m_abs_lookup.cc

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/* Copyright (C) 2002-2012 Stefan Buehler <sbuehler@ltu.se>
  
   This program is free software; you can redistribute it and/or
   modify it under the terms of the GNU General Public License as
   published by the Free Software Foundation; either version 2 of the
   License, or (at your option) any later version.
  
   This program is distributed in the hope that it will be useful,
   but WITHOUT ANY WARRANTY; without even the implied warranty of
   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
   GNU General Public License for more details.
  
   You should have received a copy of the GNU General Public License
   along with this program; if not, write to the Free Software
   Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307
   USA. */
 
#include <algorithm>
#include <limits>
#include <map>
 
#include "absorption.h"
#include "agenda_class.h"
#include "arts.h"
#include "arts_omp.h"
#include "auto_md.h"
#include "check_input.h"
#include "cloudbox.h"
#include "gas_abs_lookup.h"
#include "global_data.h"
#include "interpolation_poly.h"
#include "math_funcs.h"
#include "matpackV.h"
#include "messages.h"
#include "physics_funcs.h"
#include "rng.h"
 
extern const Index GFIELD4_FIELD_NAMES;
extern const Index GFIELD4_P_GRID;
 
/* Workspace method: Doxygen documentation will be auto-generated */
void abs_lookupInit(GasAbsLookup& x, const Verbosity& verbosity) {
  ArtsOut2 out2(verbosity);
  // Nothing to do here.
  // That means, we rely on the default constructor.
 
  x = GasAbsLookup();
  out2 << "  Created an empty gas absorption lookup table.\n";
}
 
/* Workspace method: Doxygen documentation will be auto-generated */
void abs_lookupCalc(  // Workspace reference:
    Workspace& ws,
    // WS Output:
    GasAbsLookup& abs_lookup,
    Index& abs_lookup_is_adapted,
    // WS Input:
    const ArrayOfArrayOfSpeciesTag& abs_species,
    const ArrayOfArrayOfSpeciesTag& abs_nls,
    const Vector& f_grid,
    const Vector& abs_p,
    const Matrix& abs_vmrs,
    const Vector& abs_t,
    const Vector& abs_t_pert,
    const Vector& abs_nls_pert,
    const Agenda& abs_xsec_agenda,
    // Verbosity object:
    const Verbosity& verbosity) {
  CREATE_OUT2;
  CREATE_OUT3;
 
  // We need this temporary variable to make a local copy of all VMRs,
  // where we then perturb the H2O profile as needed
  Matrix these_all_vmrs = abs_vmrs;
 
  // We will be calling an absorption agenda one species at a
  // time. This is better than doing all simultaneously, because is
  // saves memory and allows for consistent treatment of nonlinear
  // species. But it means we need local copies of species, line list,
  // and line shapes for agenda communication.
 
  // 1. Output of absorption calculations:
 
  // Absorption coefficients:
  Matrix these_abs_coef;
 
  // Absorption cross sections per tag group.
  ArrayOfMatrix abs_xsec_per_species, src_xsec_per_species;
  ArrayOfArrayOfMatrix dabs_xsec_per_species_dx, dsrc_xsec_per_species_dx;
 
  // 2. Determine various important sizes:
  const Index n_species = abs_species.nelem();  // Number of abs species
  const Index n_nls = abs_nls.nelem();          // Number of nonlinear species
  const Index n_f_grid = f_grid.nelem();      // Number of frequency grid points
  const Index n_p_grid = abs_p.nelem();       // Number of presure grid points
  const Index n_t_pert = abs_t_pert.nelem();  // Number of temp. perturbations
  const Index n_nls_pert = abs_nls_pert.nelem();  // Number of VMR pert. for NLS
 
  // 3. Input to absorption calculations:
 
  // Absorption vmrs and temperature:
  Matrix this_vmr(1, n_p_grid);
  Vector abs_h2o(n_p_grid);
  Vector this_t;  // Has same dimension, but is
                  // initialized by assignment later.
  const EnergyLevelMap this_nlte_dummy;
 
  // Species list, lines, and line shapes, all with only 1 element:
  ArrayOfArrayOfSpeciesTag this_species(1);
 
  // List of active species for agenda call. Will always be filled with only
  // one species.
  ArrayOfIndex abs_species_active(1);
 
  // Local copy of nls_pert and t_pert:
  Vector these_nls_pert;  // Is resized every time when used
  Vector these_t_pert;    // Is resized later on
 
  // 4. Checks of input parameter correctness:
 
  const Index h2o_index = find_first_species_tg(
      abs_species, species_index_from_species_name("H2O"));
 
  if (h2o_index < 0) {
    // If there are nonlinear species, then at least one species must be
    // H2O. We will use that to set h2o_abs, and to perturb in the case
    // of nonlinear species.
    if (n_nls > 0) {
      ostringstream os;
      os << "If you have nonlinear species, at least one\n"
         << "species must be a H2O species.";
      throw runtime_error(os.str());
    } else {
      out2 << "  You have no H2O species. Absorption continua will not work.\n"
           << "  You should get a runtime error if you try them anyway.\n";
    }
  }
 
  // abs_species, f_grid, and p_grid should not be empty:
  if (0 == n_species || 0 == n_f_grid || 0 == n_p_grid) {
    ostringstream os;
    os << "One of the required input variables is empty:\n"
       << "abs_species.nelem() = " << n_species << ",\n"
       << "f_grid.nelem() = " << n_f_grid << ",\n"
       << "abs_p.nelem() = " << n_p_grid << ".";
    throw runtime_error(os.str());
  }
 
  // Set up the index array abs_nls from the tag array
  // abs_nls. Give an error message if these
  // tags are not included in abs_species.
  ArrayOfIndex abs_nls_idx;
  for (Index i = 0; i < n_nls; ++i) {
    Index s;
    for (s = 0; s < n_species; ++s) {
      if (abs_nls[i] == abs_species[s]) {
        abs_nls_idx.push_back(s);
        break;
      }
    }
    if (s == n_species) {
      ostringstream os;
      os << "Did not find *abs_nls* tag group \""
         << get_tag_group_name(abs_nls[i]) << "\" in *abs_species*.";
      throw runtime_error(os.str());
    }
  }
 
  // Furthermore abs_nls_idx must not contain duplicate values:
  if (!is_unique(abs_nls_idx)) {
    ostringstream os;
    os << "The variable *abs_nls* must not have duplicate species.\n"
       << "Value of *abs_nls*: " << abs_nls_idx;
    throw runtime_error(os.str());
  }
 
  // VMR matrix must match species list and pressure levels:
  chk_size("abs_vmrs", abs_vmrs, n_species, n_p_grid);
 
  // Temperature vector must match number of pressure levels:
  chk_size("abs_t", abs_t, n_p_grid);
 
  // abs_nls_pert should only be not-empty if we have nonlinear species:
  if (((0 == n_nls) && (0 != n_nls_pert)) ||
      ((0 != n_nls) && (0 == n_nls_pert))) {
    ostringstream os;
    os << "You have to set both abs_nls and abs_nls_pert, or none.";
    throw runtime_error(os.str());
  }
 
  // 4.a Set up a logical array for the nonlinear species.
  ArrayOfIndex non_linear(n_species, 0);
  for (Index s = 0; s < n_nls; ++s) {
    non_linear[abs_nls_idx[s]] = 1;
  }
 
  // 5. Set general lookup table properties:
  abs_lookup.species = abs_species;  // Species list
  abs_lookup.nonlinear_species =
      abs_nls_idx;             // Nonlinear species   (e.g., H2O, O2)
  abs_lookup.f_grid = f_grid;  // Frequency grid
  abs_lookup.p_grid = abs_p;   // Pressure grid
  abs_lookup.vmrs_ref = abs_vmrs;
  abs_lookup.t_ref = abs_t;
  abs_lookup.t_pert = abs_t_pert;
  abs_lookup.nls_pert = abs_nls_pert;
 
  // 5.a. Set log_p_grid:
  abs_lookup.log_p_grid.resize(n_p_grid);
  transform(abs_lookup.log_p_grid, log, abs_lookup.p_grid);
 
  // 6. Create abs_lookup.xsec with the right dimensions:
  {
    Index a, b, c, d;
 
    if (0 == n_t_pert)
      a = 1;
    else
      a = n_t_pert;
 
    b = n_species + n_nls * (n_nls_pert - 1);
 
    c = n_f_grid;
 
    d = n_p_grid;
 
    abs_lookup.xsec.resize(a, b, c, d);
    abs_lookup.xsec = NAN;
  }
 
  // 6.a. Set up these_t_pert. This is done so that we can use the
  // same loop over the perturbations, independent of
  // whether we have temperature perturbations or not.
  if (0 != n_t_pert) {
    out2 << "  With temperature perturbations.\n";
    these_t_pert.resize(n_t_pert);
    these_t_pert = abs_t_pert;
  } else {
    out2 << "  No temperature perturbations.\n";
    these_t_pert.resize(1);
    these_t_pert = 0;
  }
 
  const Index these_t_pert_nelem = these_t_pert.nelem();
 
  // 7. Now we have to fill abs_lookup.xsec with the right values!
 
  String fail_msg;
  bool failed = false;
 
  // We have to make a local copy of the Workspace and the agenda because
  // only non-reference types can be declared firstprivate in OpenMP
  Workspace l_ws(ws);
  Agenda l_abs_xsec_agenda(abs_xsec_agenda);
 
  // Loop species:
  for (Index i = 0, spec = 0; i < n_species; ++i) {
    // Skipping Zeeman and free_electrons species.
    // (Mixed tag groups between those and other species are not allowed.)
    if (is_zeeman(abs_species[i]) ||
        abs_species[i][0].Type() == SpeciesTag::TYPE_FREE_ELECTRONS ||
        abs_species[i][0].Type() == SpeciesTag::TYPE_PARTICLES) {
      spec++;
      continue;
    }
 
    // spec is the index for the second dimension of abs_lookup.xsec.
 
    // Prepare absorption agenda input for this species:
    out2 << "  Doing species " << i + 1 << " of " << n_species << ": "
         << abs_species[i] << ".\n";
 
    // Set active species:
    abs_species_active[0] = i;
 
    // Get a dummy list of tag groups with only the current element:
    this_species[0].resize(abs_species[i].nelem());
    this_species[0] = abs_species[i];
 
    // Set up these_nls_pert. This is done so that we can use the
    // same loop over the perturbations, independent of
    // whether we have nonlinear species or not.
    if (non_linear[i]) {
      out2 << "  This is a species with H2O VMR perturbations.\n";
      these_nls_pert.resize(n_nls_pert);
      these_nls_pert = abs_nls_pert;
    } else {
      these_nls_pert.resize(1);
      these_nls_pert = 1;
    }
 
    // Loop these_nls_pert:
    for (Index s = 0; s < these_nls_pert.nelem(); ++s, ++spec) {
      // Remember, spec is the index for the second dimension of
      // abs_lookup.xsec
 
      if (non_linear[i]) {
        out2 << "  Doing H2O VMR variant " << s + 1 << " of " << n_nls_pert
             << ": " << abs_nls_pert[s] << ".\n";
      }
 
      // Make a local copy of the VMRs, and manipulate the H2O VMR within it.
      // Note: We do not need a runtime error check that h2o_index is ok here,
      // because earlier on we throw an error if there is no H2O species although we
      // need it. So, if h2o_indes is -1, we here simply assume that there
      // should not be a perturbation
      if (h2o_index >= 0) {
        these_all_vmrs(h2o_index, joker) = abs_vmrs(h2o_index, joker);
        these_all_vmrs(h2o_index, joker) *=
            these_nls_pert[s];  // Add perturbation
      }
 
      // VMR for this species (still needed by interfact to continua):
      // FIXME: This variable may go away eventually, when the continuum
      // part no longer needs it.
      this_vmr(0, joker) = these_all_vmrs(i, joker);
 
      // For abs_h2o, we can always add the perturbations (it will
      // not make a difference if the species itself is also H2O).
      // Attention, we need to treat here also the case that there
      // is no H2O species. We will then set abs_h2o to
      // -1. Absorption routines that do not really need abs_h2o
      // will still run.
      //
      // FIXME: abs_h2o is currently still needed by the continuum part.
      // Should go away eventually.
      if (h2o_index == -1) {
        // The case without H2O species.
        abs_h2o.resize(1);
        abs_h2o = -1;
      } else {
        // The normal case.
        abs_h2o = these_all_vmrs(h2o_index, joker);
      }
 
      // Loop temperature perturbations
      // ------------------------------
 
      // We use a parallel for loop for this.
 
      // There is something strange here: abs_lookup seems to be
      // "shared" by default, although I have set default(none). I
      // suspect that the reason for this behavior is that
      // abs_lookup is a return by reference parameter of this
      // function. Anyway, shared is the correct setting for
      // abs_lookup, so there is no problem.
 
#pragma omp parallel for if (                                         \
    !arts_omp_in_parallel() &&                                        \
    these_t_pert_nelem >=                                             \
        arts_omp_get_max_threads()) private(this_t,                   \
                                            abs_xsec_per_species,     \
                                            src_xsec_per_species,     \
                                            dabs_xsec_per_species_dx, \
                                            dsrc_xsec_per_species_dx) \
    firstprivate(l_ws, l_abs_xsec_agenda)
      for (Index j = 0; j < these_t_pert_nelem; ++j) {
        // Skip remaining iterations if an error occurred
        if (failed) continue;
 
        // The try block here is necessary to correctly handle
        // exceptions inside the parallel region.
        try {
          if (0 != n_t_pert) {
            // We first prepare the output in a string here,
            // so that we can write it to out3 with a single
            // operation. This avoids messy output from
            // multiple threads.
            ostringstream os;
 
            os << "  Doing temperature variant " << j + 1 << " of " << n_t_pert
               << ": " << these_t_pert[j] << ".\n";
 
            out3 << os.str();
          }
 
          // Create perturbed temperature profile:
          this_t = abs_lookup.t_ref;
          this_t += these_t_pert[j];
 
          // Call agenda to calculate absorption:
          abs_xsec_agendaExecute(l_ws,
                                 abs_xsec_per_species,
                                 src_xsec_per_species,
                                 dabs_xsec_per_species_dx,
                                 dsrc_xsec_per_species_dx,
                                 abs_species,
                                 ArrayOfRetrievalQuantity(0),
                                 abs_species_active,
                                 f_grid,
                                 abs_p,
                                 this_t,
                                 this_nlte_dummy,
                                 these_all_vmrs,
                                 l_abs_xsec_agenda);
 
          // Store in the right place:
          // Loop through all altitudes
          for (Index p = 0; p < n_p_grid; ++p) {
            abs_lookup.xsec(j, spec, Range(joker), p) =
                abs_xsec_per_species[i](Range(joker), p);
 
            // There used to be a division by the number density
            // n here. This is no longer necessary, since
            // abs_xsec_per_species now contains true absorption
            // cross sections.
 
