unit test

src/Cif++.cpp

@@ -238,6 +238,9 @@ ItemReference& ItemReference::operator=(const std::string& value)
 	if (mConst)
 	if (mConst)
 		throw std::logic_error("Attempt to write to a constant row");
 		throw std::logic_error("Attempt to write to a constant row");
 
 
+	if (mRow.mData == nullptr)
+		throw std::logic_error("Attempt to write to an uninitialized row");
+
 	mRow.assign(mName, value, false);
 	mRow.assign(mName, value, false);
 	return *this;
 	return *this;
 }
 }
@@ -1473,7 +1476,8 @@ template<class Iter>
 std::tuple<Row,bool> Category::emplace(Iter b, Iter e)
 std::tuple<Row,bool> Category::emplace(Iter b, Iter e)
 {
 {
 	// First, make sure all mandatory fields are supplied
 	// First, make sure all mandatory fields are supplied
-	std::tuple<Row,bool> result = std::make_tuple(Row(), true);
+	Row result;
+	bool isNew = true;
 
 
 	if (mCatValidator != nullptr and b != e)
 	if (mCatValidator != nullptr and b != e)
 	{
 	{
@@ -1516,15 +1520,24 @@ std::tuple<Row,bool> Category::emplace(Iter b, Iter e)
 			{
 			{
 				if (VERBOSE > 1)
 				if (VERBOSE > 1)
 					std::cerr << "Not inserting new record in " << mName << " (duplicate Key)" << std::endl;
 					std::cerr << "Not inserting new record in " << mName << " (duplicate Key)" << std::endl;
-				result = std::make_tuple(Row(test), false);
+				result = test;
+				isNew = false;
 			}
 			}
 		}
 		}
 	}
 	}
-	
-	if (std::get<1>(result))
+
+	if (isNew)
 	{
 	{
 		auto nr = new ItemRow{nullptr, this, nullptr};
 		auto nr = new ItemRow{nullptr, this, nullptr};
 
 
+		Row r(nr);
+
+		for (auto v = b; v != e; ++v)
+			r.assign(*v, true);
+		
+		// if (isOrphan(r))
+		// 	throw std::runtime_error("Cannot insert row in category " + mName + " since it would be an orphan");
+
 		if (mHead == nullptr)
 		if (mHead == nullptr)
 		{
 		{
 			assert(mTail == nullptr);
 			assert(mTail == nullptr);
@@ -1538,18 +1551,13 @@ std::tuple<Row,bool> Category::emplace(Iter b, Iter e)
 			mTail = nr;
 			mTail = nr;
 		}
 		}
 
 
-		Row r(nr);
-
-		for (auto v = b; v != e; ++v)
-			r.assign(*v, true);
-		
-		std::get<0>(result) = r;
+		result = r;
 
 
 		if (mIndex != nullptr)
 		if (mIndex != nullptr)
 			mIndex->insert(nr);
 			mIndex->insert(nr);
 	}
 	}
 	
 	
-	return result;
+	return { result, isNew };
 }
 }
 
 
 std::tuple<Row,bool> Category::emplace(Row r)
 std::tuple<Row,bool> Category::emplace(Row r)

src/PDB2Cif.cpp

@@ -2608,8 +2608,7 @@ void PDBFileParser::ParseRemarks()
 		}
 		}
 		catch (const std::exception& ex)
 		catch (const std::exception& ex)
 		{
 		{
-			std::cerr << "Error parsing REMARK " << remarkNr << std::endl;
-			throw;
+			std::throw_with_nested(std::runtime_error("Error parsing REMARK " + std::to_string(remarkNr)));
 		}
 		}
 	}
 	}
 
 

test/unit-test.cpp

@@ -27,6 +27,8 @@
 #define BOOST_TEST_MODULE LibCifPP_Test
 #define BOOST_TEST_MODULE LibCifPP_Test
 #include <boost/test/included/unit_test.hpp>
 #include <boost/test/included/unit_test.hpp>
 
 
+#include <stdexcept>
+
 // #include "cif++/DistanceMap.hpp"
 // #include "cif++/DistanceMap.hpp"
 #include "cif++/Cif++.hpp"
 #include "cif++/Cif++.hpp"
 
 
@@ -202,7 +204,7 @@ save__cat_2.id
     _item.mandatory_code      yes
     _item.mandatory_code      yes
     _item_aliases.dictionary  cif_core.dic
     _item_aliases.dictionary  cif_core.dic
     _item_aliases.version     2.0.1
     _item_aliases.version     2.0.1
-    _item_type.code           code
+    _item_type.code           int
     save_
     save_
 
 
 save__cat_2.parent_id
 save__cat_2.parent_id
@@ -279,4 +281,17 @@ _cat_2.desc
     BOOST_CHECK(cat1.size() == 2);
     BOOST_CHECK(cat1.size() == 2);
     BOOST_CHECK(cat2.size() == 1);
     BOOST_CHECK(cat2.size() == 1);
 
 
+    // BOOST_CHECK_THROW(cat2.emplace({
+    //     { "id", 4 },
+    //     { "parent_id", 4 },
+    //     { "desc", "moet fout gaan" }
+    // }), std::exception);
+
+    BOOST_CHECK_THROW(cat2.emplace({
+        { "id", "vijf" },   // <- invalid value
+        { "parent_id", 2 },
+        { "desc", "moet fout gaan" }
+    }), std::exception);
+
+
 }
 }
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