iphreeqc/ReadClass.cxx

#ifdef _DEBUG
#pragma warning(disable : 4786)   // disable truncation warning (Only used by debugger)
#endif
#include "Parser.h"
#include "Solution.h"
#include "Exchange.h"
#include "Surface.h"
#include "PPassemblage.h"
#include "KineticsCxx.h"
#include "SSassemblage.h"
#include "GasPhase.h"
#include "Reaction.h"
#include "Mix.h"
#include "Temperature.h"
#define EXTERNAL extern
#include "global.h"
#include "phqalloc.h"
#include "output.h"
#include "phrqproto.h"

extern int check_line(const char *string, int allow_empty, int allow_eof, int allow_keyword,
		      int print);

/* ---------------------------------------------------------------------- */
int read_solution_raw (void)
/* ---------------------------------------------------------------------- */
{
/*
 *      Reads SOLUTION_RAW data block
 *
 *      Arguments:
 *         none
 *
 *      Returns:
 *         KEYWORD if keyword encountered, input_error may be incremented if
 *                    a keyword is encountered in an unexpected position
 *         EOF     if eof encountered while reading mass balance concentrations
 *         ERROR   if error occurred reading data
 *
 */
	int return_value;
	/*
	 *  Accumulate lines in std string
	 */
	std::string keywordLines("");

	keywordLines.append(line);
	keywordLines.append("\n");
/*
 *   Read additonal lines
 */
	for (;;) {
		return_value = check_line("solution_raw",TRUE,TRUE,TRUE,TRUE);
                                               /* empty, eof, keyword, print */
		if (return_value == EOF || return_value == KEYWORD ) break;
		keywordLines.append(line);
		keywordLines.append("\n");
	}

	std::istringstream iss_in(keywordLines);
	std::ostringstream oss_out;
	std::ostringstream oss_err;

	CParser parser(iss_in, oss_out, oss_err);
	//For testing, need to read line to get started
	std::vector<std::string> vopts;
	std::istream::pos_type next_char;
	parser.get_option(vopts, next_char);


	cxxSolution sol;
	sol.read_raw(parser);
	struct solution *soln_ptr = sol.cxxSolution2solution();
	int n;

	/*
	 *  This is not quite right, may not produce sort order
	 */

	if (solution_bsearch(soln_ptr->n_user, &n, FALSE) != NULL) {
		solution_free(solution[n]);
	} else {
		n=count_solution++;
		if (count_solution >= max_solution) {
			space ((void **) ((void *) &(solution)), count_solution, &max_solution, sizeof (struct solution *) );
		}
	}
	solution[n] = soln_ptr;


	return(return_value);
}
/* ---------------------------------------------------------------------- */
int read_exchange_raw (void)
/* ---------------------------------------------------------------------- */
{
/*
 *      Reads EXCHANGE_RAW data block
 *
 *      Arguments:
 *         none
 *
 *      Returns:
 *         KEYWORD if keyword encountered, input_error may be incremented if
 *                    a keyword is encountered in an unexpected position
 *         EOF     if eof encountered while reading mass balance concentrations
 *         ERROR   if error occurred reading data
 *
 */
	int return_value;
	/*
	 *  Accumulate lines in std string
	 */
	std::string keywordLines("");

	keywordLines.append(line);
	keywordLines.append("\n");
/*
 *   Read additonal lines
 */
	for (;;) {
		return_value = check_line("exchange_raw",TRUE,TRUE,TRUE,TRUE);
                                               /* empty, eof, keyword, print */
		if (return_value == EOF || return_value == KEYWORD ) break;
		keywordLines.append(line);
		keywordLines.append("\n");
	}

	std::istringstream iss_in(keywordLines);
	std::ostringstream oss_out;
	std::ostringstream oss_err;

	CParser parser(iss_in, oss_out, oss_err);
	//For testing, need to read line to get started
	std::vector<std::string> vopts;
	std::istream::pos_type next_char;
	parser.get_option(vopts, next_char);

	cxxExchange ex;
	ex.read_raw(parser);
	struct exchange *exchange_ptr = ex.cxxExchange2exchange();
	int n;