            // IMPORTANT: There was a bug in my old Matlab
            // function "create_lookup.m" to generate the lookup
            // table. (The number density was always the
            // reference one, and did not change for different
            // temperatures.) Patricks Atmlab function
            // "arts_abstable_from_arts1.m" did *not* have this bug.
 
            // Calculate the number density for the given pressure and
            // temperature:
            // n = n0*T0/p0 * p/T or n = p/kB/t, ideal gas law
            //                  const Numeric n = number_density( abs_lookup.p_grid[p],
            //                                                    this_t[p]   );
            //                  abs_lookup.xsec( j, spec, Range(joker), p ) /= n;
          }
        }  // end of try block
        catch (const std::runtime_error& e) {
#pragma omp critical(abs_lookupCalc_fail)
          {
            fail_msg = e.what();
            failed = true;
          }
        }
      }  // end of parallel for loop
 
      if (failed) throw runtime_error(fail_msg);
    }
  }
 
  // 6. Initialize fgp_default.
  abs_lookup.fgp_default.resize(f_grid.nelem());
  gridpos_poly(abs_lookup.fgp_default, abs_lookup.f_grid, abs_lookup.f_grid, 0);
 
  // Set the abs_lookup_is_adapted flag. After all, the table fits the
  // current frequency grid and species selection.
  abs_lookup_is_adapted = 1;
}
 
 
void find_nonlinear_continua(ArrayOfIndex& cont,
                             const ArrayOfArrayOfSpeciesTag& abs_species,
                             const Verbosity& verbosity) {
  CREATE_OUT3;
 
  cont.resize(0);
 
  // This is quite complicated, unfortunately. The approach here
  // is copied from abs_xsec_per_speciesAddConts. For explanation,
  // see there.
 
  // Loop tag groups:
  for (Index i = 0; i < abs_species.nelem(); ++i) {
    // Loop tags in tag group
    for (Index s = 0; s < abs_species[i].nelem(); ++s) {
      // Check for continuum tags
      if (abs_species[i][s].Type() == SpeciesTag::TYPE_PREDEF ||
          abs_species[i][s].Type() == SpeciesTag::TYPE_CIA) {
        const String thisname = abs_species[i][s].Name();
        // Ok, now we know this is a continuum tag.
        out3 << "  Continuum tag: " << thisname;
 
        // Check whether we want nonlinear treatment for
        // this or not. We have three classes of continua:
        // 1. Those that we know do not require it
        // 2. Those that we know require h2o_abs
        // 3. Those for which we do not know
 
        // The list here is not at all perfect, just a first
        // guess. If you need particular models, you better
        // check that the right thing is done with your model.
 
        // 1. Continua known to not use h2o_abs
        // We take also H2O itself here, since this is
        // handled separately
        if (species_index_from_species_name("H2O") ==
                abs_species[i][s].Species() ||
            "N2-" == thisname.substr(0, 3) || "CO2-" == thisname.substr(0, 4) ||
            "O2-CIA" == thisname.substr(0, 6) ||
            "O2-v0v" == thisname.substr(0, 6) ||
            "O2-v1v" == thisname.substr(0, 6) ||
            "H2-CIA" == thisname.substr(0, 6) ||
            "He-CIA" == thisname.substr(0, 6) ||
            "CH4-CIA" == thisname.substr(0, 7) ||
            "liquidcloud-MPM93" == thisname.substr(0, 17) ||
            "liquidcloud-ELL07" == thisname.substr(0, 17)) {
          out3 << " --> not added.\n";
          break;
        }
 
        // 2. Continua known to use h2o_abs
        if ("O2-" == thisname.substr(0, 3)) {
          cont.push_back(i);
          out3 << " --> added to abs_nls.\n";
          break;
        }
 
        // 3. abs_species tags that are NOT allowed in LUT
        // calculations
        if ("icecloud-" == thisname.substr(0, 9) ||
            "rain-" == thisname.substr(0, 5)) {
          ostringstream os;
          os << "Tag " << thisname << " not allowed in absorption "
             << "lookup tables.";
          throw runtime_error(os.str());
        }
 
        // If we get here, then the tag was neither in the
        // posivitive nor in the negative list. We through a
        // runtime error.
        out3 << " --> unknown.\n";
        ostringstream os;
        os << "Unknown whether tag " << thisname
           << " is a nonlinear species (i.e. uses h2o_abs) or not.\n"
           << "Cannot set abs_nls automatically.";
        throw runtime_error(os.str());
      }
    }
  }
}
 
 
void choose_abs_nls(ArrayOfArrayOfSpeciesTag& abs_nls,
                    const ArrayOfArrayOfSpeciesTag& abs_species,
                    const Verbosity& verbosity) {
  CREATE_OUT2;
 
  abs_nls.resize(0);
 
  // Add all H2O species as non-linear:
  Index next_h2o = 0;
  while (-1 !=
         (next_h2o = find_next_species_tg(
              abs_species, species_index_from_species_name("H2O"), next_h2o))) {
    abs_nls.push_back(abs_species[next_h2o]);
    ++next_h2o;
  }
 
  // Certain continuum models also depend on abs_h2o. There is a
  // helper function that contains a list of these.
  ArrayOfIndex cont;
  find_nonlinear_continua(cont, abs_species, verbosity);
 
  // Add these to abs_nls:
  for (Index i = 0; i < cont.nelem(); ++i) {
    abs_nls.push_back(abs_species[cont[i]]);
  }
 
  out2 << "  Species marked for nonlinear treatment:\n";
  for (Index i = 0; i < abs_nls.nelem(); ++i) {
    out2 << "  ";
    for (Index j = 0; j < abs_nls[i].nelem(); ++j) {
      if (j != 0) out2 << ", ";
      out2 << abs_nls[i][j].Name();
    }
    out2 << "\n";
  }
}
 
 
void choose_abs_t_pert(Vector& abs_t_pert,
                       ConstVectorView abs_t,
                       ConstVectorView tmin,
                       ConstVectorView tmax,
                       const Numeric& step,
                       const Index& p_interp_order,
                       const Index& t_interp_order,
                       const Verbosity& verbosity) {
  CREATE_OUT2;
  CREATE_OUT3;
 
  // The code to find out the range for perturbation is a bit
  // complicated. The problem is that, since we use higher order
  // interpolation for p, we may require temperatures well outside the
  // local min/max range at the reference level. We solve this by
  // really looking at the min/max range for those levels required by
  // the p_interp_order.
 
  Numeric mindev = 1e9;
  Numeric maxdev = -1e9;
 
  Vector the_grid(0, abs_t.nelem(), 1);
  for (Index i = 0; i < the_grid.nelem(); ++i) {
    GridPosPoly gp;
    gridpos_poly(gp, the_grid, (Numeric)i, p_interp_order);
 
    for (Index j = 0; j < gp.idx.nelem(); ++j) {
      // Our pressure grid for the lookup table may be coarser than
      // the original one for the batch cases. This may lead to max/min
      // values in the original data that exceed those we assumed
      // above. We add some extra margin here to account for
      // that. (The margin is +-10K)
 
      Numeric delta_min = tmin[i] - abs_t[gp.idx[j]] - 10;
      Numeric delta_max = tmax[i] - abs_t[gp.idx[j]] + 10;
 
      if (delta_min < mindev) mindev = delta_min;
      if (delta_max > maxdev) maxdev = delta_max;
    }
  }
 
  out3 << "  abs_t_pert: mindev/maxdev : " << mindev << " / " << maxdev << "\n";
 
  // We divide the interval between mindev and maxdev, so that the
  // steps are of size *step* or smaller. But we also need at least
  // *t_interp_order*+1 points.
  Index div = t_interp_order;
  Numeric effective_step;
  do {
    effective_step = (maxdev - mindev) / (Numeric)div;
    ++div;
  } while (effective_step > step);
 
  abs_t_pert = Vector(mindev, div, effective_step);
 
  out2 << "  abs_t_pert: " << abs_t_pert[0] << " K to "
       << abs_t_pert[abs_t_pert.nelem() - 1] << " K in steps of "
       << effective_step << " K (" << abs_t_pert.nelem() << " grid points)\n";
}
 
 
void choose_abs_nls_pert(Vector& abs_nls_pert,
                         ConstVectorView refprof,
                         ConstVectorView minprof,
                         ConstVectorView maxprof,
                         const Numeric& step,
                         const Index& p_interp_order,
                         const Index& nls_interp_order,
                         const Verbosity& verbosity) {
  CREATE_OUT2;
  CREATE_OUT3;
 
  // The code to find out the range for perturbation is a bit
  // complicated. The problem is that, since we use higher order
  // interpolation for p, we may require humidities well outside the
  // local min/max range at the reference level. We solve this by
  // really looking at the min/max range for those levels required by
  // the p_interp_order.
 
  Numeric mindev = 0;
  Numeric maxdev = -1e9;
 
  // mindev is set to zero from the start, since we always want to
  // include 0.
 
  Vector the_grid(0, refprof.nelem(), 1);
  for (Index i = 0; i < the_grid.nelem(); ++i) {
    //       cout << "!!!!!! i = " << i << "\n";
    //       cout << " min/ref/max = " << minprof[i] << " / "
    //            << refprof[i] << " / "
    //            << maxprof[i] << "\n";
 
    GridPosPoly gp;
    gridpos_poly(gp, the_grid, (Numeric)i, p_interp_order);
 
    for (Index j = 0; j < gp.idx.nelem(); ++j) {
      //           cout << "!!!!!! j = " << j << "\n";
      //           cout << "  ref[j] = " << refprof[gp.idx[j]] << "   ";
      //           cout << "  minfrac[j] = " << minprof[i] / refprof[gp.idx[j]] << "   ";
      //           cout << "  maxfrac[j] = " << maxprof[i] / refprof[gp.idx[j]] << "  \n";
 
      // Our pressure grid for the lookup table may be coarser than
      // the original one for the batch cases. This may lead to max/min
      // values in the original data that exceed those we assumed
      // above. We add some extra margin to the max value here to account for
      // that. (The margin is a factor of 2.)
 
      Numeric delta_min = minprof[i] / refprof[gp.idx[j]];
      Numeric delta_max = 2 * maxprof[i] / refprof[gp.idx[j]];
 
      if (delta_min < mindev) mindev = delta_min;
      // do not update maxdev, when delta_max is infinity (this results from
      // refprof being 0)
      if (!std::isinf(delta_max) && (delta_max > maxdev)) maxdev = delta_max;
    }
  }
 
  out3 << "  abs_nls_pert: mindev/maxdev : " << mindev << " / " << maxdev
       << "\n";
 
  bool allownegative = false;
  if (mindev < 0) {
    out2
        << "  Warning: I am getting a negative fractional distance to the H2O\n"
        << "  reference profile. Some of your H2O fields may contain negative values.\n"
        << "  Will allow negative values also for abs_nls_pert.\n";
    allownegative = true;
  }
 
  if (!allownegative) {
    mindev = 0;
    out3 << "  Adjusted mindev : " << mindev << "\n";
  }
 
  if (std::isinf(maxdev)) {
    ostringstream os;
    os << "Perturbation upper limit is infinity (likely due to the reference\n"
       << "profile being 0 at at least one pressure level). Can not work\n"
       << "with that.";
    throw runtime_error(os.str());
  }
 
  // We divide the interval between mindev and maxdev, so that the
  // steps are of size *step* or smaller. But we also need at least
  // *nls_interp_order*+1 points.
  Index div = nls_interp_order;
  Numeric effective_step;
  do {
    effective_step = (maxdev - mindev) / (Numeric)div;
    ++div;
  } while (effective_step > step);
 
  abs_nls_pert = Vector(mindev, div, effective_step);
 
  // If there are negative values, we also add 0. The reason for this
  // is that 0 is a turning point.
  if (allownegative) {
    VectorInsertGridPoints(abs_nls_pert, abs_nls_pert, {0}, verbosity);
    out2
        << "  I am including also 0 in the abs_nls_pert, because it is a turning \n"
        << "  point. Consider to use a higher abs_nls_interp_order, for example 4.\n";
  }
 
  out2 << "  abs_nls_pert: " << abs_nls_pert[0] << " to "
       << abs_nls_pert[abs_nls_pert.nelem() - 1]
       << " (fractional units) in steps of "
       << abs_nls_pert[1] - abs_nls_pert[0] << " (" << abs_nls_pert.nelem()
       << " grid points)\n";
}
 
/* Workspace method: Doxygen documentation will be auto-generated */
void abs_lookupSetup(  // WS Output:
    Vector& abs_p,
    Vector& abs_t,
    Vector& abs_t_pert,
    Matrix& abs_vmrs,
    ArrayOfArrayOfSpeciesTag& abs_nls,
    Vector& abs_nls_pert,
    // WS Input:
    const Index& atmosphere_dim,
    const Vector& p_grid,
    //                     const Vector& lat_grid,
    //                     const Vector& lon_grid,
    const Tensor3& t_field,
    const Tensor4& vmr_field,
    const Index& atmfields_checked,
    const ArrayOfArrayOfSpeciesTag& abs_species,
    const Index& abs_p_interp_order,
    const Index& abs_t_interp_order,
    const Index& abs_nls_interp_order,
    // Control Parameters:
    const Numeric& p_step10,
    const Numeric& t_step,
    const Numeric& h2o_step,
    const Verbosity& verbosity) {
  // Checks on input parameters:
 
  if (atmfields_checked != 1)
    throw runtime_error(
        "The atmospheric fields must be flagged to have "
        "passed a consistency check (atmfields_checked=1).");
 
  // We don't actually need lat_grid and lon_grid, but we have them as
  // input variables, so that we can use the standard functions to
  // check atmospheric fields and grids. A bit cheesy, but I don't
  // want to program all the checks explicitly.
 
