From c3a3a7f996bd5b7749eef960a0218751e3e0c195 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Mon, 22 Jul 2024 18:45:42 +0200
Subject: [PATCH] fix: only read multiple data blocks in fault_tolerant mode
---
modules/io/src/mol/mmcif_reader.cc | 12 ++++++++++++
1 file changed, 12 insertions(+)
diff --git a/modules/io/src/mol/mmcif_reader.cc b/modules/io/src/mol/mmcif_reader.cc
index 64d632755..c307a22a2 100644
--- a/modules/io/src/mol/mmcif_reader.cc
+++ b/modules/io/src/mol/mmcif_reader.cc
@@ -99,6 +99,18 @@ bool MMCifReader::OnBeginData(const StringRef& data_name)
{
LOG_DEBUG("MCIFFReader: " << profile_);
Profile profile_import("MMCifReader::OnBeginData");
+ if (chain_count_ > 0) {
+ std::stringstream ss;
+ ss << "Can only read one data block. Found second one 'data_" << data_name << "'.";
+ if (profile_.fault_tolerant) {
+ LOG_WARNING(ss.str());
+ } else {
+ throw IOException(this->FormatDiagnostic(STAR_DIAG_ERROR,
+ ss.str(),
+ this->GetCurrentLinenum()));
+ }
+
+ }
// IDs in mmCIF files can be any string, so no restrictions here
--
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