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53 lines
1.0 KiB
C++
53 lines
1.0 KiB
C++
// $Id$
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//
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// Copyright (C) 2001-2006 Randal Henne, Greg Landrum and Rational Discovery LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#include <iostream>
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#include "SmilesParse.h"
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#include "SmilesWrite.h"
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#include <RDGeneral/RDLog.h>
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using namespace RDKit;
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using namespace std;
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typedef ROMol Mol;
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int
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main(int argc, char *argv[])
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{
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RDLog::InitLogs();
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int i=0;
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Mol *mol;
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if(argc < 2){
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return 1;
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} else {
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string sma;
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bool debugParse = false;
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int startP=1;
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if(argc>2){
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string arg(argv[1]);
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if(arg=="-d"){
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debugParse = true;
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startP = 2;
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}
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}
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while(startP<argc){
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sma = argv[startP++];
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std::cout << "In SMARTS: " << sma << std::endl;
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mol = SmartsToMol(sma,debugParse);
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if(!mol){
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BOOST_LOG(rdErrorLog) << "FAILED PARSE: " << sma << std::endl;
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}
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}
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}
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return 1;
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}
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