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//
// 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
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