test_load.c

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/* src/test_load.c
 *
 * Copyright (C) 2011-2018 Dongdong Li
 *
 * 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 Foundataion; either version 3 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
 * MERCHANTABLITY 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., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
 */

extern bool test_load ()
{
  if (phases.aqueous == NULL || phases.solidsolution == NULL)
    {
      printf ("There is no PHASES defined\n");
      return false;
    }
  
  int i;

  printf ("COMPONENTS %d\n", total_comp_num);

  for (i = 0; i < total_comp_num; i++)
    {
      printf (" %s\t%d\t%0.3lf\n", components[i].element_symbol, 
          components[i].element_number,
          components[i].element_mass);
    }

  printf ("PHASES %d %d %d %d\n", gas_phase_num, aqueous_phase_num, 
      solid_phase_num, solidsolution_phase_num);  

  for (i = 0; i < gas_phase_num; i++)
    {
      printf ("GAS %d\n", phases.gas[i].species_num);

      int j;

      for (j = 0; j < phases.gas[i].species_num; j++)
    {
      printf (" %s %d\n", phases.gas[i].gas_species[j].species_symbol, 
          phases.gas[i].gas_species[j].charge);

      int k;
      for (k = 0; k < total_comp_num; k++)
        {
          printf (" %0.0lf", phases.gas[i].gas_species[j].elements[k]);
        }
      printf ("\n");
      printf (" %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf\n", 
          phases.gas[i].gas_species[j].thermo_coeff[0], 
          phases.gas[i].gas_species[j].thermo_coeff[1],
          phases.gas[i].gas_species[j].thermo_coeff[2],
          phases.gas[i].gas_species[j].thermo_coeff[3],
          phases.gas[i].gas_species[j].thermo_coeff[4],
          phases.gas[i].gas_species[j].thermo_coeff[5],
          phases.gas[i].gas_species[j].thermo_coeff[6]);
    }
    }

  for (i = 0; i < aqueous_phase_num; i++)
    {
      printf ("AQUEOUS %d\n", phases.aqueous[i].species_num);

      int j;

      for (j = 0; j < phases.aqueous[i].species_num; j++)
    {
      printf (" %s %d\n", phases.aqueous[i].aqueous_species[j].species_symbol, 
          phases.aqueous[i].aqueous_species[j].charge);

      int k;
      for (k = 0; k < total_comp_num; k++)
        {
          printf (" %0.0lf", phases.aqueous[i].aqueous_species[j].elements[k]);
        }
      printf ("\n");
      printf (" %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf\n", 
          phases.aqueous[i].aqueous_species[j].thermo_coeff[0], 
          phases.aqueous[i].aqueous_species[j].thermo_coeff[1],
          phases.aqueous[i].aqueous_species[j].thermo_coeff[2],
          phases.aqueous[i].aqueous_species[j].thermo_coeff[3],
          phases.aqueous[i].aqueous_species[j].thermo_coeff[4],
          phases.aqueous[i].aqueous_species[j].thermo_coeff[5],
          phases.aqueous[i].aqueous_species[j].thermo_coeff[6]);
    }

      printf (" %d\n", phases.aqueous[i].ii_bin_param_num);
      for (j = 0; j < phases.aqueous[i].ii_bin_param_num; j++)
    {
      printf (" %s %s %0.1lf %0.1lf\n", phases.aqueous[i].ii_bin_params[j].species_s1,
          phases.aqueous[i].ii_bin_params[j].species_s2,
          phases.aqueous[i].ii_bin_params[j].alpha,
          phases.aqueous[i].ii_bin_params[j].alpha1);

      printf (" %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf\n", 
          phases.aqueous[i].ii_bin_params[j].B0ss[0],
          phases.aqueous[i].ii_bin_params[j].B0ss[1],
          phases.aqueous[i].ii_bin_params[j].B0ss[2],
          phases.aqueous[i].ii_bin_params[j].B0ss[3],
          phases.aqueous[i].ii_bin_params[j].B0ss[4],
          phases.aqueous[i].ii_bin_params[j].B0ss[5]);

