vector ObjTitle; // 0 ObjTitle.push_back("Gaussian file"); // 1 ObjTitle.push_back("ChemDraw File"); // 2 ObjTitle.push_back("XML ChemDraw File"); // 3 ObjTitle.push_back("MOL file"); // 4 ObjTitle.push_back("SDF file"); // 5 ObjTitle.push_back("MOL file"); // 6 ObjTitle.push_back("2D SDF file"); // 7 ObjTitle.push_back("3D MOL file"); // 8 ObjTitle.push_back("3D SDF file"); // 9 ObjTitle.push_back("NMReDATA SDF file"); // 10 ObjTitle.push_back("Bruker 1D NMR experiment (FID only / no spectrum)"); // 11 ObjTitle.push_back("Bruker Full 1D NMR spectrum"); // 12 ObjTitle.push_back("Bruker 1D spectrum (no FID)"); // 13 ObjTitle.push_back("Bruker 1D 1H spectrum"); // 14 ObjTitle.push_back("Bruker 1D 13C spectrum (general)"); // 15 ObjTitle.push_back("Bruker 1D 19F spectrum (general)"); // 16 ObjTitle.push_back("Bruker 1D 31P spectrum (general)"); // 17 ObjTitle.push_back("Bruker 1D 2H spectrum (general)"); // 18 ObjTitle.push_back("Bruker 1D DEPT spectrum"); // 19 ObjTitle.push_back("Bruker 1D 13C spectrum"); // 20 ObjTitle.push_back("Bruker 2D NMR experiment (SER only / no spectrum)"); // 21 ObjTitle.push_back("Bruker Full 2D NMR spectrum"); // 22 ObjTitle.push_back("Bruker 2D spectrum only (no FID)"); // 23 ObjTitle.push_back("Bruker Full 1H detected 2D NMR spectrum"); // 24 ObjTitle.push_back("Bruker Full 1H-1H 2D NMR spectrum"); // 25 ObjTitle.push_back("Bruker Full COSY 2D NMR spectrum"); // 26 ObjTitle.push_back("Bruker Full NOESY 2D NMR spectrum"); // 27 ObjTitle.push_back("Bruker Full 1H-1H 2D NMR spectrum"); // 28 ObjTitle.push_back("Bruker Full HSQC 2D NMR spectrum"); // 29 ObjTitle.push_back("Bruker Full HMBC 2D NMR spectrum"); // 30 vector Level; // 0 Level.push_back(100); // 1 Level.push_back(10); // 2 Level.push_back(10); // 3 Level.push_back(10); // 4 Level.push_back(10); // 5 Level.push_back(20); // 6 Level.push_back(20); // 7 Level.push_back(20); // 8 Level.push_back(20); // 9 Level.push_back(20); // 10 Level.push_back(10); // 11 Level.push_back(20); // 12 Level.push_back(10); // 13 Level.push_back(30); // 14 Level.push_back(30); // 15 Level.push_back(30); // 16 Level.push_back(30); // 17 Level.push_back(30); // 18 Level.push_back(40); // 19 Level.push_back(40); // 20 Level.push_back(10); // 21 Level.push_back(20); // 22 Level.push_back(10); // 23 Level.push_back(30); // 24 Level.push_back(40); // 25 Level.push_back(50); // 26 Level.push_back(50); // 27 Level.push_back(40); // 28 Level.push_back(50); // 29 Level.push_back(50); // 30 vector BasicCathegory; // 0 BasicCathegory.push_back("ChemicalStructure"); // 1 BasicCathegory.push_back("ChemicalStructure"); // 2 BasicCathegory.push_back("ChemicalStructure"); // 3 BasicCathegory.push_back("ChemicalStructure"); // 4 BasicCathegory.push_back("ChemicalStructure"); // 5 BasicCathegory.push_back("ChemicalStructure"); // 6 BasicCathegory.push_back("ChemicalStructure"); // 7 BasicCathegory.push_back("ChemicalStructure"); // 8 BasicCathegory.push_back("ChemicalStructure"); // 9 BasicCathegory.push_back("ChemicalProperty"); // 10 BasicCathegory.push_back("Spectroscopy"); // 11 BasicCathegory.push_back("Spectroscopy"); // 12 BasicCathegory.push_back("Spectroscopy"); // 13 BasicCathegory.push_back("Spectroscopy"); // 