  // Check grids (outcommented the ones that have been done by
  // atmfields_checkedCalc already):
  //chk_atm_grids(atmosphere_dim, p_grid, lat_grid, lon_grid);
 
  if (p_grid.nelem() < 2) {
    ostringstream os;
    os << "You need at least two pressure levels.";
    throw runtime_error(os.str());
  }
 
  // Check T field:
  //chk_atm_field("t_field", t_field, atmosphere_dim,
  //              p_grid, lat_grid, lon_grid);
 
  // Check VMR field (and abs_species):
  //chk_atm_field("vmr_field", vmr_field, atmosphere_dim,
  //              abs_species.nelem(), p_grid, lat_grid, lon_grid);
 
  // Check the keyword arguments:
  if (p_step10 <= 0 || t_step <= 0 || h2o_step <= 0) {
    ostringstream os;
    os << "The keyword arguments p_step, t_step, and h2o_step must be >0.";
    throw runtime_error(os.str());
  }
 
  // Ok, all input parameters seem to be reasonable.
 
  // For consistency with other code around arts (e.g., correlation
  // lengths in atmlab), p_step is given as log10(p[Pa]). However, we
  // convert it here to the natural log:
  const Numeric p_step = log(pow(10.0, p_step10));
 
  // We will need the log of the pressure grid:
  Vector log_p_grid(p_grid.nelem());
  transform(log_p_grid, log, p_grid);
 
  //  const Numeric epsilon = 0.01 * p_step; // This is the epsilon that
  //                                         // we use for comparing p grid spacings.
 
  // Construct abs_p
  // ---------------
 
  ArrayOfNumeric log_abs_p_a;  // We take log_abs_p_a as an array of
                               // Numeric, so that we can easily
      // build it up by appending new elements to the end.
 
  // Check whether there are pressure levels that are further apart
  // (in log(p)) than p_step, and insert additional levels if
  // necessary:
 
  log_abs_p_a.push_back(log_p_grid[0]);
 
  for (Index i = 1; i < log_p_grid.nelem(); ++i) {
    const Numeric dp =
        log_p_grid[i - 1] - log_p_grid[i];  // The grid is descending.
 
    const Numeric dp_by_p_step = dp / p_step;
    //          cout << "dp_by_p_step: " << dp_by_p_step << "\n";
 
    // How many times does p_step fit into dp?
    const Index n = (Index)ceil(dp_by_p_step);
    // n is the number of intervals that we want to have in the
    // new grid. The number of additional points to insert is
    // n-1. But we have to insert the original point as well.
    //          cout << n << "\n";
 
    const Numeric ddp = dp / (Numeric)n;
    //          cout << "ddp: " << ddp << "\n";
 
    for (Index j = 1; j <= n; ++j)
      log_abs_p_a.push_back(log_p_grid[i - 1] - (Numeric)j * ddp);
  }
 
  // Copy to a proper vector, we need this also later for
  // interpolation:
  Vector log_abs_p(log_abs_p_a.nelem());
  for (Index i = 0; i < log_abs_p_a.nelem(); ++i) log_abs_p[i] = log_abs_p_a[i];
 
  // Copy the new grid to abs_p, removing the log:
  abs_p.resize(log_abs_p.nelem());
  transform(abs_p, exp, log_abs_p);
 
  // Check that abs_p has enough points for the interpolation order
  if (abs_p.nelem() < abs_p_interp_order + 1) {
    ostringstream os;
    os << "Your pressure grid does not have enough levels for the desired interpolation order.";
    throw runtime_error(os.str());
  }
 
  // We will also have to interpolate T and VMR profiles to the new
  // pressure grid. We interpolate in log(p), as usual in ARTS.
 
  // Grid positions:
  ArrayOfGridPos gp(log_abs_p.nelem());
  gridpos(gp, log_p_grid, log_abs_p);
 
  // Interpolation weights:
  Matrix itw(gp.nelem(), 2);
  interpweights(itw, gp);
 
  // In the 1D case the lookup table is just a lookup table in
  // pressure. We treat this simple case first.
  if (1 == atmosphere_dim) {
    // Reference temperature,
    // interpolate abs_t from t_field:
    abs_t.resize(log_abs_p.nelem());
    interp(abs_t, itw, t_field(joker, 0, 0), gp);
 
    // Temperature perturbations:
    abs_t_pert.resize(0);
 
    // Reference VMR profiles,
    // interpolate abs_vmrs from vmr_field:
    abs_vmrs.resize(abs_species.nelem(), log_abs_p.nelem());
    for (Index i = 0; i < abs_species.nelem(); ++i)
      interp(abs_vmrs(i, joker), itw, vmr_field(i, joker, 0, 0), gp);
 
    // Species for which H2O VMR is perturbed:
    abs_nls.resize(0);
 
    // H2O VMR perturbations:
    abs_nls_pert.resize(0);
  } else {
    // 2D or 3D case. We have to set up T and nonlinear species variations.
 
    // Make an intelligent choice for the nonlinear species.
    choose_abs_nls(abs_nls, abs_species, verbosity);
 
    // Now comes a part where we analyse the atmospheric fields.
    // We need to find the max, min, and mean profile for
    // temperature and VMRs.
    // We do this on the original p grid, not on the refined p
    // grid, to be more efficient.
 
    // Temperature:
    Vector tmin(p_grid.nelem());
    Vector tmax(p_grid.nelem());
    Vector tmean(p_grid.nelem());
 
    for (Index i = 0; i < p_grid.nelem(); ++i) {
      tmin[i] = min(t_field(i, joker, joker));
      tmax[i] = max(t_field(i, joker, joker));
      tmean[i] = mean(t_field(i, joker, joker));
    }
 
    //       cout << "Tmin: " << tmin << "\n";
    //       cout << "Tmax: " << tmax << "\n";
    //       cout << "Tmean: " << tmean << "\n";
 
    // Calculate mean profiles of all species. (We need all for abs_vmrs
    // not only H2O.)
    Matrix vmrmean(abs_species.nelem(), p_grid.nelem());
    for (Index s = 0; s < abs_species.nelem(); ++s)
      for (Index i = 0; i < p_grid.nelem(); ++i) {
        vmrmean(s, i) = mean(vmr_field(s, i, joker, joker));
      }
 
    // If there are NLS, determine H2O statistics:
 
    // We have to define these here, outside the if block, because
    // we need the values later.
    Vector h2omin(p_grid.nelem());
    Vector h2omax(p_grid.nelem());
    const Index h2o_index = find_first_species_tg(
        abs_species, species_index_from_species_name("H2O"));
    // We need this inside the if clauses for nonlinear species
    // treatment. The function returns "-1" if there is no H2O
    // species. There is a check for that in the next if block, with
    // an appropriate runtime error.
 
    if (0 < abs_nls.nelem()) {
      // Check if there really is a H2O species.
      if (h2o_index < 0) {
        ostringstream os;
        os << "Some of your species require nonlinear treatment,\n"
           << "but you have no H2O species.";
        throw runtime_error(os.str());
      }
 
      for (Index i = 0; i < p_grid.nelem(); ++i) {
        h2omin[i] = min(vmr_field(h2o_index, i, joker, joker));
        h2omax[i] = max(vmr_field(h2o_index, i, joker, joker));
      }
 
      //           cout << "H2Omin: " << h2omin << "\n";
      //           cout << "H2Omax: " << h2omax << "\n";
      //           cout << "H2Omean: " << vmrmean(h2o_index,joker) << "\n";
    }
 
    // Interpolate in pressure, set abs_t, abs_vmr...
 
    // Reference temperature,
    // interpolate abs_t from tmean:
    abs_t.resize(log_abs_p.nelem());
    interp(abs_t, itw, tmean, gp);
 
    // Temperature perturbations:
    choose_abs_t_pert(abs_t_pert,
                      tmean,
                      tmin,
                      tmax,
                      t_step,
                      abs_p_interp_order,
                      abs_t_interp_order,
                      verbosity);
    //       cout << "abs_t_pert: " << abs_t_pert << "\n";
 
    // Reference VMR profiles,
    // interpolate abs_vmrs from vmrmean:
    abs_vmrs.resize(abs_species.nelem(), log_abs_p.nelem());
    for (Index i = 0; i < abs_species.nelem(); ++i)
      interp(abs_vmrs(i, joker), itw, vmrmean(i, joker), gp);
 
    if (0 < abs_nls.nelem()) {
      // Construct abs_nls_pert:
      choose_abs_nls_pert(abs_nls_pert,
                          vmrmean(h2o_index, joker),
                          h2omin,
                          h2omax,
                          h2o_step,
                          abs_p_interp_order,
                          abs_nls_interp_order,
                          verbosity);
    } else {
      // Empty abs_nls_pert:
      abs_nls_pert.resize(0);
    }
    //       cout << "abs_nls_pert: " << abs_nls_pert << "\n";
  }
}
 
/* Workspace method: Doxygen documentation will be auto-generated */
void abs_lookupSetupBatch(  // WS Output:
    Vector& abs_p,
    Vector& abs_t,
    Vector& abs_t_pert,
    Matrix& abs_vmrs,
    ArrayOfArrayOfSpeciesTag& abs_nls,
    Vector& abs_nls_pert,
    // WS Input:
    const ArrayOfArrayOfSpeciesTag& abs_species,
    const ArrayOfGriddedField4& batch_fields,
    const Index& abs_p_interp_order,
    const Index& abs_t_interp_order,
    const Index& abs_nls_interp_order,
    const Index& atmosphere_dim,
    // Control Parameters:
    const Numeric& p_step10,
    const Numeric& t_step,
    const Numeric& h2o_step,
    const Vector& extremes,
    const Index& robust,
    const Index& check_gridnames,
    const Verbosity& verbosity) {
  CREATE_OUT1;
  CREATE_OUT2;
  CREATE_OUT3;
 
  // For consistency with other code around arts (e.g., correlation
  // lengths in atmlab), p_step is given as log10(p[Pa]). However, we
  // convert it here to the natural log:
  const Numeric p_step = log(pow(10.0, p_step10));
 
  // Derive which abs_species is H2O (required for nonlinear species handling)
  // returns -1 if no H2O present
  const Index h2o_index = find_first_species_tg(
      abs_species, species_index_from_species_name("H2O"));
  //  cout << "The " << h2o_index+1 << ". species in abs_species is H2O\n";
  //  cout << "That is, H2O is expected to be the " << indoff+h2o_index
  //       << ". column of the atmospheric fields\n";
 
  ArrayOfIndex batch_index(abs_species.nelem());
  Index T_index = -1;
  Index z_index = -1;
 
  ArrayOfString species_names(abs_species.nelem());
  for (Index i = 0; i < abs_species.nelem(); ++i)
    species_names[i] = get_species_name(abs_species[i]);
 
  const ArrayOfString field_names = batch_fields[0].get_string_grid(0);
 
  String species_type;
  String species_name;
  const String delim = "-";
 
  // Check that the field names in batch_fields are good. (We check
  // only the first field in the batch.)
  {
    ostringstream os;
    bool bail = false;
 
    // One of the abs_species has to be H2O
    // (ideally that should be checked later, when we know whether there are
    // nonlinear species present. however, currently batch mode REQUIRES H2O to
    // be present, so we check that immediately)
    if (h2o_index < 0) {
      os << "One of the atmospheric fields must be H2O.\n";
      bail = true;
    }
 
    // First simply check dimensions of abs_species and field_names
    if (field_names.nelem() < 3) {
      os << "Atmospheric states in batch_fields must have at\n"
         << "least three fields: T, z, and at least one absorption species.";
      throw runtime_error(os.str());
    }
 
    if (abs_species.nelem() < 1) {
      os << "At least one absorption species needs to be defined "
         << "in abs_species.";
      throw runtime_error(os.str());
    }
 
    // Check that all required fields are present.
    const Index nf = field_names.nelem();
    bool found;
 
    // Looking for temperature field:
    found = false;
    for (Index fi = 0; fi < nf; ++fi) {
      parse_atmcompact_speciestype(species_type, field_names[fi], delim);
      if (species_type == "T") {
        if (found) {
          os << "Only one temperature ('T') field allowed, "
             << "but found at least 2.\n";
          bail = true;
        } else {
          found = true;
          T_index = fi;
        }
      }
    }
    if (!found) {
      os << "One temperature ('T') field required, but none found.\n";
      bail = true;
    }
 
    // Looking for altitude field:
    found = false;
    for (Index fi = 0; fi < nf; ++fi) {
      parse_atmcompact_speciestype(species_type, field_names[fi], delim);
      if (species_type == "z") {
        if (found) {
          os << "Only one altitude ('z') field allowed, "
             << "but found at least 2.\n";
          bail = true;
        } else {
          found = true;
          z_index = fi;
        }
      }
    }
    if (!found) {
      os << "One altitude ('z') field required, but none found.\n";
      bail = true;
    }
 
    // Now going over all abs_species elements and match the corresponding
    // field_name (we always take the first occurence of a matching field). We
    // don't care that batch_fields contains further fields, too. And we can't
    // expect the fields being in the same order as the abs_species.
    // At the same time, we keep the indices of the fields corresponding to the
    // abs_species elements, because later we will need the field data.
    Index fi;
    for (Index j = 0; j < abs_species.nelem(); ++j) {
      found = false;
      fi = 0;
      while (!found && fi < nf) {
        parse_atmcompact_speciestype(species_type, field_names[fi], delim);
        // do we have an abs_species type field?
        if (species_type == "abs_species") {
          parse_atmcompact_speciesname(species_name, field_names[fi], delim);
          if (species_name == species_names[j]) {
            found = true;
            batch_index[j] = fi;
          }
        }
        fi++;
      }
      if (!found) {
        os << "No field for absorption species '" << species_names[j]
           << "'found.\n";
        bail = true;
      }
    }
 
    os << "Your field names are:\n" << field_names;
 
    if (bail) throw runtime_error(os.str());
  }
 
  // FIXME: Adjustment of min/max values for Jacobian perturbations is still missing.
 
