backup debuggen refinement

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@316 a1961a4f-ab94-4bcc-80e8-33b5a54de466

include/cif++/Structure.h

@@ -192,6 +192,9 @@ class Residue
 	// return a human readable PDB-like auth id (chain+seqnr+iCode)
 	// return a human readable PDB-like auth id (chain+seqnr+iCode)
 	std::string			authID() const;
 	std::string			authID() const;
 
 
+	// similar for mmCIF space
+	std::string			labelID() const;
+	
 	// Is this residue a single entity?
 	// Is this residue a single entity?
 	bool isEntity() const;
 	bool isEntity() const;
 	
 	

src/PDB2Cif.cpp

@@ -1212,6 +1212,7 @@ void PDBFileParser::Match(const string& expected, bool throwIfMissing)
 	{
 	{
 		if (throwIfMissing)
 		if (throwIfMissing)
 			throw runtime_error("Expected record " + expected + " but found " + mRec->mName);
 			throw runtime_error("Expected record " + expected + " but found " + mRec->mName);
+		if (VERBOSE)
 			cerr << "Expected record " + expected + " but found " + mRec->mName << endl;
 			cerr << "Expected record " + expected + " but found " + mRec->mName << endl;
 	}
 	}
 }
 }

src/Structure.cpp

@@ -711,6 +711,11 @@ string Residue::authID() const
 	return result;
 	return result;
 }
 }
 
 
+string Residue::labelID() const
+{
+	return mAsymID + to_string(mSeqID);
+}
+
 // --------------------------------------------------------------------
 // --------------------------------------------------------------------
 // monomer
 // monomer