14 BasicCathegory.push_back("Spectroscopy"); // 15 BasicCathegory.push_back("Spectroscopy"); // 16 BasicCathegory.push_back("Spectroscopy"); // 17 BasicCathegory.push_back("Spectroscopy"); // 18 BasicCathegory.push_back("Spectroscopy"); // 19 BasicCathegory.push_back("Spectroscopy"); // 20 BasicCathegory.push_back("Spectroscopy"); // 21 BasicCathegory.push_back("Spectroscopy"); // 22 BasicCathegory.push_back("Spectroscopy"); // 23 BasicCathegory.push_back("Spectroscopy"); // 24 BasicCathegory.push_back("Spectroscopy"); // 25 BasicCathegory.push_back("Spectroscopy"); // 26 BasicCathegory.push_back("Spectroscopy"); // 27 BasicCathegory.push_back("Spectroscopy"); // 28 BasicCathegory.push_back("Spectroscopy"); // 29 BasicCathegory.push_back("Spectroscopy"); // 30 vector Type; // 0 Type.push_back("GaussianStructure"); // 1 Type.push_back("ChemDraw"); // 2 Type.push_back("ChemDraw"); // 3 Type.push_back("mol structure"); // 4 Type.push_back("SDF structure"); // 5 Type.push_back("mol structure (2D)"); // 6 Type.push_back("SDF structure (2D)"); // 7 Type.push_back("mol structure (3D)"); // 8 Type.push_back("SDF structure (3D)"); // 9 Type.push_back("NMReDATA"); // 10 Type.push_back("NMR"); // 11 Type.push_back("NMR"); // 12 Type.push_back("NMR"); // 13 Type.push_back("NMR"); // 14 Type.push_back("NMR"); // 15 Type.push_back("NMR"); // 16 Type.push_back("NMR"); // 17 Type.push_back("NMR"); // 18 Type.push_back("NMR"); // 19 Type.push_back("NMR"); // 20 Type.push_back("NMR"); // 21 Type.push_back("NMR"); // 22 Type.push_back("NMR"); // 23 Type.push_back("NMR"); // 24 Type.push_back("NMR"); // 25 Type.push_back("NMR"); // 26 Type.push_back("NMR"); // 27 Type.push_back("NMR"); // 28 Type.push_back("NMR"); // 29 Type.push_back("NMR"); // 30 vector SubType; // 0 SubType.push_back(""); // 1 SubType.push_back(""); // 2 SubType.push_back(""); // 3 SubType.push_back(""); // 4 SubType.push_back(""); // 5 SubType.push_back(""); // 6 SubType.push_back(""); // 7 SubType.push_back(""); // 8 SubType.push_back(""); // 9 SubType.push_back(""); // 10 SubType.push_back("1DNMR"); // 11 SubType.push_back("1DNMR"); // 12 SubType.push_back("1DNMR"); // 13 SubType.push_back("1DNMR"); // 14 SubType.push_back("1DNMR"); // 15 SubType.push_back("1DNMR"); // 16 SubType.push_back("1DNMR"); // 17 SubType.push_back("1DNMR"); // 18 SubType.push_back("1DNMR"); // 19 SubType.push_back("1DNMR"); // 20 SubType.push_back("2DNMR"); // 21 SubType.push_back("2DNMR"); // 22 SubType.push_back("2DNMR"); // 23 SubType.push_back("2DNMR"); // 24 SubType.push_back("2DNMR"); // 25 SubType.push_back("2DNMR"); // 26 SubType.push_back("2DNMR"); // 27 SubType.push_back("2DNMR"); // 28 SubType.push_back("2DNMR"); // 29 SubType.push_back("2DNMR"); // 30 vector NMR_detectedIsotope; // 0 NMR_detectedIsotope.push_back(""); // 1 NMR_detectedIsotope.push_back(""); // 2 NMR_detectedIsotope.push_back(""); // 3 NMR_detectedIsotope.push_back(""); // 4 NMR_detectedIsotope.push_back(""); // 5 NMR_detectedIsotope.push_back(""); // 6 NMR_detectedIsotope.push_back(""); // 7 NMR_detectedIsotope.push_back(""); // 8 NMR_detectedIsotope.push_back(""); // 9 NMR_detectedIsotope.push_back(""); // 10 NMR_detectedIsotope.push_back(""); // 