isotopologues.cc

Go to the documentation of this file.

#include <cctype>
 
#include "isotopologues.h"
 
namespace Species {
ArrayOfIsotopeRecord isotopologues(Species spec) {
  #define deal_with_spec(SPEC) case Species::SPEC: return ArrayOfIsotopeRecord(isotopologues<Species::SPEC>());
  
  switch (spec) {
    case Species::Bath: break;
    deal_with_spec(Water)
    deal_with_spec(CarbonDioxide)
    deal_with_spec(Ozone)
    deal_with_spec(NitrogenOxide)
    deal_with_spec(CarbonMonoxide)
    deal_with_spec(Methane)
    deal_with_spec(Oxygen)
    deal_with_spec(NitricOxide)
    deal_with_spec(SulfurDioxide)
    deal_with_spec(NitrogenDioxide)
    deal_with_spec(Ammonia)
    deal_with_spec(NitricAcid)
    deal_with_spec(Hydroxyl)
    deal_with_spec(HydrogenFluoride)
    deal_with_spec(HydrogenChloride)
    deal_with_spec(HydrogenBromide)
    deal_with_spec(HydrogenIodide)
    deal_with_spec(ChlorineMonoxide)
    deal_with_spec(CarbonylSulfide)
    deal_with_spec(Formaldehyde)
    deal_with_spec(HeavyFormaldehyde)
    deal_with_spec(VeryHeavyFormaldehyde)
    deal_with_spec(HypochlorousAcid)
    deal_with_spec(Nitrogen)
    deal_with_spec(HydrogenCyanide)
    deal_with_spec(Chloromethane)
    deal_with_spec(HydrogenPeroxide)
    deal_with_spec(Acetylene)
    deal_with_spec(Ethane)
    deal_with_spec(Phosphine)
    deal_with_spec(CarbonylFluoride)
    deal_with_spec(SulfurHexafluoride)
    deal_with_spec(HydrogenSulfide)
    deal_with_spec(FormicAcid)
    deal_with_spec(LeftHeavyFormicAcid)
    deal_with_spec(RightHeavyFormicAcid)
    deal_with_spec(Hydroperoxyl)
    deal_with_spec(OxygenAtom)
    deal_with_spec(ChlorineNitrate)
    deal_with_spec(NitricOxideCation)
    deal_with_spec(HypobromousAcid)
    deal_with_spec(Ethylene)
    deal_with_spec(Methanol)
    deal_with_spec(Bromomethane)
    deal_with_spec(Acetonitrile)
    deal_with_spec(HeavyAcetonitrile)
    deal_with_spec(CarbonTetrafluoride)
    deal_with_spec(Diacetylene)
    deal_with_spec(Cyanoacetylene)
    deal_with_spec(Hydrogen)
    deal_with_spec(CarbonMonosulfide)
    deal_with_spec(SulfurTrioxide)
    deal_with_spec(Cyanogen)
    deal_with_spec(Phosgene)
    deal_with_spec(SulfurMonoxide)
    deal_with_spec(CarbonDisulfide)
    deal_with_spec(Methyl)
    deal_with_spec(Cyclopropene)
    deal_with_spec(SulfuricAcid)
    deal_with_spec(HydrogenIsocyanide)
    deal_with_spec(BromineMonoxide)
    deal_with_spec(ChlorineDioxide)
    deal_with_spec(Propane)
    deal_with_spec(Helium)
    deal_with_spec(ChlorineMonoxideDimer)
    deal_with_spec(HydrogenAtom)
    deal_with_spec(Argon)
    deal_with_spec(Hexafluoroethane)
    deal_with_spec(Perfluoropropane)
    deal_with_spec(Perfluorobutane)
    deal_with_spec(Perfluoropentane)
    deal_with_spec(Perfluorohexane)
    deal_with_spec(Perfluorooctane)
    deal_with_spec(Perfluorocyclobutane)
    deal_with_spec(CarbonTetrachloride)
    deal_with_spec(CFC11)
    deal_with_spec(CFC113)
    deal_with_spec(CFC114)
    deal_with_spec(CFC115)
    deal_with_spec(CFC12)
    deal_with_spec(Dichloromethane)
    deal_with_spec(Trichloroethane)
    deal_with_spec(Trichloromethane)
    deal_with_spec(Bromochlorodifluoromethane)
    deal_with_spec(Bromotrifluoromethane)
    deal_with_spec(Dibromotetrafluoroethane)
    deal_with_spec(HCFC141b)
    deal_with_spec(HCFC142b)
    deal_with_spec(HCFC22)
    deal_with_spec(HFC125)
    deal_with_spec(HFC134a)
    deal_with_spec(HFC143a)
    deal_with_spec(HFC152a)
    deal_with_spec(HFC227ea)
    deal_with_spec(HFC23)
    deal_with_spec(HFC236fa)
    deal_with_spec(HFC245fa)
    deal_with_spec(HFC32)
    deal_with_spec(HFC365mfc)
    deal_with_spec(NitrogenTrifluoride)
    deal_with_spec(SulfurylFluoride)
    deal_with_spec(HFC4310mee)
    deal_with_spec(Germane)
    deal_with_spec(Iodomethane)
    deal_with_spec(Fluoromethane)
    deal_with_spec(liquidcloud)
    deal_with_spec(icecloud)
    deal_with_spec(rain)
    deal_with_spec(free_electrons)
    deal_with_spec(particles)
    case Species::FINAL: { /* leave last */
    }
  }
  
