Fix residue test to allow "UNL" as unknown ligand.

test/residue.cpp

@@ -2,14 +2,14 @@
 residue.cpp - Unit tests for Open Babel OBResidue class
 
 Copyright (C) 2005-2006 Geoffrey R. Hutchison
- 
+
 This file is part of the Open Babel project.
 For more information, see <http://openbabel.org/>
 
 This program is free software; you can redistribute it and/or modify
 it under the terms of the GNU General Public License as published by
 the Free Software Foundation version 2 of the License.
- 
+
 This program is distributed in the hope that it will be useful,
 but WITHOUT ANY WARRANTY; without even the implied warranty of
 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
@@ -45,7 +45,7 @@ void CheckValidDipeptide(OBConversion &conv,
 int residue(int argc, char* argv[])
 {
   int defaultchoice = 1;
-  
+
   int choice = defaultchoice;
 
   if (argc > 1) {
@@ -79,7 +79,7 @@ int residue(int argc, char* argv[])
   OBConversion conv;
   OBMol mol;
   OBFormat *inFormat = conv.FindFormat("SMI");
-  
+
   conv.SetInFormat(inFormat);
   conv.ReadString(&mol, loopTest1);
   chainsparser.PerceiveChains(mol);
@@ -155,7 +155,7 @@ int residue(int argc, char* argv[])
   CheckValidDipeptide(conv, ala_val, ++testCount);
   static const string cys_leu("NC(CS)C(=O)NC(CC(C)C)C(=O)O");
   CheckValidDipeptide(conv, cys_leu, ++testCount);
- 
+
   // the number of tests for "prove"
   cout << "1.." << testCount << "\n";
 
@@ -193,13 +193,13 @@ void CheckInvalidResidue(OBConversion &conv,
                          unsigned int testCount)
 {
   OBMol mol;
-  
+
   mol.Clear();
   conv.ReadString(&mol, test);
   chainsparser.PerceiveChains(mol);
   if (mol.NumResidues() != 0) {
     OBResidue *res = mol.GetResidue(0);
-    if (res->GetName() == "LIG") { // ligand, not residue
+    if (res->GetName() == "LIG" || res->GetName() == "UNL" ) { // ligand, not residue
       cout << "ok " << testCount << " # found ligand, not residue "
            << test << '\n';
     } else {