/**********************************************************************
invalid-smarts.cpp - Test SMARTS pattern parsing (rejecting invalid patterns)
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
Some portions Copyright (C) 2005-2006 Geoffrey R. Hutchison
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
GNU General Public License for more details.
***********************************************************************/
// used to set import/export for Cygwin DLLs
#ifdef WIN32
#define USING_OBDLL
#endif
#include <openbabel/babelconfig.h>
#include <fstream>
#include <openbabel/mol.h>
namespace OpenBabel
{
bool SafeOpen(std::ifstream &fs, const char *filename);
bool SafeOpen(std::ofstream &fs, const char *filename);
}
using namespace std;
using namespace OpenBabel;
#ifdef TESTDATADIR
string testdatadir = TESTDATADIR;
string invalid_file = testdatadir + "invalid-smarts.txt";
string random1_file = testdatadir + "random";
string random2_file = testdatadir + "random2";
string random3_file = testdatadir + "random3";
#else
string invalid_file = "files/invalid-smarts.txt";
string random1_file = "files/random";
string random2_file = "files/random2";
string random3_file = "files/random3";
#endif
void GenerateFormalChargeReference();
int main(int argc,char *argv[])
{
// turn off slow sync with C-style output (we don't use it anyway).
std::ios::sync_with_stdio(false);
if (argc != 1)
{
cout << "Usage: invalid-smarts" << endl;
cout << " Tests Open Babel SMARTS parsing - rejecting invalid patterns."
<< endl;
return 0;
}
cout << "# Testing invalid SMARTS parsing..." << endl;
// make sure to kill off all error reporting
obErrorLog.StopLogging();
unsigned int currentTest = 0;
OBSmartsPattern smarts;
string pattern, buffer;
std::ifstream mifs;
if (!SafeOpen(mifs, invalid_file.c_str()))
{
cout << "Bail out! Cannot read file " << invalid_file << endl;
return -1; // test failed
}
while (getline(mifs, pattern))
{
// each line is a potential test pattern
if (smarts.Init(pattern))
cout << "not ok " << ++currentTest << " # pattern was parsed "
<< " but should have been rejected\n";
else
cout << "ok " << ++currentTest << "\n";
}
mifs.close();
mifs.clear();
// random file#1
if (!SafeOpen(mifs, random1_file.c_str()))
{
cout << "Bail out! Cannot read file " << random1_file << endl;
return -1; // test failed
}
pattern.clear();
while (getline(mifs, buffer))
pattern += buffer;
if (smarts.Init(pattern))
cout << "not ok " << ++currentTest << " # random data #1 was parsed "
<< " but should have been rejected\n";
else
cout << "ok " << ++currentTest << " # random data #1 \n";
cout << "# read " << pattern.size() << "\n";
mifs.close();
mifs.clear();
// random2
if (!SafeOpen(mifs, random2_file.c_str()))
{
cout << "Bail out! Cannot read file " << random2_file << endl;
return -1; // test failed
}
pattern.clear();
while (getline(mifs, buffer))
pattern += buffer;
if (smarts.Init(pattern))
cout << "not ok " << ++currentTest << " # random data #2 was parsed "
<< " but should have been rejected\n";
else
cout << "ok " << ++currentTest << " # random data #2 \n";
cout << "# read " << pattern.size() << "\n";
mifs.close();
mifs.clear();
// random3
if (!SafeOpen(mifs, random3_file.c_str()))
{
cout << "Bail out! Cannot read file " << random3_file << endl;
return -1; // test failed
}
pattern.clear();
while (getline(mifs, buffer))
pattern += buffer;
if (smarts.Init(pattern))
cout << "not ok " << ++currentTest << " # random data #3 was parsed "
<< " but should have been rejected\n";
else
cout << "ok " << ++currentTest << " # random data #3 \n";
cout << "# read " << pattern.size() << "\n";
// return number of tests run
cout << "1.." << currentTest << endl;
// Passed tests
return 0;
}
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