Merge branch 'develop' of github.com:pdb-redo/libcifpp into develop

CMakeLists.txt

@@ -27,7 +27,7 @@ cmake_minimum_required(VERSION 3.16)
 # set the project name
 # set the project name
 project(
 project(
 	libcifpp
 	libcifpp
-	VERSION 7.0.0
+	VERSION 7.0.1
 	LANGUAGES CXX)
 	LANGUAGES CXX)
 
 
 list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake")
 list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake")

changelog

+Version 7.0.1
+- Various reconstruction fixes
+- category order in output fixed
+
 Version 7.0.0
 Version 7.0.0
 - Renaming many methods and parameters to be more
 - Renaming many methods and parameters to be more
   consistent with the mmCIF dictionaries.
   consistent with the mmCIF dictionaries.

src/pdb/reconstruct.cpp

@@ -519,7 +519,7 @@ void checkAtomAnisotropRecords(datablock &db)
 		{
 		{
 			if (cif::VERBOSE and std::exchange(warnReplaceTypeSymbol, false))
 			if (cif::VERBOSE and std::exchange(warnReplaceTypeSymbol, false))
 				std::clog << "Replacing type_symbol in atom_site_anisotrop record(s)\n";
 				std::clog << "Replacing type_symbol in atom_site_anisotrop record(s)\n";
-			row["type_symbol"] != parent["type_symbol"].text();
+			row["type_symbol"] = parent["type_symbol"].text();
 		}
 		}
 
 
 		if (row["pdbx_auth_alt_id"].empty())
 		if (row["pdbx_auth_alt_id"].empty())