From dba3cce883b8c89fa5a012818990f4d851532bc1 Mon Sep 17 00:00:00 2001
From: Richard Berger <richard.berger@temple.edu>
Date: Mon, 12 Apr 2021 20:03:58 -0400
Subject: [PATCH] Make dump xyz/gz, xyz/zstd compatible to 'buffer no' option

---
 src/COMPRESS/dump_xyz_gz.cpp                  | 19 +++++++++++-
 src/COMPRESS/dump_xyz_zstd.cpp                | 19 +++++++++++-
 unittest/formats/test_dump_xyz_compressed.cpp | 31 +++++++++++++++++++
 3 files changed, 67 insertions(+), 2 deletions(-)

diff --git a/src/COMPRESS/dump_xyz_gz.cpp b/src/COMPRESS/dump_xyz_gz.cpp
index 0697f19ce3..abd6e7fa78 100644
--- a/src/COMPRESS/dump_xyz_gz.cpp
+++ b/src/COMPRESS/dump_xyz_gz.cpp
@@ -109,7 +109,24 @@ void DumpXYZGZ::write_header(bigint ndump)
 
 void DumpXYZGZ::write_data(int n, double *mybuf)
 {
-  writer.write(mybuf, n);
+  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;
+    }
+  }
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/COMPRESS/dump_xyz_zstd.cpp b/src/COMPRESS/dump_xyz_zstd.cpp
index cb75542337..74e482717b 100644
--- a/src/COMPRESS/dump_xyz_zstd.cpp
+++ b/src/COMPRESS/dump_xyz_zstd.cpp
@@ -120,7 +120,24 @@ void DumpXYZZstd::write_header(bigint ndump)
 
 void DumpXYZZstd::write_data(int n, double *mybuf)
 {
-  writer.write(mybuf, n);
+  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;
+    }
+  }
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/unittest/formats/test_dump_xyz_compressed.cpp b/unittest/formats/test_dump_xyz_compressed.cpp
index b627cb5a99..d9aa8e370d 100644
--- a/unittest/formats/test_dump_xyz_compressed.cpp
+++ b/unittest/formats/test_dump_xyz_compressed.cpp
@@ -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();