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/**********************************************************************
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.org/>
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>
#include <openbabel/obutil.h>
using namespace std;
using namespace OpenBabel;
#ifdef TESTDATADIR
string htestdatadir = TESTDATADIR;
string hinvalid_file = htestdatadir + "invalid-smarts.txt";
string hrandom1_file = htestdatadir + "random";
string hrandom2_file = htestdatadir + "random2";
string hrandom3_file = htestdatadir + "random3";
#else
string hinvalid_file = "files/invalid-smarts.txt";
string hrandom1_file = "files/random";
string hrandom2_file = "files/random2";
string hrandom3_file = "files/random3";
#endif
int invalidsmarts(int argc, char* argv[])
{
int defaultchoice = 1;
int choice = defaultchoice;
if (argc > 1) {
if(sscanf(argv[1], "%d", &choice) != 1) {
printf("Couldn't parse that input as a number\n");
return -1;
}
}
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, hinvalid_file.c_str()))
{
cout << "Bail out! Cannot read file " << hinvalid_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, hrandom1_file.c_str()))
{
cout << "Bail out! Cannot read file " << hrandom1_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, hrandom2_file.c_str()))
{
cout << "Bail out! Cannot read file " << hrandom2_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, hrandom3_file.c_str()))
{
cout << "Bail out! Cannot read file " << hrandom3_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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