  // Make an intelligent choice for the nonlinear species.
  choose_abs_nls(abs_nls, abs_species, verbosity);
 
  // Find out maximum and minimum pressure and check that pressure grid is decreasing.
  Numeric maxp = batch_fields[0].get_numeric_grid(GFIELD4_P_GRID)[0];
  Numeric minp = batch_fields[0].get_numeric_grid(
      GFIELD4_P_GRID)[batch_fields[0].get_numeric_grid(GFIELD4_P_GRID).nelem() -
                      1];
 
  ArrayOfIndex valid_field_indices;
  for (Index i = 0; i < batch_fields.nelem(); ++i) {
    // Local variables for atmfields_check.
    Index atmfields_checked;
    Tensor4 t4_dummy;
    Tensor3 t3_dummy;
 
    Vector p_grid;
    Vector lat_grid;
    Vector lon_grid;
    Tensor3 t_field;
    Tensor3 z_field;
    Tensor4 vmr_field;
    Tensor4 particle_bulkprop_field;
    ArrayOfString particle_bulkprop_names;
    GriddedField4 atm_fields_compact;
    SpeciesAuxData partition_functions;
    Index abs_f_interp_order;
 
    // Extract fields from atmfield and check their validity.
    // This closes the loophole when only calculating lookup tables.
    atm_fields_compact = batch_fields[i];
 
    AtmFieldsAndParticleBulkPropFieldFromCompact(p_grid,
                                                 lat_grid,
                                                 lon_grid,
                                                 t_field,
                                                 z_field,
                                                 vmr_field,
                                                 particle_bulkprop_field,
                                                 particle_bulkprop_names,
                                                 abs_species,
                                                 atm_fields_compact,
                                                 atmosphere_dim,
                                                 "-",
                                                 0,
                                                 check_gridnames,
                                                 verbosity);
 
    try {
      atmfields_checkedCalc(atmfields_checked,
                            atmosphere_dim,
                            p_grid,
                            lat_grid,
                            lon_grid,
                            abs_species,
                            t_field,
                            vmr_field,
                            t3_dummy,
                            t3_dummy,
                            t3_dummy,
                            t3_dummy,
                            t3_dummy,
                            t3_dummy,
                            partition_functions,
                            abs_f_interp_order,
                            0,
                            0,
                            verbosity);
    } catch (const std::exception& e) {
      // If `robust`, skip field and continue, ...
      if (robust) {
        out1 << "  WARNING! Skipped invalid atmfield "
             << "at batch_atmfield index " << i << ".\n"
             << "The runtime error produced was:\n"
             << e.what() << "\n";
        continue;
      }
      // ... else throw an error.
      else {
        stringstream err;
        err << "Invalid atmfield at batch_atmfield index " << i << ".\n"
            << "The runtime error produced was:\n"
            << e.what() << "\n";
        throw std::runtime_error(err.str());
      }
    };
    valid_field_indices.push_back(i);  // Append index to list of valid fields.
 
    if (maxp < batch_fields[i].get_numeric_grid(GFIELD4_P_GRID)[0])
      maxp = batch_fields[i].get_numeric_grid(GFIELD4_P_GRID)[0];
    if (minp >
        batch_fields[i].get_numeric_grid(GFIELD4_P_GRID)
            [batch_fields[i].get_numeric_grid(GFIELD4_P_GRID).nelem() - 1])
      minp = batch_fields[i].get_numeric_grid(GFIELD4_P_GRID)
                 [batch_fields[i].get_numeric_grid(GFIELD4_P_GRID).nelem() - 1];
  }
  //  cout << "  minp/maxp: " << minp << " / " << maxp << "\n";
 
  // Information on the number of skipped atmospheres.
  if (batch_fields.nelem() > valid_field_indices.nelem()) {
    out1 << "  " << batch_fields.nelem() - valid_field_indices.nelem()
         << " out of " << batch_fields.nelem() << " atmospheres ignored.\n";
  }
 
  // Throw error if no atmfield passed the check.
  if (valid_field_indices.nelem() < 1) {
    stringstream err;
    err << "You need at least one valid profile.\n"
        << "It seems that no atmfield passed the checks!\n";
    throw std::runtime_error(err.str());
  }
 
  if (maxp == minp) {
    ostringstream os;
    os << "You need at least two pressure levels.";
    throw runtime_error(os.str());
  }
 
  // We construct the pressure grid as follows:
  // - Everything is done in log(p).
  // - Start with maxp and go down in steps of p_step until we are <= minp.
  // - Adjust the final pressure value to be exactly minp, otherwise
  //   we have problems in getting min, max, and mean values for this
  //   point later.
  Index np = (Index)ceil((log(maxp) - log(minp)) / p_step) + 1;
  // The +1 above has to be there because we must include also both
  // grid end points.
 
  // If np is too small for the interpolation order, we increase it:
  if (np < abs_p_interp_order + 1) np = abs_p_interp_order + 1;
 
  Vector log_abs_p(log(maxp), np, -p_step);
  log_abs_p[np - 1] = log(minp);
 
  abs_p.resize(np);
  transform(abs_p, exp, log_abs_p);
  out2 << "  abs_p: " << abs_p[0] << " Pa to " << abs_p[np - 1]
       << " Pa in log10 steps of " << p_step10 << " (" << np
       << " grid points)\n";
 
  // Now we have to determine the statistics of T and VMRs, we need
  // profiles of min, max, and mean of these, on the abs_p grid.
 
  //  Index n_variables = batch_fields[0].data.nbooks();
  // we will do statistics for data fields excluding the scat_species fields
  Index n_variables = 2 + abs_species.nelem();
 
  // The first dimension of datamin, datamax, and datamean is the
  // variable (T,Z,H2O,O3,...). The second dimension is pressure. We
  // assume all elements of the batch have the same variables.
 
  Matrix datamin(n_variables, np, numeric_limits<Numeric>::max());
  Matrix datamax(n_variables, np, numeric_limits<Numeric>::min());
  // The limits here are from the header file <limits>
  Matrix datamean(n_variables, np, 0);
  Vector mean_norm(np, 0);  // Divide by this to get mean.
 
  // We will loop over all batch cases to analyze the statistics and
  // calculate reference profiles. As a little side project, we will
  // also calculate the absolute min and max of temperature and
  // humidity. This is handy as input to abs_lookupSetupWide.
  Numeric mint = +1e99;
  Numeric maxt = -1e99;
  Numeric minh2o = +1e99;
  Numeric maxh2o = -1e99;
 
  // Loop over valid atmfields.
  for (Index vi = 0; vi < valid_field_indices.nelem(); ++vi) {
    // Get internal field index.
    Index i = valid_field_indices[vi];
 
    // Check that really each case has the same variables (see
    // comment above.)
    if (batch_fields[i].get_string_grid(GFIELD4_FIELD_NAMES) !=
        batch_fields[0].get_string_grid(GFIELD4_FIELD_NAMES))
      throw runtime_error(
          "All batch atmospheres must contain the same field names.");
 
    for (Index j = 0;
         j < batch_fields[i].get_string_grid(GFIELD4_FIELD_NAMES).nelem();
         ++j)
      if (batch_fields[i].get_string_grid(GFIELD4_FIELD_NAMES)[j] !=
          batch_fields[0].get_string_grid(GFIELD4_FIELD_NAMES)[j])
        throw runtime_error(
            "All batch atmospheres must contain the same individual field names.");
 
    // Create convenient handles:
    const Vector& p_grid = batch_fields[i].get_numeric_grid(GFIELD4_P_GRID);
    const Tensor4& data = batch_fields[i].data;
 
    // Update our global max/min values for T and H2O:
 
    // We have to loop over pressure, latitudes, and longitudes
    // here. The dimensions of data are:
    // data[N_fields][N_p][N_lat][N_lon]
 
    for (Index ip = 0; ip < data.npages(); ++ip)
      for (Index ilat = 0; ilat < data.nrows(); ++ilat)
        for (Index ilon = 0; ilon < data.ncols(); ++ilon) {
          // Field T_index is temperature:
          if (data(T_index, ip, ilat, ilon) < mint)
            mint = data(T_index, ip, ilat, ilon);
          if (data(T_index, ip, ilat, ilon) > maxt)
            maxt = data(T_index, ip, ilat, ilon);
          // Field batch_index[h2o_index] is H2O:
          if (data(batch_index[h2o_index], ip, ilat, ilon) < minh2o) {
            minh2o = data(batch_index[h2o_index], ip, ilat, ilon);
          }
          if (data(batch_index[h2o_index], ip, ilat, ilon) > maxh2o) {
            maxh2o = data(batch_index[h2o_index], ip, ilat, ilon);
          }
        }
 
    // Interpolate the current batch fields to the abs_p grid. We
    // have to do this for each batch case, since the grids could
    // all be different.
 
    Vector log_p_grid(p_grid.nelem());
    transform(log_p_grid, log, p_grid);
 
    // There is a catch here: We can only use the part of abs_p that
    // is inside the current pressure grid p_grid, otherwise we
    // would have to extrapolate.
    // The eps_bottom and eps_top account for the little bit of
    // extrapolation that is allowed.
 
    const Numeric eps_bottom = (log_p_grid[0] - log_p_grid[1]) / 2.1;
    Index first_p = 0;
    while (log_abs_p[first_p] > log_p_grid[0] + eps_bottom) ++first_p;
 
    const Numeric eps_top = (log_p_grid[log_p_grid.nelem() - 2] -
                             log_p_grid[log_p_grid.nelem() - 1]) /
                            2.1;
    Index last_p = log_abs_p.nelem() - 1;
    while (log_abs_p[last_p] < log_p_grid[log_p_grid.nelem() - 1] - eps_top)
      --last_p;
 
    const Index extent_p = last_p - first_p + 1;
 
    // This was too complicated to get right:
    //      const Index first_p   = (Index) round ( (log_abs_p[0]       - log_p_grid[0])                    / p_step);
    //      const Index extent_p  = (Index) round ( (log_abs_p[first_p] - log_p_grid[log_p_grid.nelem()-1]) / p_step) + 1;
 
    ConstVectorView active_log_abs_p = log_abs_p[Range(first_p, extent_p)];
 
    //       cout << "first_p / last_p / extent_p : " << first_p << " / " << last_p << " / " << extent_p << "\n";
    //       cout << "log_p_grid: "        << log_p_grid << "\n";
    //       cout << "log_abs_p:  "        << log_abs_p << "\n";
    //       cout << "active_log_abs_p:  " << active_log_abs_p << "\n";
    //       cout << "=============================================================\n";
    //       arts_exit();
 
    // Grid positions:
    ArrayOfGridPos gp(active_log_abs_p.nelem());
    gridpos(gp, log_p_grid, active_log_abs_p);
    //      gridpos(gp, log_p_grid, active_log_abs_p, 100);
    // We allow much more extrapolation here than normal (0.5 is
    // normal). If we do not do this, then we get problems for
    // p_grids that are much finer than abs_p.
 
    // Interpolation weights:
    Matrix itw(gp.nelem(), 2);
    interpweights(itw, gp);
 
    // We have to loop over fields, latitudes, and longitudes here, doing the
    // pressure interpolation for all. The dimensions of data are:
    // data[N_fields][N_p][N_lat][N_lon]
    // For data_interp we reduce data by the particle related fields, i.e.,
    // the ones in between the first two and the last N=abs_species.nelem().
    //      Tensor4 data_interp(data.nbooks(),
    Tensor4 data_interp(
        n_variables, active_log_abs_p.nelem(), data.nrows(), data.ncols());
 
    for (Index lo = 0; lo < data.ncols(); ++lo)
      for (Index la = 0; la < data.nrows(); ++la) {
        //          for (Index fi=0; fi<data.nbooks(); ++fi)
        // we have to handle T/z and abs_species parts separately since they
        // can have scat_species in between, which we want to ignore
        interp(data_interp(0, joker, la, lo),
               itw,
               data(T_index, joker, la, lo),
               gp);
        interp(data_interp(1, joker, la, lo),
               itw,
               data(z_index, joker, la, lo),
               gp);
        for (Index fi = 0; fi < abs_species.nelem(); ++fi)
          interp(data_interp(fi + 2, joker, la, lo),
                 itw,
                 data(batch_index[fi], joker, la, lo),
                 gp);
      }
 
    // Now update our datamin, datamax, and datamean variables.
    // We need the min and max only for the T and H2O profile,
    // not for others. But we need the mean for all. We are just
    // hopping over the case that we do not need below. This is not
    // very clean, but efficient. And it avoids handling all the
    // different cases explicitly.
    for (Index lo = 0; lo < data_interp.ncols(); ++lo)
      for (Index la = 0; la < data_interp.nrows(); ++la) {
        for (Index fi = 0; fi < data_interp.nbooks(); ++fi) {
          if (1 != fi)  // We skip the z field, which we do not need
            for (Index pr = 0; pr < data_interp.npages(); ++pr) {
              // Min and max only needed for T and H2o
              if (0 == fi || (h2o_index + 2) == fi) {
                if (data_interp(fi, pr, la, lo) < datamin(fi, first_p + pr))
                  datamin(fi, first_p + pr) = data_interp(fi, pr, la, lo);
                if (data_interp(fi, pr, la, lo) > datamax(fi, first_p + pr))
                  datamax(fi, first_p + pr) = data_interp(fi, pr, la, lo);
              }
 
              datamean(fi, first_p + pr) += data_interp(fi, pr, la, lo);
            }
        }
 
        // The mean_norm is actually a bit tricky. It depends on
        // pressure, since different numbers of cases contribute
        // to the mean for different pressures. At the very eges
        // of the grid, typically only a single case contributes.
 
        mean_norm[Range(first_p, extent_p)] += 1;
      }
  }
 
  out2 << "  Global statistics:\n"
       << "  min(p)   / max(p)   [Pa]:  " << minp << " / " << maxp << "\n"
       << "  min(T)   / max(T)   [K]:   " << mint << " / " << maxt << "\n"
       << "  min(H2O) / max(H2O) [VMR]: " << minh2o << " / " << maxh2o << "\n";
 
