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
 project(
 	libcifpp
-	VERSION 7.0.1
+	VERSION 7.0.2
 	LANGUAGES CXX)
 
 list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake")

changelog

@@ -1,6 +1,11 @@
+Version 7.0.2
+- Fix in testing error_code results.
+
 Version 7.0.1
 - Various reconstruction fixes
 - category order in output fixed
+- better implementation of constructors for file, datablock and category
+- small optimisation in iterator
 
 Version 7.0.0
 - Renaming many methods and parameters to be more

include/cif++/category.hpp

@@ -182,7 +182,7 @@ class category
 
 	/// @brief Update the links in this category
 	/// @param db The enclosing @ref datablock
-	void update_links(datablock &db);
+	void update_links(const datablock &db);
 
 	/// @brief Return the global @ref validator for the data
 	/// @return The @ref validator or nullptr if not assigned
@@ -1263,6 +1263,7 @@ class category
 		{
 		}
 
+// TODO: NEED TO FIX THIS!
 		category *linked;
 		const link_validator *v;
 	};

include/cif++/item.hpp

@@ -117,7 +117,7 @@ class item
 		char buffer[32];
 
 		auto r = to_chars(buffer, buffer + sizeof(buffer) - 1, value, chars_format::fixed, precision);
-		if (r.ec != std::errc())
+		if ((bool)r.ec)
 			throw std::runtime_error("Could not format number");
 
 		m_value.assign(buffer, r.ptr - buffer);
@@ -136,7 +136,7 @@ class item
 		char buffer[32];
 
 		auto r = to_chars(buffer, buffer + sizeof(buffer) - 1, value, chars_format::general);
-		if (r.ec != std::errc())
+		if ((bool)r.ec)
 			throw std::runtime_error("Could not format number");
 
 		m_value.assign(buffer, r.ptr - buffer);
@@ -151,7 +151,7 @@ class item
 		char buffer[32];
 
 		auto r = std::to_chars(buffer, buffer + sizeof(buffer) - 1, value);
-		if (r.ec != std::errc())
+		if ((bool)r.ec)
 			throw std::runtime_error("Could not format number");
 
 		m_value.assign(buffer, r.ptr - buffer);
@@ -560,7 +560,7 @@ struct item_handle::item_value_as<T, std::enable_if_t<std::is_arithmetic_v<T> an
 
 			std::from_chars_result r = (b + 1 < e and *b == '+' and std::isdigit(b[1])) ? selected_charconv<value_type>::from_chars(b + 1, e, result) : selected_charconv<value_type>::from_chars(b, e, result);
 
-			if (r.ec != std::errc() or r.ptr != e)
+			if ((bool)r.ec or r.ptr != e)
 			{
 				result = {};
 				if (cif::VERBOSE)
@@ -595,7 +595,7 @@ struct item_handle::item_value_as<T, std::enable_if_t<std::is_arithmetic_v<T> an
 
 			std::from_chars_result r = (b + 1 < e and *b == '+' and std::isdigit(b[1])) ? selected_charconv<value_type>::from_chars(b + 1, e, v) : selected_charconv<value_type>::from_chars(b, e, v);
 
-			if (r.ec != std::errc() or r.ptr != e)
+			if ((bool)r.ec or r.ptr != e)
 			{
 				if (cif::VERBOSE)
 				{

include/cif++/model.hpp

@@ -741,7 +741,7 @@ class sugar : public residue
 	{
 		int result;
 		auto r = std::from_chars(m_auth_seq_id.data(), m_auth_seq_id.data() + m_auth_seq_id.length(), result);
-		if (r.ec != std::errc())
+		if ((bool)r.ec)
 			throw std::runtime_error("The auth_seq_id should be a number for a sugar");
 		return result;
 	}

include/cif++/text.hpp

@@ -383,7 +383,7 @@ std::from_chars_result from_chars(const char *first, const char *last, FloatType
 	int exponent = 0;
 	bool done = false;
 
-	while (not done and result.ec == std::errc())
+	while (not done and not (bool)result.ec)
 	{
 		char ch = result.ptr != last ? *result.ptr : 0;
 		++result.ptr;
@@ -467,7 +467,7 @@ std::from_chars_result from_chars(const char *first, const char *last, FloatType
 		}
 	}
 
-	if (result.ec == std::errc())
+	if (not (bool)result.ec)
 	{
 		long double v = f * vi * sign;
 		if (exponent != 0)

src/category.cpp

@@ -666,7 +666,7 @@ void category::set_validator(const validator *v, datablock &db)
 	update_links(db);
 }
 
-void category::update_links(datablock &db)
+void category::update_links(const datablock &db)
 {
 	m_child_links.clear();
 	m_parent_links.clear();
@@ -675,15 +675,15 @@ void category::update_links(datablock &db)
 	{
 		for (auto link : m_validator->get_links_for_parent(m_name))
 		{
-			auto childCat = db.get(link->m_child_category);
+			auto childCat = const_cast<category *>(db.get(link->m_child_category));
 			if (childCat == nullptr)
 				continue;
 			m_child_links.emplace_back(childCat, link);
 		}
 
 		for (auto link : m_validator->get_links_for_child(m_name))
 		{
-			auto parentCat = db.get(link->m_parent_category);
+			auto parentCat = const_cast<category *>(db.get(link->m_parent_category));
 			if (parentCat == nullptr)
 				continue;
 			m_parent_links.emplace_back(parentCat, link);
@@ -791,7 +791,7 @@ bool category::is_valid() const
 
 				iv->validate_value(vi->text(), ec);
 
-				if (ec != std::errc())
+				if ((bool)ec)
 				{
 					m_validator->report_error(ec, m_name, m_items[cix].m_name, false);
 					continue;