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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#include <BALL/CONCEPT/classTest.h>
#include <BALLTestConfig.h>
///////////////////////////
#include <BALL/STRUCTURE/smartsMatcher.h>
#include <BALL/FORMAT/SDFile.h>
#include <BALL/KERNEL/system.h>
///////////////////////////
using namespace BALL;
using namespace std;
START_TEST(SmartsMatcher)
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
SmartsMatcher* sm = 0;
CHECK(SmartsMatcher())
sm = new SmartsMatcher();
RESULT
CHECK(~SmartsMatcher())
delete sm;
RESULT
CHECK(match(Molecule& mol, const String& smarts))
SDFile infile(BALL_TEST_DATA_PATH(SmartsMatcher_test.sdf));
System s;
infile >> s;
infile.close();
sm = new SmartsMatcher();
ifstream is(BALL_TEST_DATA_PATH(SmartsMatcher_test.txt));
String line;
while (line.getline(is))
{
String tmp(line);
tmp.trim();
vector<String> split;
tmp.split(split, " ");
vector<set<const Atom*> > matchings;
sm->match(matchings, *s.getMolecule(0), split[2]);
TEST_EQUAL(matchings.size(), split[0].toUnsignedInt())
}
delete sm;
RESULT
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
END_TEST
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