  // Divide mean by mean_norm to get the mean:
  assert(np == mean_norm.nelem());
  for (Index fi = 0; fi < datamean.nrows(); ++fi)
    if (1 != fi)  // We skip the z field, which we do not need
      for (Index pi = 0; pi < np; ++pi) {
        // We do this in an explicit loop here, since we have to
        // check whether there really were data points to calculate
        // the mean at each level.
        if (0 < mean_norm[pi])
          datamean(fi, pi) /= mean_norm[pi];
        else {
          ostringstream os;
          os << "No data at pressure level " << pi + 1 << " of " << np << " ("
             << abs_p[pi] << " hPa).";
          throw runtime_error(os.str());
        }
      }
 
  // If we do higher order pressure interpolation, then we should
  // smooth the reference profiles with a boxcar filter of width
  // p_interp_order+1. Otherwise we get numerical problems if there
  // are any sharp spikes in the reference profiles.
  assert(log_abs_p.nelem() == np);
  Matrix smooth_datamean(datamean.nrows(), datamean.ncols(), 0);
  for (Index i = 0; i < np; ++i) {
    GridPosPoly gp;
    gridpos_poly(gp, log_abs_p, log_abs_p[i], abs_p_interp_order);
 
    // We do this in practice by using the indices returned by
    // gridpos_poly. We simply take a mean over all points that
    // would be used in the interpolation.
 
    for (Index fi = 0; fi < datamean.nrows(); ++fi)
      if (1 != fi)  // We skip the z field, which we do not need
      {
        for (Index j = 0; j < gp.idx.nelem(); ++j) {
          smooth_datamean(fi, i) += datamean(fi, gp.idx[j]);
        }
        smooth_datamean(fi, i) /= (Numeric)gp.idx.nelem();
      }
    //       cout << "H2O-raw / H2O-smooth: "
    //            << datamean(h2o_index+2,i) << " / "
    //            << smooth_datamean(h2o_index+2,i) << "\n";
  }
 
  // There is another complication: If the (smoothed) mean for the H2O
  // reference profile is 0, then we have to adjust both mean and max
  // value to a non-zero number, otherwise the reference profile will
  // be zero, and we will get numerical problems later on when we
  // divide by the reference value. So, we set it here to 1e-9.
  for (Index i = 0; i < np; ++i) {
    // Assert that really H2O has index batch_index[h2o_index] VMR field list
    // and h2o_index in abs_species
    parse_atmcompact_speciestype(
        species_type, field_names[batch_index[h2o_index]], delim);
    assert(species_type == "abs_species");
    parse_atmcompact_speciesname(
        species_name, field_names[batch_index[h2o_index]], delim);
    assert("H2O" == species_name);
    assert("H2O" == species_names[h2o_index]);
 
    // Find mean and max H2O for this level:
    Numeric& mean_h2o = smooth_datamean(h2o_index + 2, i);
    Numeric& max_h2o = datamax(h2o_index + 2, i);
    if (mean_h2o <= 0) {
      mean_h2o = 1e-9;
      max_h2o = 1e-9;
      out3 << "  H2O profile contained zero values, adjusted to 1e-9.\n";
    }
  }
 
  // Set abs_t:
  abs_t.resize(np);
  abs_t = smooth_datamean(0, joker);
  //   cout << "abs_t: " << abs_t << "\n\n";
  //   cout << "tmin:  " << datamin(0,joker) << "\n\n";
  //   cout << "tmax:  " << datamax(0,joker) << "\n";
 
  // Set abs_vmrs:
  assert(abs_species.nelem() == smooth_datamean.nrows() - 2);
  abs_vmrs.resize(abs_species.nelem(), np);
  abs_vmrs = smooth_datamean(Range(2, abs_species.nelem()), joker);
  //  cout << "\n\nabs_vmrs: " << abs_vmrs << "\n\n";
 
  // Construct abs_t_pert:
  ConstVectorView tmin = datamin(0, joker);
  ConstVectorView tmax = datamax(0, joker);
  choose_abs_t_pert(abs_t_pert,
                    abs_t,
                    tmin,
                    tmax,
                    t_step,
                    abs_p_interp_order,
                    abs_t_interp_order,
                    verbosity);
  //  cout << "abs_t_pert: " << abs_t_pert << "\n";
 
  // Construct abs_nls_pert:
  ConstVectorView h2omin = datamin(h2o_index + 2, joker);
  ConstVectorView h2omax = datamax(h2o_index + 2, joker);
  choose_abs_nls_pert(abs_nls_pert,
                      abs_vmrs(h2o_index, joker),
                      h2omin,
                      h2omax,
                      h2o_step,
                      abs_p_interp_order,
                      abs_nls_interp_order,
                      verbosity);
  //  cout << "abs_nls_pert: " << abs_nls_pert << "\n";
 
  // Append the explicitly given user extreme values, if necessary:
  if (0 != extremes.nelem()) {
    // There must be 4 values in this case: t_min, t_max, h2o_min, h2o_max
    if (4 != extremes.nelem()) {
      ostringstream os;
      os << "There must be exactly 4 elements in extremes:\n"
         << "min(abs_t_pert), max(abs_t_pert), min(abs_nls_pert), max(abs_nls_pert)";
      throw runtime_error(os.str());
    }
 
    // t_min:
    if (extremes[0] < abs_t_pert[0]) {
      Vector dummy = abs_t_pert;
      abs_t_pert.resize(abs_t_pert.nelem() + 1);
      abs_t_pert[0] = extremes[0];
      abs_t_pert[Range(1, dummy.nelem())] = dummy;
      out2 << "  Added min extreme value for abs_t_pert: " << abs_t_pert[0]
           << "\n";
    }
 
    // t_max:
    if (extremes[1] > abs_t_pert[abs_t_pert.nelem() - 1]) {
      Vector dummy = abs_t_pert;
      abs_t_pert.resize(abs_t_pert.nelem() + 1);
      abs_t_pert[Range(0, dummy.nelem())] = dummy;
      abs_t_pert[abs_t_pert.nelem() - 1] = extremes[1];
      out2 << "  Added max extreme value for abs_t_pert: "
           << abs_t_pert[abs_t_pert.nelem() - 1] << "\n";
    }
 
    // nls_min:
    if (extremes[2] < abs_nls_pert[0]) {
      Vector dummy = abs_nls_pert;
      abs_nls_pert.resize(abs_nls_pert.nelem() + 1);
      abs_nls_pert[0] = extremes[2];
      abs_nls_pert[Range(1, dummy.nelem())] = dummy;
      out2 << "  Added min extreme value for abs_nls_pert: " << abs_nls_pert[0]
           << "\n";
    }
 
    // nls_max:
    if (extremes[3] > abs_nls_pert[abs_nls_pert.nelem() - 1]) {
      Vector dummy = abs_nls_pert;
      abs_nls_pert.resize(abs_nls_pert.nelem() + 1);
      abs_nls_pert[Range(0, dummy.nelem())] = dummy;
      abs_nls_pert[abs_nls_pert.nelem() - 1] = extremes[3];
      out2 << "  Added max extreme value for abs_nls_pert: "
           << abs_nls_pert[abs_nls_pert.nelem() - 1] << "\n";
    }
  }
}
 
void abs_lookupSetupWide(  // WS Output:
    Vector& abs_p,
    Vector& abs_t,
    Vector& abs_t_pert,
    Matrix& abs_vmrs,
    ArrayOfArrayOfSpeciesTag& abs_nls,
    Vector& abs_nls_pert,
    // WS Input:
    const ArrayOfArrayOfSpeciesTag& abs_species,
    const Index& abs_p_interp_order,
    const Index& abs_t_interp_order,
    const Index& abs_nls_interp_order,
    // Control Parameters:
    const Numeric& p_min,
    const Numeric& p_max,
    const Numeric& p_step10,
    const Numeric& t_min,
    const Numeric& t_max,
    const Numeric& h2o_min,
    const Numeric& h2o_max,
    const Verbosity& verbosity) {
  CREATE_OUT2;
 
  // For consistency with other code around arts (e.g., correlation
  // lengths in atmlab), p_step is given as log10(p[Pa]). However, we
  // convert it here to the natural log:
  const Numeric p_step = log(pow(10.0, p_step10));
 
  // Make an intelligent choice for the nonlinear species.
  choose_abs_nls(abs_nls, abs_species, verbosity);
 
  // 1. Fix pressure grid abs_p
  // --------------------------
 
  // We construct the pressure grid as follows:
  // - Everything is done in log(p).
  // - Start with p_max and go down in steps of p_step until we are <= p_min.
 
  Index np = (Index)ceil((log(p_max) - log(p_min)) / p_step) + 1;
  // The +1 above has to be there because we must include also both
  // grid end points.
 
  // If np is too small for the interpolation order, we increase it:
  if (np < abs_p_interp_order + 1) np = abs_p_interp_order + 1;
 
  Vector log_abs_p(log(p_max), np, -p_step);
 
  abs_p.resize(np);
  transform(abs_p, exp, log_abs_p);
  out2 << "  abs_p: " << abs_p[0] << " Pa to " << abs_p[np - 1]
       << " Pa in log10 steps of " << p_step10 << " (" << np
       << " grid points)\n";
 
  // 2. Fix reference temperature profile abs_t and temperature perturbations
  // ------------------------------------------------------------------------
 
  // We simply take a constant reference profile.
 
  Numeric t_ref = (t_min + t_max) / 2;
 
  abs_t.resize(np);
  abs_t = t_ref;  // Assign same value to all elements.
 
  // We have to make vectors out of t_min and t_max, so we can use
  // them in the choose_abs_t_pert function call:
  Vector min_prof(np), max_prof(np);
  min_prof = t_min;
  max_prof = t_max;
 
  // Chose temperature perturbations:
  choose_abs_t_pert(abs_t_pert,
                    abs_t,
                    min_prof,
                    max_prof,
                    20,
                    abs_p_interp_order,
                    abs_t_interp_order,
                    verbosity);
 
  // 3. Fix reference H2O profile and abs_nls_pert
  // ---------------------------------------------
 
  // We take a constant reference profile of 1000ppm (=1e-3) for H2O
  Numeric const h2o_ref = 1e-3;
 
  // And 1 ppt (1e-9) as default for all VMRs
  Numeric const other_ref = 1e-9;
 
  // We have to assign this value to all pressures of the H2O profile,
  // and 0 to all other profiles.
 
  // abs_vmrs has dimension [n_species, np].
  abs_vmrs.resize(abs_species.nelem(), np);
  abs_vmrs = other_ref;
 
  // We look for O2 and N2, and assign constant values to them.
  // The values are from Wallace&Hobbs, 2nd edition.
 
  const Index o2_index =
      find_first_species_tg(abs_species, species_index_from_species_name("O2"));
  if (o2_index >= 0) {
    abs_vmrs(o2_index, joker) = 0.2095;
  }
 
  const Index n2_index =
      find_first_species_tg(abs_species, species_index_from_species_name("N2"));
  if (n2_index >= 0) {
    abs_vmrs(n2_index, joker) = 0.7808;
  }
 
  // Which species is H2O?
  const Index h2o_index = find_first_species_tg(
      abs_species, species_index_from_species_name("H2O"));
 
  // The function returns "-1" if there is no H2O
  // species.
  if (0 < abs_nls.nelem()) {
    if (h2o_index < 0) {
      ostringstream os;
      os << "Some of your species require nonlinear treatment,\n"
         << "but you have no H2O species.";
      throw runtime_error(os.str());
    }
 
    // Assign constant reference value to all H2O levels:
    abs_vmrs(h2o_index, joker) = h2o_ref;
 
    // We have to make vectors out of h2o_min and h2o_max, so we can use
    // them in the choose_abs_nls_pert function call.
    // We re-use the vectors min_prof and max_prof that we have
    // defined above.
    min_prof = h2o_min;
    max_prof = h2o_max;
 
    // Construct abs_nls_pert:
    choose_abs_nls_pert(abs_nls_pert,
                        abs_vmrs(h2o_index, joker),
                        min_prof,
                        max_prof,
                        1e99,
                        abs_p_interp_order,
                        abs_nls_interp_order,
                        verbosity);
  } else {
    CREATE_OUT1;
    out1 << "  WARNING:\n"
         << "  You have no species that require H2O variations.\n"
         << "  This case might work, but it has never been tested.\n"
         << "  Please test it, then remove this warning.\n";
  }
}
 
/* Workspace method: Doxygen documentation will be auto-generated */
void abs_speciesAdd(  // WS Output:
    ArrayOfArrayOfSpeciesTag& abs_species,
    Index& propmat_clearsky_agenda_checked,
    Index& abs_xsec_agenda_checked,
    // Control Parameters:
    const ArrayOfString& names,
    const Verbosity& verbosity) {
  CREATE_OUT3;
 
  // Invalidate agenda check flags
  propmat_clearsky_agenda_checked = false;
  abs_xsec_agenda_checked = false;
 
  // Size of initial array
  Index n_gs = abs_species.nelem();
 
  // Temporary ArrayOfSpeciesTag
  ArrayOfSpeciesTag temp;
 
  // Each element of the array of Strings names defines one tag
  // group. Let's work through them one by one.
  for (Index i = 0; i < names.nelem(); ++i) {
    array_species_tag_from_string(temp, names[i]);
    abs_species.push_back(temp);
  }
 
  check_abs_species(abs_species);
 
  // Print list of tag groups to the most verbose output stream:
  out3 << "  Added tag groups:";
  for (Index i = n_gs; i < abs_species.nelem(); ++i) {
    out3 << "\n  " << i << ":";
    for (Index s = 0; s < abs_species[i].nelem(); ++s) {
      out3 << " " << abs_species[i][s].Name();
    }
  }
  out3 << '\n';
}
 
/* Workspace method: Doxygen documentation will be auto-generated */
void abs_speciesAdd2(  // WS Output:
    Workspace& ws,
    ArrayOfArrayOfSpeciesTag& abs_species,
    ArrayOfRetrievalQuantity& jq,
    Agenda& jacobian_agenda,
    Index& propmat_clearsky_agenda_checked,
    Index& abs_xsec_agenda_checked,
    // WS Input:
    const Index& atmosphere_dim,
    const Vector& p_grid,
    const Vector& lat_grid,
    const Vector& lon_grid,
    // WS Generic Input:
    const Vector& rq_p_grid,
    const Vector& rq_lat_grid,
    const Vector& rq_lon_grid,
    // Control Parameters:
    const String& species,
    const String& mode,
    const Verbosity& verbosity) {
  CREATE_OUT3;
 
