From e82b4beaf62ad11f82f7f6cd0a61e922c205bd39 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Thu, 7 Dec 2023 13:46:30 +0100
Subject: [PATCH] logging: SCHWED-6088 give more details about the problem
---
modules/io/src/mol/mmcif_reader.cc | 8 ++++++++
1 file changed, 8 insertions(+)
diff --git a/modules/io/src/mol/mmcif_reader.cc b/modules/io/src/mol/mmcif_reader.cc
index 0fa4516c4..b6c2167cb 100644
--- a/modules/io/src/mol/mmcif_reader.cc
+++ b/modules/io/src/mol/mmcif_reader.cc
@@ -551,6 +551,10 @@ void MMCifReader::ParseAndAddAtom(const std::vector<StringRef>& columns)
// and the auth_seq_id or pdbx_PDB_ins_code were missing.
// There may be more elegant ways to detect that we crossed to a new
// residue that don't rely on auth_seq_id/pdbx_PDB_ins_code.
+ LOG_WARNING("_atom_site.label_seq_id is invalid for " <<
+ "residue '" << res_name << "' in chain '" << cif_chain_name <<
+ "' and _atom_site.auth_seq_id or _atom_site.pdbx_PDB_ins_code " <<
+ "are missing.");
throw IOException(this->FormatDiagnostic(STAR_DIAG_ERROR,
"Missing residue number information",
this->GetCurrentLinenum()));
@@ -569,6 +573,10 @@ void MMCifReader::ParseAndAddAtom(const std::vector<StringRef>& columns)
columns[indices_[PDBX_PDB_INS_CODE]].str();
}
} else {
+ LOG_WARNING("_atom_site.label_seq_id is invalid for " <<
+ "residue '" << res_name << "' in chain '" << cif_chain_name <<
+ "' and _atom_site.auth_seq_id or _atom_site.pdbx_PDB_ins_code " <<
+ "are missing.");
throw IOException(this->FormatDiagnostic(STAR_DIAG_ERROR,
"Missing residue number information",
this->GetCurrentLinenum()));
--
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