From fcc15eca6f80f54e967803d8c510c3218c9094b9 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Thu, 21 Dec 2023 17:04:04 +0100
Subject: [PATCH] mmcif writer: bugfix
---
modules/io/src/mol/star_writer.hh | 12 +++++++++++-
1 file changed, 11 insertions(+), 1 deletion(-)
diff --git a/modules/io/src/mol/star_writer.hh b/modules/io/src/mol/star_writer.hh
index 61e0f2602..b09f2109b 100644
--- a/modules/io/src/mol/star_writer.hh
+++ b/modules/io/src/mol/star_writer.hh
@@ -104,9 +104,19 @@ public:
// - special characters in strings (put in quotation marks)
// - long strings (semicolon based syntax)
// see https://mmcif.wwpdb.org/docs/tutorials/mechanics/pdbx-mmcif-syntax.html
+ bool has_space = false;
+ for(char c: string_value) {
+ if(isspace(c)) {
+ has_space = true;
+ break;
+ }
+ }
if(string_value == "") {
value.value_ = ".";
- } else {
+ } else if(has_space) {
+ value.value_ = "'" + string_value + "'";
+ }
+ else {
value.value_ = string_value;
}
return value;
--
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