From c20d0d2a308c8ad9c8a6316872062c86c536726f Mon Sep 17 00:00:00 2001
From: "Maarten L. Hekkelman" <maarten@hekkelman.com>
Date: Tue, 12 Aug 2025 16:45:19 +0200
Subject: [PATCH] lightweight fixup

---
 changelog             |  2 ++
 include/cif++/pdb.hpp | 21 +++++++++++++++++++++
 2 files changed, 23 insertions(+)

diff --git a/changelog b/changelog
index c039305..524c92e 100644
--- a/changelog
+++ b/changelog
@@ -4,6 +4,8 @@ Version 9.0.0
   using the correct mapping between atom_site and residues.
 - _atom_site.auth_alt_id does not exist, it should be
   _atom_site.pdbx_auth_alt_id of course.
+- Added a more lightweight fixup for mmcif_pdbx files
+  that lack certain categories.
 
 Version 8.0.1
 - Fix cif::mm::structure::cleanup_empty_categories, removed too much
diff --git a/include/cif++/pdb.hpp b/include/cif++/pdb.hpp
index 89ceec1..29f73b4 100644
--- a/include/cif++/pdb.hpp
+++ b/include/cif++/pdb.hpp
@@ -104,6 +104,27 @@ inline void write(const std::filesystem::path &p, const file &f)
 
 // --------------------------------------------------------------------
 
+/**
+ * @brief Quickly fix a PDB file that lacks some often needed categories
+ * 
+ * This differs from reconstruct_pdbx which does a much more thorough job
+ * 
+ * \param pdbx_file The cif::file that hopefully contains some valid data
+ */
+
+void fixup_pdbx(file &pdbx_file);
+
+/**
+ * @brief Quickly fix a PDB file that lacks some often needed categories
+ * 
+ * This differs from reconstruct_pdbx which does a much more thorough job
+ * 
+ * \param pdbx_file The cif::file that hopefully contains some valid data
+ * \param v The validator to use
+ */
+
+void fixup_pdbx(file &pdbx_file, const validator &v);
+
 /** \brief Reconstruct all missing categories for an assumed PDBx file.
  *
  * Some people believe that simply dumping some atom records is enough.