11 NMR_detectedIsotope.push_back(""); // 12 NMR_detectedIsotope.push_back(""); // 13 NMR_detectedIsotope.push_back("1H"); // 14 NMR_detectedIsotope.push_back("13C"); // 15 NMR_detectedIsotope.push_back("19F"); // 16 NMR_detectedIsotope.push_back("31P"); // 17 NMR_detectedIsotope.push_back("2H"); // 18 NMR_detectedIsotope.push_back("13C"); // 19 NMR_detectedIsotope.push_back("13C"); // 20 NMR_detectedIsotope.push_back(""); // 21 NMR_detectedIsotope.push_back(""); // 22 NMR_detectedIsotope.push_back(""); // 23 NMR_detectedIsotope.push_back("1H"); // 24 NMR_detectedIsotope.push_back("1H"); // 25 NMR_detectedIsotope.push_back("1H"); // 26 NMR_detectedIsotope.push_back("1H"); // 27 NMR_detectedIsotope.push_back("1H"); // 28 NMR_detectedIsotope.push_back("1H"); // 29 NMR_detectedIsotope.push_back("1H"); // 30 vector NMR_2DNMR_detectedIsotope; // 0 NMR_2DNMR_detectedIsotope.push_back(""); // 1 NMR_2DNMR_detectedIsotope.push_back(""); // 2 NMR_2DNMR_detectedIsotope.push_back(""); // 3 NMR_2DNMR_detectedIsotope.push_back(""); // 4 NMR_2DNMR_detectedIsotope.push_back(""); // 5 NMR_2DNMR_detectedIsotope.push_back(""); // 6 NMR_2DNMR_detectedIsotope.push_back(""); // 7 NMR_2DNMR_detectedIsotope.push_back(""); // 8 NMR_2DNMR_detectedIsotope.push_back(""); // 9 NMR_2DNMR_detectedIsotope.push_back(""); // 10 NMR_2DNMR_detectedIsotope.push_back(""); // 11 NMR_2DNMR_detectedIsotope.push_back(""); // 12 NMR_2DNMR_detectedIsotope.push_back(""); // 13 NMR_2DNMR_detectedIsotope.push_back(""); // 14 NMR_2DNMR_detectedIsotope.push_back(""); // 15 NMR_2DNMR_detectedIsotope.push_back(""); // 16 NMR_2DNMR_detectedIsotope.push_back(""); // 17 NMR_2DNMR_detectedIsotope.push_back(""); // 18 NMR_2DNMR_detectedIsotope.push_back(""); // 19 NMR_2DNMR_detectedIsotope.push_back(""); // 20 NMR_2DNMR_detectedIsotope.push_back(""); // 21 NMR_2DNMR_detectedIsotope.push_back(""); // 22 NMR_2DNMR_detectedIsotope.push_back(""); // 23 NMR_2DNMR_detectedIsotope.push_back("?"); // 24 NMR_2DNMR_detectedIsotope.push_back("1H"); // 25 NMR_2DNMR_detectedIsotope.push_back("1H"); // 26 NMR_2DNMR_detectedIsotope.push_back("1H"); // 27 NMR_2DNMR_detectedIsotope.push_back("13C"); // 28 NMR_2DNMR_detectedIsotope.push_back("13C"); // 29 NMR_2DNMR_detectedIsotope.push_back("13C"); // 30 vector specifyerForProperties; // 0 specifyerForProperties.push_back(""); // 1 specifyerForProperties.push_back(""); // 2 specifyerForProperties.push_back(""); // 3 specifyerForProperties.push_back(""); // 4 specifyerForProperties.push_back(""); // 5 specifyerForProperties.push_back("struct2D"); // 6 specifyerForProperties.push_back("struct2D"); // 7 specifyerForProperties.push_back("struct3D"); // 8 specifyerForProperties.push_back("struct3D"); // 9 specifyerForProperties.push_back(""); // 10 specifyerForProperties.push_back("FID"); // 11 specifyerForProperties.push_back("spectrum1D"); // 12 specifyerForProperties.push_back("spectrum1D"); // 13 specifyerForProperties.push_back("spectrum1D"); // 14 specifyerForProperties.push_back("spectrum1D"); // 15 specifyerForProperties.push_back("spectrum1D"); // 16 specifyerForProperties.push_back("spectrum1D"); // 17 specifyerForProperties.push_back("spectrum1D"); // 18 