      printf (" %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf\n", 
          phases.aqueous[i].ii_bin_params[j].B1ss[0],
          phases.aqueous[i].ii_bin_params[j].B1ss[1],
          phases.aqueous[i].ii_bin_params[j].B1ss[2],
          phases.aqueous[i].ii_bin_params[j].B1ss[3],
          phases.aqueous[i].ii_bin_params[j].B1ss[4],
          phases.aqueous[i].ii_bin_params[j].B1ss[5]);
    }

      printf (" %d\n", phases.aqueous[i].nn_bin_param_num);
      for (j = 0; j < phases.aqueous[i].nn_bin_param_num; j++)
    {
      printf (" %s %s\n", phases.aqueous[i].nn_bin_params[j].species_s1,
          phases.aqueous[i].nn_bin_params[j].species_s2);

      printf (" %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf\n", 
          phases.aqueous[i].nn_bin_params[j].Wss[0],
          phases.aqueous[i].nn_bin_params[j].Wss[1],
          phases.aqueous[i].nn_bin_params[j].Wss[2],
          phases.aqueous[i].nn_bin_params[j].Wss[3],
          phases.aqueous[i].nn_bin_params[j].Wss[4],
          phases.aqueous[i].nn_bin_params[j].Wss[5]);

      printf (" %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf\n", 
          phases.aqueous[i].nn_bin_params[j].Uss[0],
          phases.aqueous[i].nn_bin_params[j].Uss[1],
          phases.aqueous[i].nn_bin_params[j].Uss[2],
          phases.aqueous[i].nn_bin_params[j].Uss[3],
          phases.aqueous[i].nn_bin_params[j].Uss[4],
          phases.aqueous[i].nn_bin_params[j].Uss[5]);
    }

      printf (" %d\n", phases.aqueous[i].nii_ter_param_num);
      for (j = 0; j < phases.aqueous[i].nii_ter_param_num; j++)
    {
      printf (" %s %s %s\n", phases.aqueous[i].nii_ter_params[j].species_s1,
          phases.aqueous[i].nii_ter_params[j].species_s2,
          phases.aqueous[i].nii_ter_params[j].species_s3);

      printf (" %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf\n", 
          phases.aqueous[i].nii_ter_params[j].Wsss[0],
          phases.aqueous[i].nii_ter_params[j].Wsss[1],
          phases.aqueous[i].nii_ter_params[j].Wsss[2],
          phases.aqueous[i].nii_ter_params[j].Wsss[3],
          phases.aqueous[i].nii_ter_params[j].Wsss[4],
          phases.aqueous[i].nii_ter_params[j].Wsss[5]);

      printf (" %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf\n", 
          phases.aqueous[i].nii_ter_params[j].Usss[0],
          phases.aqueous[i].nii_ter_params[j].Usss[1],
          phases.aqueous[i].nii_ter_params[j].Usss[2],
          phases.aqueous[i].nii_ter_params[j].Usss[3],
          phases.aqueous[i].nii_ter_params[j].Usss[4],
          phases.aqueous[i].nii_ter_params[j].Usss[5]);

      printf (" %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf\n", 
          phases.aqueous[i].nii_ter_params[j].Vsss[0],
          phases.aqueous[i].nii_ter_params[j].Vsss[1],
          phases.aqueous[i].nii_ter_params[j].Vsss[2],
          phases.aqueous[i].nii_ter_params[j].Vsss[3],
          phases.aqueous[i].nii_ter_params[j].Vsss[4],
          phases.aqueous[i].nii_ter_params[j].Vsss[5]);
    }

      printf (" %d\n", phases.aqueous[i].iii_ter_param_num);
      for (j = 0; j < phases.aqueous[i].iii_ter_param_num; j++)
    {
      printf (" %s %s %s\n", phases.aqueous[i].iii_ter_params[j].species_s1,
          phases.aqueous[i].iii_ter_params[j].species_s2,
          phases.aqueous[i].iii_ter_params[j].species_s3);

      printf (" %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf\n", 
          phases.aqueous[i].iii_ter_params[j].Wsss[0],
          phases.aqueous[i].iii_ter_params[j].Wsss[1],
          phases.aqueous[i].iii_ter_params[j].Wsss[2],
          phases.aqueous[i].iii_ter_params[j].Wsss[3],
          phases.aqueous[i].iii_ter_params[j].Wsss[4],
          phases.aqueous[i].iii_ter_params[j].Wsss[5]);
    }