  // Invalidate agenda check flags
  propmat_clearsky_agenda_checked = false;
  abs_xsec_agenda_checked = false;
 
  // Add species to *abs_species*
  ArrayOfSpeciesTag tags;
  array_species_tag_from_string(tags, species);
  abs_species.push_back(tags);
 
  check_abs_species(abs_species);
 
  // Print list of added tag group to the most verbose output stream:
  out3 << "  Appended tag group:";
  out3 << "\n  " << abs_species.nelem() - 1 << ":";
  for (Index s = 0; s < tags.nelem(); ++s) {
    out3 << " " << tags[s].Name();
  }
  out3 << '\n';
 
  // Do retrieval part
  jacobianAddAbsSpecies(ws,
                        jq,
                        jacobian_agenda,
                        atmosphere_dim,
                        p_grid,
                        lat_grid,
                        lon_grid,
                        rq_p_grid,
                        rq_lat_grid,
                        rq_lon_grid,
                        species,
                        mode,
                        1,
                        verbosity);
}
 
/* Workspace method: Doxygen documentation will be auto-generated */
void abs_speciesInit(ArrayOfArrayOfSpeciesTag& abs_species, const Verbosity&) {
  abs_species.resize(0);
}
 
/* Workspace method: Doxygen documentation will be auto-generated */
void abs_speciesSet(  // WS Output:
    ArrayOfArrayOfSpeciesTag& abs_species,
    Index& abs_xsec_agenda_checked,
    Index& propmat_clearsky_agenda_checked,
    // Control Parameters:
    const ArrayOfString& names,
    const Verbosity& verbosity) {
  CREATE_OUT3;
 
  // Invalidate agenda check flags
  propmat_clearsky_agenda_checked = false;
  abs_xsec_agenda_checked = false;
 
  abs_species.resize(names.nelem());
 
  //cout << "Names: " << names << "\n";
 
  // Each element of the array of Strings names defines one tag
  // group. Let's work through them one by one.
  for (Index i = 0; i < names.nelem(); ++i) {
    // This part has now been moved to array_species_tag_from_string.
    // Call this function.
    array_species_tag_from_string(abs_species[i], names[i]);
  }
 
  check_abs_species(abs_species);
 
  // Print list of tag groups to the most verbose output stream:
  out3 << "  Defined tag groups: ";
  for (Index i = 0; i < abs_species.nelem(); ++i) {
    out3 << "\n  " << i << ":";
    for (Index s = 0; s < abs_species[i].nelem(); ++s)
      out3 << " " << abs_species[i][s].Name();
  }
  out3 << '\n';
}
 
/* Workspace method: Doxygen documentation will be auto-generated */
void abs_lookupAdapt(GasAbsLookup& abs_lookup,
                     Index& abs_lookup_is_adapted,
                     const ArrayOfArrayOfSpeciesTag& abs_species,
                     const Vector& f_grid,
                     const Verbosity& verbosity) {
  abs_lookup.Adapt(abs_species, f_grid, verbosity);
  abs_lookup_is_adapted = 1;
}
 
/* Workspace method: Doxygen documentation will be auto-generated */
void propmat_clearskyAddFromLookup(
    ArrayOfPropagationMatrix& propmat_clearsky,
    ArrayOfPropagationMatrix& dpropmat_clearsky_dx,
    const GasAbsLookup& abs_lookup,
    const Index& abs_lookup_is_adapted,
    const Index& abs_p_interp_order,
    const Index& abs_t_interp_order,
    const Index& abs_nls_interp_order,
    const Index& abs_f_interp_order,
    const Vector& f_grid,
    const Numeric& a_pressure,
    const Numeric& a_temperature,
    const Vector& a_vmr_list,
    const ArrayOfRetrievalQuantity& jacobian_quantities,
    const Numeric& extpolfac,
    const Verbosity& verbosity) {
  CREATE_OUT3;
 
  // Variables needed by abs_lookup.Extract:
  Matrix abs_scalar_gas, dabs_scalar_gas_df, dabs_scalar_gas_dt;
 
  // Check if the table has been adapted:
  if (1 != abs_lookup_is_adapted)
    throw runtime_error(
        "Gas absorption lookup table must be adapted,\n"
        "use method abs_lookupAdapt.");
 
  const bool do_jac = supports_lookup(jacobian_quantities);
  const bool do_freq_jac = do_frequency_jacobian(jacobian_quantities);
  const bool do_temp_jac = do_temperature_jacobian(jacobian_quantities);
  const Numeric df = frequency_perturbation(jacobian_quantities);
  const Numeric dt = temperature_perturbation(jacobian_quantities);
  const ArrayOfIndex jacobian_quantities_position =
      equivalent_propmattype_indexes(jacobian_quantities);
 
  // The combination of doing frequency jacobian together with an
  // absorption lookup table is quite dangerous. If the frequency
  // interpolation order for the table is zero, the Jacobian will be
  // zero, and the cause for this may be difficult for a user to
  // find. So we do not allow this combination.
  if (do_freq_jac and (1 > abs_f_interp_order))
    throw std::runtime_error("Wind/frequency Jacobian is not possible without at least first\n"
                             "order frequency interpolation in the lookup table.  Please use\n"
                             "abs_f_interp_order>0 or remove wind/frequency Jacobian.");
  
  // The function we are going to call here is one of the few helper
  // functions that adjust the size of their output argument
  // automatically.
  abs_lookup.Extract(abs_scalar_gas,
                     abs_p_interp_order,
                     abs_t_interp_order,
                     abs_nls_interp_order,
                     abs_f_interp_order,
                     a_pressure,
                     a_temperature,
                     a_vmr_list,
                     f_grid,
                     extpolfac);
  if (do_freq_jac) {
    Vector dfreq = f_grid;
    dfreq += df;
    abs_lookup.Extract(dabs_scalar_gas_df,
                       abs_p_interp_order,
                       abs_t_interp_order,
                       abs_nls_interp_order,
                       abs_f_interp_order,
                       a_pressure,
                       a_temperature,
                       a_vmr_list,
                       dfreq,
                       extpolfac);
  }
  if (do_temp_jac) {
    const Numeric dtemp = a_temperature + dt;
    abs_lookup.Extract(dabs_scalar_gas_dt,
                       abs_p_interp_order,
                       abs_t_interp_order,
                       abs_nls_interp_order,
                       abs_f_interp_order,
                       a_pressure,
                       dtemp,
                       a_vmr_list,
                       f_grid,
                       extpolfac);
  }
 
  // Now add to the right place in the absorption matrix.
 
  if (not do_jac) {
    for (Index ii = 0; ii < propmat_clearsky.nelem(); ii++) {
      propmat_clearsky[ii].Kjj() += abs_scalar_gas(ii, joker);
    }
  } else {
    for (Index isp = 0; isp < propmat_clearsky.nelem(); isp++) {
      propmat_clearsky[isp].Kjj() += abs_scalar_gas(isp, joker);
 
      for (Index iv = 0; iv < propmat_clearsky[isp].NumberOfFrequencies();
           iv++) {
        for (Index iq = 0; iq < jacobian_quantities_position.nelem(); iq++) {
          if (jacobian_quantities[jacobian_quantities_position[iq]] ==
              JacPropMatType::Temperature) {
            dpropmat_clearsky_dx[iq].Kjj()[iv] +=
                (dabs_scalar_gas_dt(isp, iv) - abs_scalar_gas(isp, iv)) / dt;
          } else if (is_frequency_parameter(
                         jacobian_quantities
                             [jacobian_quantities_position[iq]])) {
            dpropmat_clearsky_dx[iq].Kjj()[iv] +=
                (dabs_scalar_gas_df(isp, iv) - abs_scalar_gas(isp, iv)) / df;
          } else if (jacobian_quantities[jacobian_quantities_position[iq]] ==
                     JacPropMatType::VMR) {
            if (jacobian_quantities[jacobian_quantities_position[iq]]
                    .QuantumIdentity()
                    .Species() not_eq abs_lookup.GetSpeciesIndex(isp))
              continue;  // FIXME?:  Ignoring isotopologue???
 
            // WARNING:  If CIA in list, this scales wrong by factor 2
            dpropmat_clearsky_dx[iq].Kjj()[iv] +=
                abs_scalar_gas(isp, iv) / a_vmr_list[isp];
          }
        }
      }
    }
  }
}
 
/* Workspace method: Doxygen documentation will be auto-generated */
void propmat_clearsky_fieldCalc(Workspace& ws,
                                // WS Output:
                                Tensor7& propmat_clearsky_field,
                                Tensor6& nlte_source_field,
                                // WS Input:
                                const Index& atmfields_checked,
                                const Vector& f_grid,
                                const Index& stokes_dim,
                                const Vector& p_grid,
                                const Vector& lat_grid,
                                const Vector& lon_grid,
                                const Tensor3& t_field,
                                const Tensor4& vmr_field,
                                const EnergyLevelMap& nlte_field,
                                const Tensor3& mag_u_field,
                                const Tensor3& mag_v_field,
                                const Tensor3& mag_w_field,
                                const Agenda& abs_agenda,
                                // WS Generic Input:
                                const Vector& doppler,
                                const Vector& los,
                                const Verbosity& verbosity) {
  CREATE_OUT2;
  CREATE_OUT3;
 
  chk_if_in_range("stokes_dim", stokes_dim, 1, 4);
  if (atmfields_checked != 1)
    throw runtime_error(
        "The atmospheric fields must be flagged to have "
        "passed a consistency check (atmfields_checked=1).");
 
  ArrayOfPropagationMatrix partial_abs;
  ArrayOfStokesVector partial_nlte_source,
      nlte_partial_source;  // FIXME: This is not stored!
  ArrayOfPropagationMatrix abs;
  ArrayOfStokesVector nlte;
  Vector a_vmr_list;
  EnergyLevelMap a_nlte_list;
 
  // Get the number of species from the leading dimension of vmr_field:
  const Index n_species = vmr_field.nbooks();
 
  // Number of frequencies:
  const Index n_frequencies = f_grid.nelem();
 
  // Number of pressure levels:
  const Index n_pressures = p_grid.nelem();
 
  // Number of latitude grid points (must be at least one):
  const Index n_latitudes = max(Index(1), lat_grid.nelem());
 
  // Number of longitude grid points (must be at least one):
  const Index n_longitudes = max(Index(1), lon_grid.nelem());
 
  // Check that doppler is empty or matches p_grid
  if (0 != doppler.nelem() && p_grid.nelem() != doppler.nelem()) {
    ostringstream os;
    os << "Variable doppler must either be empty, or match the dimension of "
       << "p_grid.";
    throw runtime_error(os.str());
  }
 
  // Resize output field.
  // The dimension in lat and lon must be at least one, even if these
  // grids are empty.
  out2 << "  Creating propmat field with dimensions:\n"
       << "    " << n_species << "   gas species,\n"
       << "    " << n_frequencies << "   frequencies,\n"
       << "    " << stokes_dim << "   stokes dimension,\n"
       << "    " << stokes_dim << "   stokes dimension,\n"
       << "    " << n_pressures << "   pressures,\n"
       << "    " << n_latitudes << "   latitudes,\n"
       << "    " << n_longitudes << "   longitudes.\n";
 
  propmat_clearsky_field.resize(n_species,
                                n_frequencies,
                                stokes_dim,
                                stokes_dim,
                                n_pressures,
                                n_latitudes,
                                n_longitudes);
  if (nlte_field.Data().empty()) {
    out2 << "  Creating source field with dimensions:\n"
         << "    " << n_species << "   gas species,\n"
         << "    " << n_frequencies << "   frequencies,\n"
         << "    " << stokes_dim << "   stokes dimension,\n"
         << "    " << n_pressures << "   pressures,\n"
         << "    " << n_latitudes << "   latitudes,\n"
         << "    " << n_longitudes << "   longitudes.\n";
    nlte_source_field.resize(n_species,
                             n_frequencies,
                             stokes_dim,
                             n_pressures,
                             n_latitudes,
                             n_longitudes);
  } else {
    out2 << "  Creating source field with dimensions:\n"
         << "    " << 0 << "   gas species,\n"
         << "    " << 0 << "   frequencies,\n"
         << "    " << 0 << "   stokes dimension,\n"
         << "    " << 0 << "   pressures,\n"
         << "    " << 0 << "   latitudes,\n"
         << "    " << 0 << "   longitudes.\n";
    nlte_source_field.resize(0, 0, 0, 0, 0, 0);
  }
 
  // We have to make a local copy of the Workspace and the agendas because
  // only non-reference types can be declared firstprivate in OpenMP
  Workspace l_ws(ws);
  Agenda l_abs_agenda(abs_agenda);
 
  String fail_msg;
  bool failed = false;
 
  // Make local copy of f_grid, so that we can apply Dopler if we want.
  Vector this_f_grid = f_grid;
 
  // Now we have to loop all points in the atmosphere:
  if (n_pressures)
#pragma omp parallel for if (!arts_omp_in_parallel() &&                        \
                             n_pressures >= arts_omp_get_max_threads())        \
    firstprivate(l_ws, l_abs_agenda, this_f_grid) private(abs,                 \
                                                          nlte,                \
                                                          partial_abs,         \
                                                          partial_nlte_source, \
                                                          nlte_partial_source, \
                                                          a_vmr_list)
    for (Index ipr = 0; ipr < n_pressures; ++ipr)  // Pressure:  ipr
    {
      // Skip remaining iterations if an error occurred
      if (failed) continue;
 
      // The try block here is necessary to correctly handle
      // exceptions inside the parallel region.
      try {
        Numeric a_pressure = p_grid[ipr];
 
        if (0 != doppler.nelem()) {
          this_f_grid = f_grid;
          this_f_grid += doppler[ipr];
        }
 
