versie nummering op de schop

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@376 a1961a4f-ab94-4bcc-80e8-33b5a54de466

include/cif++/Cif++.h

@@ -216,6 +216,10 @@ class Datablock
 	void write(std::ostream& os, const vector<string>& order);
 	void write(std::ostream& os);
 	
+	// convenience function, add a line to the software category
+	void add_software(const std::string& name, const std::string& classification,
+		const std::string& versionNr, const std::string& versionDate);
+
   private:
 
 	std::list<Category>	mCategories;

src/Cif++.cpp

@@ -361,6 +361,21 @@ void Datablock::setValidator(Validator* v)
 		cat.setValidator(v);
 }
 
+void Datablock::add_software(const string& name, const string& classification, const string& versionNr, const string& versionDate)
+{
+	Category& cat = operator[]("software");
+	int ordNr = cat.size() + 1;
+	// TODO: should we check this ordinal number???
+	
+	cat.emplace({
+		{ "pdbx_ordinal", ordNr },
+		{ "name", name },
+		{ "version", versionNr },
+		{ "date", versionDate },
+		{ "classification", classification }
+	});
+}
+
 void Datablock::getTagOrder(vector<string>& tags) const
 {
 	for (auto& cat: *this)