specifyerForProperties.push_back("spectrum1D"); // 19 specifyerForProperties.push_back("spectrum1D"); // 20 specifyerForProperties.push_back("SeriesFID"); // 21 specifyerForProperties.push_back("spectrum2D"); // 22 specifyerForProperties.push_back("spectrum2D"); // 23 specifyerForProperties.push_back("spectrum2D"); // 24 specifyerForProperties.push_back("spectrum2D"); // 25 specifyerForProperties.push_back("spectrum2D"); // 26 specifyerForProperties.push_back("spectrum2D"); // 27 specifyerForProperties.push_back("spectrum2D"); // 28 specifyerForProperties.push_back("spectrum2D"); // 29 specifyerForProperties.push_back("spectrum2D"); // 30 vector functionsShouldBeAvailable1; // 0 functionsShouldBeAvailable1.push_back(""); // 1 functionsShouldBeAvailable1.push_back(""); // 2 functionsShouldBeAvailable1.push_back(""); // 3 functionsShouldBeAvailable1.push_back(""); // 4 functionsShouldBeAvailable1.push_back(""); // 5 functionsShouldBeAvailable1.push_back(""); // 6 functionsShouldBeAvailable1.push_back(""); // 7 functionsShouldBeAvailable1.push_back(""); // 8 functionsShouldBeAvailable1.push_back(""); // 9 functionsShouldBeAvailable1.push_back(""); // 10 functionsShouldBeAvailable1.push_back(""); // 11 functionsShouldBeAvailable1.push_back(""); // 12 functionsShouldBeAvailable1.push_back(""); // 13 functionsShouldBeAvailable1.push_back(""); // 14 functionsShouldBeAvailable1.push_back(""); // 15 functionsShouldBeAvailable1.push_back(""); // 16 functionsShouldBeAvailable1.push_back(""); // 17 functionsShouldBeAvailable1.push_back(""); // 18 functionsShouldBeAvailable1.push_back(""); // 19 functionsShouldBeAvailable1.push_back(""); // 20 functionsShouldBeAvailable1.push_back(""); // 21 functionsShouldBeAvailable1.push_back(""); // 22 functionsShouldBeAvailable1.push_back(""); // 23 functionsShouldBeAvailable1.push_back(""); // 24 functionsShouldBeAvailable1.push_back(""); // 25 functionsShouldBeAvailable1.push_back(""); // 26 functionsShouldBeAvailable1.push_back(""); // 27 functionsShouldBeAvailable1.push_back(""); // 28 functionsShouldBeAvailable1.push_back(""); // 29 functionsShouldBeAvailable1.push_back(""); // 30 vector functionsShouldBeAvailable2; // 0 functionsShouldBeAvailable2.push_back("obabel::getMol"); // 1 functionsShouldBeAvailable2.push_back("obabel::getMol"); // 2 functionsShouldBeAvailable2.push_back("obabel::getMol"); // 3 functionsShouldBeAvailable2.push_back("is Valid"); // 4 functionsShouldBeAvailable2.push_back("is Valid"); // 5 functionsShouldBeAvailable2.push_back("is Valid"); // 6 functionsShouldBeAvailable2.push_back("is Valid"); // 7 functionsShouldBeAvailable2.push_back("is Valid"); // 8 functionsShouldBeAvailable2.push_back("is Valid"); // 9 functionsShouldBeAvailable2.push_back("is Valid"); // 10 functionsShouldBeAvailable2.push_back(""); // 11 functionsShouldBeAvailable2.push_back(""); // 12 functionsShouldBeAvailable2.push_back(""); // 13 functionsShouldBeAvailable2.push_back(""); // 14 functionsShouldBeAvailable2.push_back(""); // 15 functionsShouldBeAvailable2.push_back(""); // 16 functionsShouldBeAvailable2.push_back(""); // 17 functionsShouldBeAvailable2.push_back(""); // 18 functionsShouldBeAvailable2.push_back(""); // 19 