//
//  Copyright (C) 2021 Greg Landrum
//
//   @@ All Rights Reserved @@
//  This file is part of the RDKit.
//  The contents are covered by the terms of the BSD license
//  which is included in the file license.txt, found at the root
//  of the RDKit source tree.
//

namespace defaults {
//   Name	SMARTS
const std::vector<std::pair<std::string, std::string>> defaultFragments = {
    {"hydrogen", "[H]"},
    {"fluorine", "[F]"},
    {"chlorine", "[Cl]"},
    {"bromine", "[Br]"},
    {"iodine", "[I]"},
    {"lithium", "[Li]"},
    {"sodium", "[Na]"},
    {"potassium", "[K]"},
    {"calcium", "[Ca]"},
    {"magnesium", "[Mg]"},
    {"aluminium", "[Al]"},
    {"barium", "[Ba]"},
    {"bismuth", "[Bi]"},
    {"silver", "[Ag]"},
    {"strontium", "[Sr]"},
    {"zinc", "[Zn]"},
    {"ammonia/ammonium", "[#7]"},
    {"water/hydroxide", "[#8]"},
    {"methyl amine", "[#6]-[#7]"},
    {"sulfide", "S"},
    {"nitrate", "[#7](=[#8])(-[#8])-[#8]"},
    {"phosphate", "[P](=[#8])(-[#8])(-[#8])-[#8]"},
    {"hexafluorophosphate", "[P](-[#9])(-[#9])(-[#9])(-[#9])(-[#9])-[#9]"},
    {"sulfate", "[S](=[#8])(=[#8])(-[#8])-[#8]"},
    {"methyl sulfonate", "[#6]-[S](=[#8])(=[#8])(-[#8])"},
    {"trifluoromethanesulfonic acid",
     "[#8]-[S](=[#8])(=[#8])-[#6](-[#9])(-[#9])-[#9]"},
    {"trifluoroacetic acid", "[#9]-[#6](-[#9])(-[#9])-[#6](=[#8])-[#8]"},
    {"1,2-dichloroethane", "[Cl]-[#6]-[#6]-[Cl]"},
    {"1,2-dimethoxyethane", "[#6]-[#8]-[#6]-[#6]-[#8]-[#6]"},
    {"1,4-dioxane", "[#6]-1-[#6]-[#8]-[#6]-[#6]-[#8]-1"},
    {"1-methyl-2-pyrrolidinone", "[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1=[#8]"},
    {"2-butanone", "[#6]-[#6]-[#6](-[#6])=[#8]"},
    {"acetate/acetic acid", "[#8]-[#6](-[#6])=[#8]"},
    {"acetone", "[#6]-[#6](-[#6])=[#8]"},
    {"acetonitrile", "[#6]-[#6]#[N]"},
    {"benzene", "[#6]1[#6][#6][#6][#6][#6]1"},
    {"butanol", "[#8]-[#6]-[#6]-[#6]-[#6]"},
    {"t-butanol", "[#8]-[#6](-[#6])(-[#6])-[#6]"},
    {"chloroform", "[Cl]-[#6](-[Cl])-[Cl]"},
    {"cycloheptane", "[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1"},
    {"cyclohexane", "[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1"},
    {"dichloromethane", "[Cl]-[#6]-[Cl]"},
    {"diethyl ether", "[#6]-[#6]-[#8]-[#6]-[#6]"},
    {"diisopropyl ether", "[#6]-[#6](-[#6])-[#8]-[#6](-[#6])-[#6]"},
    {"dimethyl formamide", "[#6]-[#7](-[#6])-[#6]=[#8]"},
    {"dimethyl sulfoxide", "[#6]-[S](-[#6])=[#8]"},
    {"ethanol", "[#8]-[#6]-[#6]"},
    {"ethyl acetate", "[#6]-[#6]-[#8]-[#6](-[#6])=[#8]"},
    {"formic acid", "[#8]-[#6]=[#8]"},
    {"heptane", "[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]"},
    {"hexane", "[#6]-[#6]-[#6]-[#6]-[#6]-[#6]"},
    {"isopropanol", "[#8]-[#6](-[#6])-[#6]"},
    {"methanol", "[#8]-[#6]"},
    {"N,N-dimethylacetamide", "[#6]-[#7](-[#6])-[#6](-[#6])=[#8]"},
    {"pentane", "[#6]-[#6]-[#6]-[#6]-[#6]"},
    {"propanol", "[#8]-[#6]-[#6]-[#6]"},
    {"pyridine", "[#6]-1=[#6]-[#6]=[#7]-[#6]=[#6]-1"},
    {"t-butyl methyl ether", "[#6]-[#8]-[#6](-[#6])(-[#6])-[#6]"},
    {"tetrahydrofurane", "[#6]-1-[#6]-[#6]-[#8]-[#6]-1"},
    {"toluene", "[#6]-[#6]~1~[#6]~[#6]~[#6]~[#6]~[#6]~1"},
    {"xylene", "[#6]-[#6]~1~[#6](-[#6])~[#6]~[#6]~[#6]~[#6]~1"}};
    } // namespace defaults