loading extra compound info changed

cif::file constructors

include/cif++/file.hpp

@@ -100,10 +100,22 @@ class file : public std::list<datablock>
 	}
 	}
 
 
 	/** @cond */
 	/** @cond */
-	file(const file &) = default;
-	file(file &&) = default;
-	file &operator=(const file &) = default;
-	file &operator=(file &&) = default;
+	file(const file &rhs)
+		: std::list<datablock>(rhs)
+	{
+	}
+
+	file(file &&rhs)
+	{
+		this->swap(rhs);
+	}
+
+	file &operator=(file f)
+	{
+		this->swap(f);
+		return *this;
+	}
+
 	/** @endcond */
 	/** @endcond */
 
 
 	/**
 	/**

include/cif++/iterator.hpp

@@ -49,7 +49,7 @@ namespace cif
 /**
 /**
  * @brief Implementation of an iterator that can return
  * @brief Implementation of an iterator that can return
  * multiple values in a tuple. Of course, that tuple can
  * multiple values in a tuple. Of course, that tuple can
- * then used in structured binding to receive the values
+ * then be used in structured binding to receive the values
  * in a for loop e.g.
  * in a for loop e.g.
  *
  *
  * @tparam Category The category for this iterator
  * @tparam Category The category for this iterator

src/compound.cpp

@@ -550,7 +550,7 @@ class local_compound_factory_impl : public compound_factory_impl
 	compound *create(const std::string &id) override;
 	compound *create(const std::string &id) override;
 
 
   private:
   private:
-	const cif::file &m_local_file;
+	cif::file m_local_file;
 };
 };
 
 
 compound *local_compound_factory_impl::create(const std::string &id)
 compound *local_compound_factory_impl::create(const std::string &id)
@@ -559,11 +559,19 @@ compound *local_compound_factory_impl::create(const std::string &id)
 
 
 	for (auto &db : m_local_file)
 	for (auto &db : m_local_file)
 	{
 	{
-		if (db.name() == "comp_" + id)
+		if (db.name() == id)
 		{
 		{
 			cif::datablock db_copy(db);
 			cif::datablock db_copy(db);
 
 
-			result = new compound(db_copy, 1);
+			try
+			{
+				result = new compound(db_copy, 1);
+			}
+			catch (const std::exception &ex)
+			{
+				std::throw_with_nested(std::runtime_error("Error loading compound " + id));
+			}
+
 
 
 			std::shared_lock lock(mMutex);
 			std::shared_lock lock(mMutex);
 			m_compounds.push_back(result);
 			m_compounds.push_back(result);