From 471599cb8d9d88de772005ac016b7920c3a5232e Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Thu, 27 Feb 2025 17:35:21 +0100
Subject: [PATCH] mmcif writer: use semi-colon when writing multiline values
---
modules/io/src/mol/star_writer.hh | 33 ++++++++++++++++++++++++++-----
1 file changed, 28 insertions(+), 5 deletions(-)
diff --git a/modules/io/src/mol/star_writer.hh b/modules/io/src/mol/star_writer.hh
index 53923e957..fd1b094a6 100644
--- a/modules/io/src/mol/star_writer.hh
+++ b/modules/io/src/mol/star_writer.hh
@@ -125,11 +125,22 @@ public:
// * loop_ (case insensitive)
// * stop_ (case insensitive)
// * global_ (case insensitive)
+
+ bool is_multiline = false;
bool needs_quotes = false;
+ // newline in string
+ for(char c: string_value) {
+ if(c == '\n') {
+ is_multiline = true;
+ break;
+ }
+ }
+
// space in string
for(char c: string_value) {
- if(isspace(c)) {
+ if(isspace(c) && c != '\n') {
+ // linebreaks evaluate to true in isspace but do not require quotes
needs_quotes = true;
break;
}
@@ -219,9 +230,16 @@ public:
}
}
- if(needs_quotes) {
+ if(is_multiline && needs_quotes) {
+ value.value_ = "\n;\"" + string_value + "\"\n;\n";
+ }
+ else if(needs_quotes) {
value.value_ = "\"" + string_value + "\"";
- } else {
+ }
+ else if(is_multiline) {
+ value.value_ = "\n;" + string_value + "\n;\n";
+ }
+ else {
value.value_ = string_value;
}
}
@@ -315,9 +333,14 @@ public:
desc_.ToStream(s);
int desc_size = desc_.GetSize();
for(size_t i = 0; i < data_.size(); ++i) {
- s << data_[i].GetValue();
+ const String& v = data_[i].GetValue();
+ s << v;
+ bool ends_with_newline = v.back() == '\n';
if((i+1) % desc_size == 0) {
- s << std::endl;
+ // no need for newline if the last item ended with a newline anyways
+ if(!ends_with_newline) {
+ s << std::endl;
+ }
} else {
s << ' ';
}
--
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