        {
          ostringstream os;
          os << "  p_grid[" << ipr << "] = " << a_pressure << "\n";
          out3 << os.str();
        }
 
        for (Index ila = 0; ila < n_latitudes; ++ila)     // Latitude:  ila
          for (Index ilo = 0; ilo < n_longitudes; ++ilo)  // Longitude: ilo
          {
            Numeric a_temperature = t_field(ipr, ila, ilo);
            a_vmr_list = vmr_field(Range(joker), ipr, ila, ilo);
            if (!nlte_field.Data().empty())
              a_nlte_list = nlte_field(ipr, ila, ilo);
 
            Vector this_rtp_mag(3, 0.);
 
            if (mag_u_field.npages() != 0) {
              this_rtp_mag[0] = mag_u_field(ipr, ila, ilo);
            }
            if (mag_v_field.npages() != 0) {
              this_rtp_mag[1] = mag_v_field(ipr, ila, ilo);
            }
            if (mag_w_field.npages() != 0) {
              this_rtp_mag[2] = mag_w_field(ipr, ila, ilo);
            }
 
            // Execute agenda to calculate local absorption.
            // Agenda input:  f_index, a_pressure, a_temperature, a_vmr_list
            // Agenda output: abs, nlte
            propmat_clearsky_agendaExecute(l_ws,
                                           abs,
                                           nlte,
                                           partial_abs,
                                           partial_nlte_source,
                                           nlte_partial_source,
                                           ArrayOfRetrievalQuantity(0),
                                           this_f_grid,
                                           this_rtp_mag,
                                           los,
                                           a_pressure,
                                           a_temperature,
                                           a_nlte_list,
                                           a_vmr_list,
                                           l_abs_agenda);
 
            // Verify, that the number of elements in abs matrix is
            // constistent with stokes_dim:
            if (abs.nelem() > 0) {
              if (stokes_dim != abs[0].StokesDimensions()) {
                ostringstream os;
                os << "propmat_clearsky_fieldCalc was called with stokes_dim = "
                   << stokes_dim << ",\n"
                   << "but the stokes_dim returned by the agenda is "
                   << abs[0].StokesDimensions() << ".";
                throw runtime_error(os.str());
              }
            }
 
            // Verify, that the number of species in abs is
            // constistent with vmr_field:
            if (n_species != abs.nelem()) {
              ostringstream os;
              os << "The number of gas species in vmr_field is " << n_species
                 << ",\n"
                 << "but the number of species returned by the agenda is "
                 << abs.nelem() << ".";
              throw runtime_error(os.str());
            }
 
            // Verify, that the number of frequencies in abs is
            // constistent with f_extent:
            if (abs.nelem() > 0) {
              if (n_frequencies != abs[0].NumberOfFrequencies()) {
                ostringstream os;
                os << "The number of frequencies desired is " << n_frequencies
                   << ",\n"
                   << "but the number of frequencies returned by the agenda is "
                   << abs[0].NumberOfFrequencies() << ".";
                throw runtime_error(os.str());
              }
            }
 
            // Store the result in output field.
            // We have to transpose abs, because the dimensions of the
            // two variables are:
            // abs_field: [abs_species, f_grid, stokes, stokes, p_grid, lat_grid, lon_grid]
            // abs:       [abs_species][f_grid, stokes, stokes]
            for (Index i = 0; i < abs.nelem(); i++) {
              abs[i].GetTensor3(propmat_clearsky_field(
                  i, joker, joker, joker, ipr, ila, ilo));
 
              if (not nlte_field.Data().empty()) {
                //If some are NLTE and others not, this might be bad...
                nlte_source_field(i, joker, joker, ipr, ila, ilo) =
                nlte[i].Data()(0, 0, joker, joker);
              }
            }
          }
      } catch (const std::runtime_error& e) {
#pragma omp critical(propmat_clearsky_fieldCalc_fail)
        {
          fail_msg = e.what();
          failed = true;
        }
      }
    }
 
  if (failed) throw runtime_error(fail_msg);
}
 
/* Workspace method: Doxygen documentation will be auto-generated */
void f_gridFromGasAbsLookup(Vector& f_grid,
                            const GasAbsLookup& abs_lookup,
                            const Verbosity&) {
  const Vector& lookup_f_grid = abs_lookup.GetFgrid();
  f_grid.resize(lookup_f_grid.nelem());
  f_grid = lookup_f_grid;
}
 
/* Workspace method: Doxygen documentation will be auto-generated */
void p_gridFromGasAbsLookup(Vector& p_grid,
                            const GasAbsLookup& abs_lookup,
                            const Verbosity&) {
  const Vector& lookup_p_grid = abs_lookup.GetPgrid();
  p_grid.resize(lookup_p_grid.nelem());
  p_grid = lookup_p_grid;
}
 
 
Numeric calc_lookup_error(  // Parameters for lookup table:
    Workspace& ws,
    const GasAbsLookup& al,
    const Index& abs_p_interp_order,
    const Index& abs_t_interp_order,
    const Index& abs_nls_interp_order,
    const bool ignore_errors,
    // Parameters for LBL:
    const Agenda& abs_xsec_agenda,
    // Parameters for both:
    const Numeric& local_p,
    const Numeric& local_t,
    const Vector& local_vmrs,
    const Verbosity& verbosity) {
  // Allocate some matrices. I also tried allocating these (and the
  // vectors below) outside, but there was no significant speed
  // advantage. (I guess the LBL calculation is expensive enough to
  // make the extra time of allocation here insignificant.)
  Matrix sga_tab;  // Absorption, dimension [n_species,n_f_grid]:
  const EnergyLevelMap local_nlte_dummy;
 
  // Do lookup table first:
 
  try {
    // Absorption, dimension [n_species,n_f_grid]:
    // Output variable: sga_tab
    al.Extract(sga_tab,
               abs_p_interp_order,
               abs_t_interp_order,
               abs_nls_interp_order,
               0,  // f_interp_order
               local_p,
               local_t,
               local_vmrs,
               al.f_grid,
               0.0);  // Extpolfac
  } catch (const std::runtime_error& x) {
    // If ignore_errors is set to true, then we mark this case for
    // skipping, and ignore the exceptions.
    // Otherwise, we re-throw the exception.
    if (ignore_errors)
      return -1;
    else
      throw runtime_error(x.what());
  }
 
  // Get number of frequencies. (We cannot do this earlier, since we
  // get it from the output of al.Extract.)
  const Index n_f = sga_tab.ncols();
 
  // Allocate some vectors with this dimension:
  Vector abs_tab(n_f);
  Vector abs_lbl(n_f, 0.0);
  Vector abs_rel_diff(n_f);
 
  // Sum up for all species, to get total absorption:
  for (Index i = 0; i < n_f; ++i) abs_tab[i] = sga_tab(joker, i).sum();
 
  // Now get absorption line-by-line.
 
  // Variable to hold result of absorption calculation:
  ArrayOfPropagationMatrix propmat_clearsky;
  ArrayOfStokesVector nlte_source;
  ArrayOfPropagationMatrix dpropmat_clearsky_dx;
  ArrayOfStokesVector dnlte_dx_source, nlte_dsource_dx;
  ArrayOfMatrix d;
  const ArrayOfRetrievalQuantity jacobian_quantities(0);
  Index propmat_clearsky_checked = 1,
        nlte_do = 0;  // FIXME: OLE: Properly pass this through?
 
  // Initialize propmat_clearsky:
  propmat_clearskyInit(propmat_clearsky,
                       nlte_source,
                       dpropmat_clearsky_dx,
                       dnlte_dx_source,
                       nlte_dsource_dx,
                       al.species,
                       jacobian_quantities,
                       al.f_grid,
                       1,  // Stokes dimension
                       propmat_clearsky_checked,
                       nlte_do,
                       verbosity);
 
  // Add result of LBL calculation to propmat_clearsky:
  propmat_clearskyAddOnTheFly(ws,
                              propmat_clearsky,
                              nlte_source,
                              dpropmat_clearsky_dx,
                              dnlte_dx_source,
                              nlte_dsource_dx,
                              al.f_grid,
                              al.species,
                              jacobian_quantities,
                              local_p,
                              local_t,
                              local_nlte_dummy,
                              local_vmrs,
                              abs_xsec_agenda,
                              verbosity);
 
  // Argument 0 above is the Doppler shift (usually
  // rtp_doppler). Should be zero in this case.
 
  // Sum up for all species, to get total absorption:
  for (auto& pm : propmat_clearsky) abs_lbl += pm.Kjj();
 
  // Ok. What we have to compare is abs_tab and abs_lbl.
 
  assert(abs_tab.nelem() == n_f);
  assert(abs_lbl.nelem() == n_f);
  assert(abs_rel_diff.nelem() == n_f);
  for (Index i = 0; i < n_f; ++i) {
    // Absolute value of relative difference in percent:
    abs_rel_diff[i] = fabs((abs_tab[i] - abs_lbl[i]) / abs_lbl[i] * 100);
  }
 
  // Maximum of this:
  Numeric max_abs_rel_diff = max(abs_rel_diff);
 
  //          cout << "ma " << max_abs_rel_diff << "\n";
 
  return max_abs_rel_diff;
}
 
/* Workspace method: Doxygen documentation will be auto-generated */
void abs_lookupTestAccuracy(  // Workspace reference:
    Workspace& ws,
    // WS Input:
    const GasAbsLookup& abs_lookup,
    const Index& abs_lookup_is_adapted,
    const Index& abs_p_interp_order,
    const Index& abs_t_interp_order,
    const Index& abs_nls_interp_order,
    const Agenda& abs_xsec_agenda,
    // Verbosity object:
    const Verbosity& verbosity) {
  CREATE_OUT2;
 
  const GasAbsLookup& al = abs_lookup;
 
  // Check if the table has been adapted:
  if (1 != abs_lookup_is_adapted)
    throw runtime_error(
        "Gas absorption lookup table must be adapted,\n"
        "use method abs_lookupAdapt.");
 
  // Some important sizes:
  const Index n_nls = al.nonlinear_species.nelem();
  const Index n_species = al.species.nelem();
  //  const Index n_f       = al.f_grid.nelem();
  const Index n_p = al.log_p_grid.nelem();
 
  if (n_nls <= 0) {
    ostringstream os;
    os << "This function currently works only with lookup tables\n"
       << "containing nonlinear species.";
    throw runtime_error(os.str());
  }
 
  // If there are nonlinear species, then at least one species must be
  // H2O. We will use that to perturb in the case of nonlinear
  // species.
  Index h2o_index = -1;
  if (n_nls > 0) {
    h2o_index = find_first_species_tg(al.species,
                                      species_index_from_species_name("H2O"));
 
    // This is a runtime error, even though it would be more logical
    // for it to be an assertion, since it is an internal check on
    // the table. The reason is that it is somewhat awkward to check
    // for this in other places.
    if (h2o_index == -1) {
      ostringstream os;
      os << "With nonlinear species, at least one species must be a H2O species.";
      throw runtime_error(os.str());
    }
  }
 
  // Check temperature interpolation
 
  Vector inbet_t_pert(al.t_pert.nelem() - 1);
  for (Index i = 0; i < inbet_t_pert.nelem(); ++i)
    inbet_t_pert[i] = (al.t_pert[i] + al.t_pert[i + 1]) / 2.0;
 
  // To store the temperature error, which we define as the maximum of
  // the absolute value of the relative difference between LBL and
  // lookup table, in percent.
  Numeric err_t = -999;
 
#pragma omp parallel for if (!arts_omp_in_parallel())
  for (Index pi = 0; pi < n_p; ++pi)
    for (Index ti = 0; ti < inbet_t_pert.nelem(); ++ti) {
      // Find local conditions:
 
      // Pressure:
      Numeric local_p = al.p_grid[pi];
 
      // Temperature:
      Numeric local_t = al.t_ref[pi] + inbet_t_pert[ti];
 
      // VMRs:
      Vector local_vmrs = al.vmrs_ref(joker, pi);
 
      // Watch out, the table probably does not have an absorption
      // value for exactly the reference H2O profile. We multiply
      // with the first perturbation.
      local_vmrs[h2o_index] *= al.nls_pert[0];
 
      Numeric max_abs_rel_diff =
          calc_lookup_error(ws,
                            // Parameters for lookup table:
                            al,
                            abs_p_interp_order,
                            abs_t_interp_order,
                            abs_nls_interp_order,
                            true,  // ignore errors
                            // Parameters for LBL:
                            abs_xsec_agenda,
                            // Parameters for both:
                            local_p,
                            local_t,
                            local_vmrs,
                            verbosity);
 
      //          cout << "ma " << max_abs_rel_diff << "\n";
 
      //Critical directive here is necessary, because all threads
      //access the same variable.
#pragma omp critical(abs_lookupTestAccuracy_piti)
      {
        if (max_abs_rel_diff > err_t) err_t = max_abs_rel_diff;
      }
 
    }  // end parallel for loop
 
  // Check H2O interpolation
 
  Vector inbet_nls_pert(al.nls_pert.nelem() - 1);
  for (Index i = 0; i < inbet_nls_pert.nelem(); ++i)
    inbet_nls_pert[i] = (al.nls_pert[i] + al.nls_pert[i + 1]) / 2.0;
 
  // To store the H2O error, which we define as the maximum of
  // the absolute value of the relative difference between LBL and
  // lookup table, in percent.
  Numeric err_nls = -999;
 
#pragma omp parallel for if (!arts_omp_in_parallel())
  for (Index pi = 0; pi < n_p; ++pi)
    for (Index ni = 0; ni < inbet_nls_pert.nelem(); ++ni) {
      // Find local conditions:
 
      // Pressure:
      Numeric local_p = al.p_grid[pi];
 
      // Temperature:
 
      // Watch out, the table probably does not have an absorption
      // value for exactly the reference temperature. We add
      // the first perturbation.
 
