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90 lines
2.2 KiB
C++
90 lines
2.2 KiB
C++
/**********************************************************************
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smartsparse.cpp - Test SMARTS parsing for valid patterns
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This file is part of the Open Babel project.
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For more information, see <http://openbabel.org/>
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Copyright (C) 2010 by Geoffrey R. Hutchison
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This program is free software; you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation version 2 of the License.
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This program is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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***********************************************************************/
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// used to set import/export for Cygwin DLLs
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#ifdef WIN32
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#define USING_OBDLL
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#endif
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#include <openbabel/babelconfig.h>
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#include <fstream>
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#include <iostream>
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#include <openbabel/parsmart.h>
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#include <openbabel/obutil.h>
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#ifndef BUFF_SIZE
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#define BUFF_SIZE 32768
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#endif
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using namespace std;
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using namespace OpenBabel;
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#ifdef TESTDATADIR
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string ntestdatadir = TESTDATADIR;
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string nsmarts_file = ntestdatadir + "validsmarts.txt";
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#else
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string nsmarts_file = "files/validsmarts.txt";
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#endif
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int smartsparse(int argc, char* argv[])
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{
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int defaultchoice = 1;
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int choice = defaultchoice;
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if (argc > 1) {
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if(sscanf(argv[1], "%d", &choice) != 1) {
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printf("Couldn't parse that input as a number\n");
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return -1;
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}
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}
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cout << "# Testing SMARTS Parsing... \n";
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std::ifstream ifs;
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if (!SafeOpen(ifs, nsmarts_file.c_str()))
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{
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cout << "Bail out! Cannot read " << nsmarts_file << endl;
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return -1; // test failed
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}
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//read in the SMARTS test patterns
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char buffer[BUFF_SIZE];
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OBSmartsPattern sp;
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unsigned int patterns = 0;
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for (;ifs.getline(buffer,BUFF_SIZE);)
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{
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if (buffer[0] == '#') // skip comment line
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continue;
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if (sp.Init(buffer))
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cout << "ok " << ++patterns << endl;
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else
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cout << "not ok " << ++patterns << " failed on " << buffer << endl;
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}
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ifs.close();
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// output the number of tests run
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cout << "1.." << patterns << endl;
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// Passed Test
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return 0;
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}
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