      printf (" %d\n", phases.aqueous[i].niii_qua_param_num);
      for (j = 0; j < phases.aqueous[i].niii_qua_param_num; j++)
    {
      printf (" %s %s %s %s\n", phases.aqueous[i].niii_qua_params[j].species_s1,
          phases.aqueous[i].niii_qua_params[j].species_s2,
          phases.aqueous[i].niii_qua_params[j].species_s3,
          phases.aqueous[i].niii_qua_params[j].species_s4);

      printf (" %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf\n", 
          phases.aqueous[i].niii_qua_params[j].Qssss[0],
          phases.aqueous[i].niii_qua_params[j].Qssss[1],
          phases.aqueous[i].niii_qua_params[j].Qssss[2],
          phases.aqueous[i].niii_qua_params[j].Qssss[3],
          phases.aqueous[i].niii_qua_params[j].Qssss[4],
          phases.aqueous[i].niii_qua_params[j].Qssss[5]);

      printf (" %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf\n", 
          phases.aqueous[i].niii_qua_params[j].Yssss[0],
          phases.aqueous[i].niii_qua_params[j].Yssss[1],
          phases.aqueous[i].niii_qua_params[j].Yssss[2],
          phases.aqueous[i].niii_qua_params[j].Yssss[3],
          phases.aqueous[i].niii_qua_params[j].Yssss[4],
          phases.aqueous[i].niii_qua_params[j].Yssss[5]);
    }
    }

  for (i = 0; i < solid_phase_num; i++)
    {
      printf ("SOLID %d\n", phases.solids[i].species_num);

      int j;

      for (j = 0; j < phases.solids[i].species_num; j++)
    {
      printf (" %s %d\n", phases.solids[i].solid_species[j].species_symbol, 
          phases.solids[i].solid_species[j].charge);

      int k;
      for (k = 0; k < total_comp_num; k++)
        {
          printf (" %0.0lf", phases.solids[i].solid_species[j].elements[k]);
        }
      printf ("\n");
      printf (" %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf\n", 
          phases.solids[i].solid_species[j].thermo_coeff[0], 
          phases.solids[i].solid_species[j].thermo_coeff[1],
          phases.solids[i].solid_species[j].thermo_coeff[2],
          phases.solids[i].solid_species[j].thermo_coeff[3],
          phases.solids[i].solid_species[j].thermo_coeff[4],
          phases.solids[i].solid_species[j].thermo_coeff[5],
          phases.solids[i].solid_species[j].thermo_coeff[6]);
    }
    }

  for (i = 0; i < solidsolution_phase_num; i++)
    {
      printf ("SOLIDSOLUTION %d\n", phases.solidsolution[i].species_num);

      int j;

      for (j = 0; j < phases.solidsolution[i].species_num; j++)
    {
      printf (" %s %d\n", phases.solidsolution[i].solidsolution_species[j].species_symbol, 
          phases.solidsolution[i].solidsolution_species[j].charge);

      int k;
      for (k = 0; k < total_comp_num; k++)
        {
          printf (" %0.0lf", phases.solidsolution[i].solidsolution_species[j].elements[k]);
        }
      printf ("\n");
      printf (" %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf %0.6lf\n", 
          phases.solidsolution[i].solidsolution_species[j].thermo_coeff[0], 
          phases.solidsolution[i].solidsolution_species[j].thermo_coeff[1],
          phases.solidsolution[i].solidsolution_species[j].thermo_coeff[2],
          phases.solidsolution[i].solidsolution_species[j].thermo_coeff[3],
          phases.solidsolution[i].solidsolution_species[j].thermo_coeff[4],
          phases.solidsolution[i].solidsolution_species[j].thermo_coeff[5],
          phases.solidsolution[i].solidsolution_species[j].thermo_coeff[6]);
    }

      printf (" %d\n", phases.solidsolution[i].param_num);

      for (j = 0; j < phases.solidsolution[i].param_num; j++)
    {
      printf (" %s %s %0.1lf %0.1lf\n", 
          phases.solidsolution[i].params[j].species_a,
          phases.solidsolution[i].params[j].species_b,
          phases.solidsolution[i].params[j].A0,
          phases.solidsolution[i].params[j].A1);
    }
    }

  return true;
}