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/**********************************************************************
smartsparse.cpp - Test SMARTS parsing for valid patterns
This file is part of the Open Babel project.
For more information, see <http://openbabel.org/>
Copyright (C) 2010 by 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/parsmart.h>
using namespace std;
using namespace OpenBabel;
#ifdef TESTDATADIR
string ntestdatadir = TESTDATADIR;
string nsmarts_file = ntestdatadir + "validsmarts.txt";
#else
string nsmarts_file = "files/validsmarts.txt";
#endif
int smartsparse(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 SMARTS Parsing... \n";
std::ifstream ifs;
if (!SafeOpen(ifs, nsmarts_file.c_str()))
{
cout << "Bail out! Cannot read " << nsmarts_file << endl;
return -1; // test failed
}
//read in the SMARTS test patterns
char buffer[BUFF_SIZE];
OBSmartsPattern sp;
unsigned int patterns = 0;
for (;ifs.getline(buffer,BUFF_SIZE);)
{
if (buffer[0] == '#') // skip comment line
continue;
if (sp.Init(buffer))
cout << "ok " << ++patterns << endl;
else
cout << "not ok " << ++patterns << " failed on " << buffer << endl;
}
ifs.close();
// output the number of tests run
cout << "1.." << patterns << endl;
// Passed Test
return 0;
}
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