if (written > 0) {
writer.write(vbuffer, written);
} else if (written < 0) {
error->one(FLERR, "Error while writing dump xyz/gz output");
}
m += size_one;
}
}
}
/* ---------------------------------------------------------------------- */

17
src/COMPRESS/dump_xyz_zstd.cpp
View File

@ -120,7 +120,24 @@ void DumpXYZZstd::write_header(bigint ndump)
void DumpXYZZstd::write_data(int n, double *mybuf)
{
if (buffer_flag) {
writer.write(mybuf, n);
} else {
constexpr size_t VBUFFER_SIZE = 256;
char vbuffer[VBUFFER_SIZE];
int m = 0;
for (int i = 0; i < n; i++) {
int written = snprintf(vbuffer, VBUFFER_SIZE, format,
typenames[static_cast<int> (mybuf[m+1])],
mybuf[m+2],mybuf[m+3],mybuf[m+4]);
if (written > 0) {
writer.write(vbuffer, written);
} else if (written < 0) {
error->one(FLERR, "Error while writing dump xyz/gz output");
}
m += size_one;
}
}
}
/* ---------------------------------------------------------------------- */

31
unittest/formats/test_dump_xyz_compressed.cpp
View File

@ -60,6 +60,37 @@ TEST_F(DumpXYZCompressTest, compressed_run0)
delete_file(converted_file_0);
}
TEST_F(DumpXYZCompressTest, compressed_no_buffer_run0)
{
if (!COMPRESS_BINARY) GTEST_SKIP();
auto base_name = "no_buffer_run*.melt.xyz";
auto base_name_0 = "no_buffer_run0.melt.xyz";
auto text_files = text_dump_filename(base_name);
auto compressed_files = compressed_dump_filename(base_name);
auto text_file_0 = text_dump_filename(base_name_0);
auto compressed_file_0 = compressed_dump_filename(base_name_0);
if(compression_style == "xyz/zstd") {
generate_text_and_compressed_dump(text_files, compressed_files, "", "", "buffer no", "buffer no", 0);
} else {
generate_text_and_compressed_dump(text_files, compressed_files, "", "buffer no", 0);
}
TearDown();
ASSERT_FILE_EXISTS(text_file_0);
ASSERT_FILE_EXISTS(compressed_file_0);
auto converted_file_0 = convert_compressed_to_text(compressed_file_0);
ASSERT_FILE_EXISTS(converted_file_0);
ASSERT_FILE_EQUAL(text_file_0, converted_file_0);
delete_file(text_file_0);
delete_file(compressed_file_0);
delete_file(converted_file_0);
}
TEST_F(DumpXYZCompressTest, compressed_multi_file_run1)
{
if (!COMPRESS_BINARY) GTEST_SKIP();