      Numeric local_t = al.t_ref[pi] + al.t_pert[0];
 
      // VMRs:
      Vector local_vmrs = al.vmrs_ref(joker, pi);
 
      // Now we have to modify the H2O VMR according to nls_pert:
      local_vmrs[h2o_index] *= inbet_nls_pert[ni];
 
      Numeric max_abs_rel_diff =
          calc_lookup_error(ws,
                            // Parameters for lookup table:
                            al,
                            abs_p_interp_order,
                            abs_t_interp_order,
                            abs_nls_interp_order,
                            true,  // ignore errors
                            // Parameters for LBL:
                            abs_xsec_agenda,
                            // Parameters for both:
                            local_p,
                            local_t,
                            local_vmrs,
                            verbosity);
 
      //Critical directive here is necessary, because all threads
      //access the same variable.
#pragma omp critical(abs_lookupTestAccuracy_pini)
      {
        if (max_abs_rel_diff > err_nls) err_nls = max_abs_rel_diff;
      }
 
    }  // end parallel for loop
 
  // Check pressure interpolation
 
  // IMPORTANT: This does not test the pure pressure interpolation,
  // unless we have constant reference profiles for T and
  // H2O. Otherwise we have T and H2O interpolation mixed in.
 
  Vector inbet_p_grid(n_p - 1);
  Vector inbet_t_ref(n_p - 1);
  Matrix inbet_vmrs_ref(n_species, n_p - 1);
  for (Index i = 0; i < inbet_p_grid.nelem(); ++i) {
    inbet_p_grid[i] = exp((al.log_p_grid[i] + al.log_p_grid[i + 1]) / 2.0);
    inbet_t_ref[i] = (al.t_ref[i] + al.t_ref[i + 1]) / 2.0;
    for (Index j = 0; j < n_species; ++j)
      inbet_vmrs_ref(j, i) = (al.vmrs_ref(j, i) + al.vmrs_ref(j, i + 1)) / 2.0;
  }
 
  // To store the interpolation error, which we define as the maximum of
  // the absolute value of the relative difference between LBL and
  // lookup table, in percent.
  Numeric err_p = -999;
 
#pragma omp parallel for if (!arts_omp_in_parallel())
  for (Index pi = 0; pi < n_p - 1; ++pi) {
    // Find local conditions:
 
    // Pressure:
    Numeric local_p = inbet_p_grid[pi];
 
    // Temperature:
 
    // Watch out, the table probably does not have an absorption
    // value for exactly the reference temperature. We add
    // the first perturbation.
 
    Numeric local_t = inbet_t_ref[pi] + al.t_pert[0];
 
    // VMRs:
    Vector local_vmrs = inbet_vmrs_ref(joker, pi);
 
    // Watch out, the table probably does not have an absorption
    // value for exactly the reference H2O profile. We multiply
    // with the first perturbation.
    local_vmrs[h2o_index] *= al.nls_pert[0];
 
    Numeric max_abs_rel_diff = calc_lookup_error(ws,
                                                 // Parameters for lookup table:
                                                 al,
                                                 abs_p_interp_order,
                                                 abs_t_interp_order,
                                                 abs_nls_interp_order,
                                                 true,  // ignore errors
                                                 // Parameters for LBL:
                                                 abs_xsec_agenda,
                                                 // Parameters for both:
                                                 local_p,
                                                 local_t,
                                                 local_vmrs,
                                                 verbosity);
 
    //Critical directive here is necessary, because all threads
    //access the same variable.
#pragma omp critical(abs_lookupTestAccuracy_pi)
    {
      if (max_abs_rel_diff > err_p) err_p = max_abs_rel_diff;
    }
  }
 
  // Check total error
 
  // To store the interpolation error, which we define as the maximum of
  // the absolute value of the relative difference between LBL and
  // lookup table, in percent.
  Numeric err_tot = -999;
 
#pragma omp parallel for if (!arts_omp_in_parallel())
  for (Index pi = 0; pi < n_p - 1; ++pi)
    for (Index ti = 0; ti < inbet_t_pert.nelem(); ++ti)
      for (Index ni = 0; ni < inbet_nls_pert.nelem(); ++ni) {
        // Find local conditions:
 
        // Pressure:
        Numeric local_p = inbet_p_grid[pi];
 
        // Temperature:
        Numeric local_t = inbet_t_ref[pi] + inbet_t_pert[ti];
 
        // VMRs:
        Vector local_vmrs = inbet_vmrs_ref(joker, pi);
 
        // Multiply with perturbation.
        local_vmrs[h2o_index] *= inbet_nls_pert[ni];
 
        Numeric max_abs_rel_diff =
            calc_lookup_error(ws,
                              // Parameters for lookup table:
                              al,
                              abs_p_interp_order,
                              abs_t_interp_order,
                              abs_nls_interp_order,
                              true,  // ignore errors
                              // Parameters for LBL:
                              abs_xsec_agenda,
                              // Parameters for both:
                              local_p,
                              local_t,
                              local_vmrs,
                              verbosity);
 
        //Critical directive here is necessary, because all threads
        //access the same variable.
#pragma omp critical(abs_lookupTestAccuracy_pitini)
        {
          if (max_abs_rel_diff > err_tot) {
            err_tot = max_abs_rel_diff;
 
            //             cout << "New max error: pi, ti, ni, err_tot:\n"
            //                  << pi << ", " << ti << ", " << ni << ", " << err_tot << "\n";
          }
        }
      }
 
  out2 << "  Max. of absolute value of relative error in percent:\n"
       << "  Note: Unless you have constant reference profiles, the\n"
       << "  pressure interpolation error will have other errors mixed in.\n"
       << "  Temperature interpolation: " << err_t << "%\n"
       << "  H2O (NLS) interpolation:   " << err_nls << "%\n"
       << "  Pressure interpolation:    " << err_p << "%\n"
       << "  Total error:               " << err_tot << "%\n";
 
  // Check pressure interpolation
 
  //   assert(p_grid.nelem()==log_p_grid.nelem()); // Make sure that log_p_grid is initialized.
  //   Vector inbet_log_p_grid(log_p_grid.nelem()-1)
  //   for (Index i=0; i<log_p_grid.nelem()-1; ++i)
  //     {
  //       inbet_log_p_grid[i] = (log_p_grid[i]+log_p_grid[i+1])/2.0;
  //     }
 
  //   for (Index pi=0; pi<inbet_log_p_grid.nelem(); ++pi)
  //     {
  //       for (Index pt=0; pt<)
  //     }
}
 
/* Workspace method: Doxygen documentation will be auto-generated */
void abs_lookupTestAccMC(  // Workspace reference:
    Workspace& ws,
    // WS Input:
    const GasAbsLookup& abs_lookup,
    const Index& abs_lookup_is_adapted,
    const Index& abs_p_interp_order,
    const Index& abs_t_interp_order,
    const Index& abs_nls_interp_order,
    const Index& mc_seed,
    const Agenda& abs_xsec_agenda,
    // Verbosity object:
    const Verbosity& verbosity) {
  CREATE_OUT2;
  CREATE_OUT3;
 
  const GasAbsLookup& al = abs_lookup;
 
  // Check if the table has been adapted:
  if (1 != abs_lookup_is_adapted)
    throw runtime_error(
        "Gas absorption lookup table must be adapted,\n"
        "use method abs_lookupAdapt.");
 
  // Some important sizes:
  const Index n_nls = al.nonlinear_species.nelem();
  const Index n_species = al.species.nelem();
 
  if (n_nls <= 0) {
    ostringstream os;
    os << "This function currently works only with lookup tables\n"
       << "containing nonlinear species.";
    throw runtime_error(os.str());
  }
 
  // If there are nonlinear species, then at least one species must be
  // H2O. We will use that to perturb in the case of nonlinear
  // species.
  Index h2o_index = -1;
  if (n_nls > 0) {
    h2o_index = find_first_species_tg(al.species,
                                      species_index_from_species_name("H2O"));
 
    // This is a runtime error, even though it would be more logical
    // for it to be an assertion, since it is an internal check on
    // the table. The reason is that it is somewhat awkward to check
    // for this in other places.
    if (h2o_index == -1) {
      ostringstream os;
      os << "With nonlinear species, at least one species must be a H2O species.";
      throw runtime_error(os.str());
    }
  }
 
  // How many MC cases to run between each convergence check.
  // (It is important for parallelization that this is not too small.)
  const Index chunksize = 100;
 
  //Random Number generator:
  Rng rng;
  rng.seed(mc_seed, verbosity);
  // rng.draw() will draw a double from the uniform distribution [0,1).
 
  // (Log) Pressure range:
  const Numeric lp_max = al.log_p_grid[0];
  const Numeric lp_min = al.log_p_grid[al.log_p_grid.nelem() - 1];
 
  // T perturbation range (additive):
  const Numeric dT_min = al.t_pert[0];
  const Numeric dT_max = al.t_pert[al.t_pert.nelem() - 1];
 
  // H2O perturbation range (scaling):
  const Numeric dh2o_min = al.nls_pert[0];
  const Numeric dh2o_max = al.nls_pert[al.nls_pert.nelem() - 1];
 
  // We are creating all random numbers for the chunk beforehand, to avoid the
  // problem that random number generators in different threads would need
  // different seeds to produce independent random numbers.
  // (I prefer this solution to the one of having the rng inside the threads,
  // because it ensures that the result does not depend on the the number of CPUs.)
  Vector rand_lp(chunksize);
  Vector rand_dT(chunksize);
  Vector rand_dh2o(chunksize);
 
  // Store the errors for one chunk:
  Vector max_abs_rel_diff(chunksize);
 
  // Flag to break our MC calculation loop eventually
  bool keep_looping = true;
 
  // Total mean and standard deviation. (Is updated after each chunk.)
  Numeric total_mean;
  Numeric total_std;
  Index N_chunk = 0;
  while (keep_looping) {
    ++N_chunk;
 
    for (Index i = 0; i < chunksize; ++i) {
      // A random pressure, temperature perturbation, and H2O perturbation,
      // all with flat PDF between min and max:
      rand_lp[i] = rng.draw() * (lp_max - lp_min) + lp_min;
      rand_dT[i] = rng.draw() * (dT_max - dT_min) + dT_min;
      rand_dh2o[i] = rng.draw() * (dh2o_max - dh2o_min) + dh2o_min;
    }
 
    for (Index i = 0; i < chunksize; ++i) {
      // The pressure we work with here:
      const Numeric this_lp = rand_lp[i];
 
      // Now we have to interpolate t_ref and vmrs_ref to this
      // pressure, so that we can apply the dT and dh2o perturbations.
 
      // Pressure grid positions:
      ArrayOfGridPosPoly pgp(1);
      gridpos_poly(pgp, al.log_p_grid, this_lp, abs_p_interp_order);
 
      // Pressure interpolation weights:
      Vector pitw;
      pitw.resize(abs_p_interp_order + 1);
      interpweights(pitw, pgp[0]);
 
      // Interpolated temperature:
      const Numeric this_t_ref = interp(pitw, al.t_ref, pgp[0]);
 
      // Interpolated VMRs:
      Vector these_vmrs(n_species);
      for (Index j = 0; j < n_species; ++j) {
        these_vmrs[j] = interp(pitw, al.vmrs_ref(j, Range(joker)), pgp[0]);
      }
 
      // Now get the actual p, T and H2O values:
      const Numeric this_p = exp(this_lp);
      const Numeric this_t = this_t_ref + rand_dT[i];
      these_vmrs[h2o_index] *= rand_dh2o[i];
 
      //            cout << "p, T, H2O: " << this_p << ", " << this_t << ", " << these_vmrs[h2o_index] << "\n";
 
      // Get error between table and LBL calculation for these conditions:
 
      max_abs_rel_diff[i] = calc_lookup_error(ws,
                                              // Parameters for lookup table:
                                              al,
                                              abs_p_interp_order,
                                              abs_t_interp_order,
                                              abs_nls_interp_order,
                                              true,  // ignore errors
                                              // Parameters for LBL:
                                              abs_xsec_agenda,
                                              // Parameters for both:
                                              this_p,
                                              this_t,
                                              these_vmrs,
                                              verbosity);
      //            cout << "max_abs_rel_diff[" << i << "] = " << max_abs_rel_diff[i] << "\n";
    }
 
    // Calculate Mean of the last batch.
 
    // Total number of valid points in the chunk (not counting negative values,
    // which result from failed calculations at the edges of the table.)
    Index N = 0;
    // Mean (initially sum of all values):
    Numeric mean = 0;
    for (Index i = 0; i < chunksize; ++i) {
      const Numeric x = max_abs_rel_diff[i];
      if (x > 0) {
        ++N;
        mean += x;
      }
      //            else
      //              {
      //                cout << "Negative value ignored.\n";
      //              }
    }
    // Calculate mean by dividing sum by number of valid points:
    mean = mean / (Numeric)N;
 
    // Now calculate standard deviation:
 
    // Variance (initially sum of squared differences)
    Numeric variance = 0;
    for (Index i = 0; i < chunksize; ++i) {
      const Numeric x = max_abs_rel_diff[i];
      if (x > 0) {
        variance += (x - mean) * (x - mean);
      }
    }
    // Divide by N to really calculate variance:
    variance = variance / (Numeric)N;
 
    //        cout << "Mean = " << mean << " Std = " << std_dev << "\n";
 
    if (N_chunk == 1) {
      total_mean = mean;
      total_std = sqrt(variance);
    } else {
      const Numeric old_mean = total_mean;
 
      // This formula assimilates the new chunk mean into the total mean:
      total_mean =
          (total_mean * ((Numeric)(N_chunk - 1)) + mean) / (Numeric)N_chunk;
 
      // Do the same for the standard deviation.
      // First get rid of the square root:
      total_std = total_std * total_std;
      // Now multiply with old normalisation:
      total_std *= (Numeric)(N_chunk - 1);
      // Now add the new sigma
      total_std += variance;
      // Divide by the new normalisation:
      total_std /= (Numeric)N_chunk;
      // And finally take the square root:
      total_std = sqrt(total_std);
 
      // Stop the chunk loop if desired accuracy has been reached.
      // We take 1% here, no point in trying to be more accurate!
      if (abs(total_mean - old_mean) < total_mean / 100) keep_looping = false;
    }
 
    //        cout << "  Chunk " << N_chunk << ": Mean estimate = " << total_mean
    //             << " Std estimate = " << total_std << "\n";
 
    out3 << "  Chunk " << N_chunk << ": Mean estimate = " << total_mean
         << " Std estimate = " << total_std << "\n";
 
  }  // End of "keep_looping" loop that runs over the chunks
 
  out2 << "  Mean relative error: " << total_mean << "%\n"
       << "  Standard deviation:  " << total_std << "%\n";
}