  #undef deal_with_spec
  
  ARTS_USER_ERROR("Cannot understand: ", spec)
}
 
String isotopologues_names(Species spec) {
  auto x = isotopologues(spec);
  std::ostringstream os;
  for(auto& s: x) os << s.FullName() << '\n';
  return os.str();
}
 
String predefined_model_names() noexcept {
  std::ostringstream os;
  for (auto& x: Isotopologues) {
    if (is_predefined_model(x)) {
      os << x.FullName() << '\n';
    }
  }
  return os.str();
}
 
String update_isot_name(const String& old_name) {
  if (old_name == "CH3CN-211224") return "CH2DCN-224";
  if (old_name == "CH3CN-211124") return "CH3CN-2124";
  if (old_name == "CH3CN-211125") return "CH3CN-2125";
  if (old_name == "CH3CN-211134") return "CH3CN-2134";
  if (old_name == "CH3CN-311124") return "CH3CN-3124";
  if (old_name == "CO2-728")      return "CO2-827";
  if (old_name == "HCOOH-2261")   return "DCOOH-266";
  if (old_name == "HCOOH-1262")   return "HCOOD-266";
  if (old_name == "HCOOH-1261")   return "HCOOH-126";
  if (old_name == "HCOOH-1361")   return "HCOOH-136";
  if (old_name == "H2CO-1126")    return "H2CO-126";
  if (old_name == "H2CO-1128")    return "H2CO-128";
  if (old_name == "H2CO-1136")    return "H2CO-136";
  if (old_name == "H2CO-1226")    return "HDCO-26";
  if (old_name == "H2CO-2226")    return "D2CO-26";
  return old_name;
}
 
std::pair<ArrayOfString, ArrayOfString> names_of_have_and_havenot_ratio(const Species spec, const IsotopologueRatios& ir) noexcept {
  ArrayOfString h, hnot;
  for (std::size_t i=IsotopologuesStart[std::size_t(spec)]; i<IsotopologuesStart[std::size_t(spec) + 1]; i++) {
    if (not Isotopologues[i].joker() and not is_predefined_model(Isotopologues[i])) {
      if (nonstd::isnan(ir[i])) {
        hnot.emplace_back(Isotopologues[i].FullName());
      } else {
        h.emplace_back(Isotopologues[i].FullName());
      }
    }
  }
  return {h, hnot};
}
} // namespace Species