functionsShouldBeAvailable2.push_back(""); // 20 functionsShouldBeAvailable2.push_back(""); // 21 functionsShouldBeAvailable2.push_back(""); // 22 functionsShouldBeAvailable2.push_back(""); // 23 functionsShouldBeAvailable2.push_back(""); // 24 functionsShouldBeAvailable2.push_back(""); // 25 functionsShouldBeAvailable2.push_back(""); // 26 functionsShouldBeAvailable2.push_back(""); // 27 functionsShouldBeAvailable2.push_back(""); // 28 functionsShouldBeAvailable2.push_back(""); // 29 functionsShouldBeAvailable2.push_back(""); // 30 vector functionsShouldBeAvailable3; // 0 functionsShouldBeAvailable3.push_back("getEnergy"); // 1 functionsShouldBeAvailable3.push_back(""); // 2 functionsShouldBeAvailable3.push_back(""); // 3 functionsShouldBeAvailable3.push_back("getImage(size...)"); // 4 functionsShouldBeAvailable3.push_back("getImage(size...)"); // 5 functionsShouldBeAvailable3.push_back("getImage(size...)"); // 6 functionsShouldBeAvailable3.push_back("getImage(size...)"); // 7 functionsShouldBeAvailable3.push_back("getImage(size...)"); // 8 functionsShouldBeAvailable3.push_back("getImage(size...)"); // 9 functionsShouldBeAvailable3.push_back("getImage(size...)"); // 10 functionsShouldBeAvailable3.push_back(""); // 11 functionsShouldBeAvailable3.push_back(""); // 12 functionsShouldBeAvailable3.push_back(""); // 13 functionsShouldBeAvailable3.push_back(""); // 14 functionsShouldBeAvailable3.push_back(""); // 15 functionsShouldBeAvailable3.push_back(""); // 16 functionsShouldBeAvailable3.push_back(""); // 17 functionsShouldBeAvailable3.push_back(""); // 18 functionsShouldBeAvailable3.push_back(""); // 19 functionsShouldBeAvailable3.push_back(""); // 20 functionsShouldBeAvailable3.push_back(""); // 21 functionsShouldBeAvailable3.push_back(""); // 22 functionsShouldBeAvailable3.push_back(""); // 23 functionsShouldBeAvailable3.push_back(""); // 24 functionsShouldBeAvailable3.push_back(""); // 25 functionsShouldBeAvailable3.push_back(""); // 26 functionsShouldBeAvailable3.push_back(""); // 27 functionsShouldBeAvailable3.push_back(""); // 28 functionsShouldBeAvailable3.push_back(""); // 29 functionsShouldBeAvailable3.push_back(""); // 30 vector fileKey; // 0 fileKey.push_back(".out .log .txt"); // 1 fileKey.push_back(".cdx"); // 2 fileKey.push_back(".cdxml"); // 3 fileKey.push_back(".mol"); // 4 fileKey.push_back(".sdf"); // 5 fileKey.push_back(".mol"); // 6 fileKey.push_back(".sdf"); // 7 fileKey.push_back(".mol"); // 8 fileKey.push_back(".sdf"); // 9 fileKey.push_back(".sdf"); // 10 fileKey.push_back("acqus"); // 11 fileKey.push_back("procs"); // 12 fileKey.push_back("procs"); // 13 fileKey.push_back("procs"); // 14 fileKey.push_back("procs"); // 15 fileKey.push_back("procs"); // 16 fileKey.push_back("procs"); // 17 fileKey.push_back("procs"); // 18 fileKey.push_back("procs"); // 19 fileKey.push_back("procs"); // 20 fileKey.push_back("acqu2s"); // 21 fileKey.push_back("proc2s"); // 22 fileKey.push_back("proc2s"); // 23 fileKey.push_back("proc2s"); // 24 fileKey.push_back("proc2s"); // 25 fileKey.push_back("proc2s"); // 26 fileKey.push_back("proc2s"); // 27 fileKey.push_back("proc2s"); // 28 fileKey.push_back("proc2s"); // 29 fileKey.push_back("proc2s"); // 30