	/*
	 *  This is not quite right, may not produce sort order
	 */

	if (exchange_bsearch(exchange_ptr->n_user, &n) != NULL) {
		exchange_free(&exchange[n]);
	} else {
		n=count_exchange++;
		if (count_exchange >= max_exchange) {
			space ((void **) ((void *) &(exchange)), count_exchange, &max_exchange, sizeof (struct exchange *) );
		}
	}
	exchange_copy(exchange_ptr, &exchange[n], exchange_ptr->n_user);
	exchange_free(exchange_ptr);
	free_check_null(exchange_ptr);
	return(return_value);
}
/* ---------------------------------------------------------------------- */
int read_surface_raw (void)
/* ---------------------------------------------------------------------- */
{
/*
 *      Reads SURFACE_RAW data block
 *
 *      Arguments:
 *         none
 *
 *      Returns:
 *         KEYWORD if keyword encountered, input_error may be incremented if
 *                    a keyword is encountered in an unexpected position
 *         EOF     if eof encountered while reading mass balance concentrations
 *         ERROR   if error occurred reading data
 *
 */
	int return_value;
	/*
	 *  Accumulate lines in std string
	 */
	std::string keywordLines("");

	keywordLines.append(line);
	keywordLines.append("\n");
/*
 *   Read additonal lines
 */
	for (;;) {
		return_value = check_line("surface_raw",TRUE,TRUE,TRUE,TRUE);
                                               /* empty, eof, keyword, print */
		if (return_value == EOF || return_value == KEYWORD ) break;
		keywordLines.append(line);
		keywordLines.append("\n");
	}

	std::istringstream iss_in(keywordLines);
	std::ostringstream oss_out;
	std::ostringstream oss_err;

	CParser parser(iss_in, oss_out, oss_err);
	//For testing, need to read line to get started
	std::vector<std::string> vopts;
	std::istream::pos_type next_char;
	parser.get_option(vopts, next_char);

	cxxSurface ex;
	ex.read_raw(parser);
	struct surface *surface_ptr = ex.cxxSurface2surface();
	int n;

	/*
	 *  This is not quite right, may not produce sort order
	 */

	if (surface_bsearch(surface_ptr->n_user, &n) != NULL) {
		surface_free(&surface[n]);
	} else {
		n=count_surface++;
		if (count_surface >= max_surface) {
			space ((void **) ((void *) &(surface)), count_surface, &max_surface, sizeof (struct surface *) );
		}
	}
	surface_copy(surface_ptr, &surface[n], surface_ptr->n_user);
	surface_free(surface_ptr);
	free_check_null(surface_ptr);
	return(return_value);
}
/* ---------------------------------------------------------------------- */
int read_equilibrium_phases_raw (void)
/* ---------------------------------------------------------------------- */
{
/*
 *      Reads EQUILIBRIUM_PHASES_RAW data block
 *
 *      Arguments:
 *         none
 *
 *      Returns:
 *         KEYWORD if keyword encountered, input_error may be incremented if
 *                    a keyword is encountered in an unexpected position
 *         EOF     if eof encountered while reading mass balance concentrations
 *         ERROR   if error occurred reading data
 *
 */
	int return_value;
	/*
	 *  Accumulate lines in std string
	 */
	std::string keywordLines("");

	keywordLines.append(line);
	keywordLines.append("\n");
/*
 *   Read additonal lines
 */
	for (;;) {
		return_value = check_line("equilibrium_phases_raw",TRUE,TRUE,TRUE,TRUE);
                                               /* empty, eof, keyword, print */
		if (return_value == EOF || return_value == KEYWORD ) break;
		keywordLines.append(line);
		keywordLines.append("\n");
	}

	std::istringstream iss_in(keywordLines);
	std::ostringstream oss_out;
	std::ostringstream oss_err;

	CParser parser(iss_in, oss_out, oss_err);
	//For testing, need to read line to get started
	std::vector<std::string> vopts;
	std::istream::pos_type next_char;
	parser.get_option(vopts, next_char);

	cxxPPassemblage ex;
	ex.read_raw(parser);
	struct pp_assemblage *pp_assemblage_ptr = ex.cxxPPassemblage2pp_assemblage();
	int n;

	/*
	 *  This is not quite right, may not produce sort order
	 */

	if (pp_assemblage_bsearch(pp_assemblage_ptr->n_user, &n) != NULL) {
		pp_assemblage_free(&pp_assemblage[n]);
	} else {
		n=count_pp_assemblage++;
		if (count_pp_assemblage >= max_pp_assemblage) {
			space ((void **) ((void *) &(pp_assemblage)), count_pp_assemblage, &max_pp_assemblage, sizeof (struct pp_assemblage *) );
		}
	}
	pp_assemblage_copy(pp_assemblage_ptr, &pp_assemblage[n], pp_assemblage_ptr->n_user);
	pp_assemblage_free(pp_assemblage_ptr);
	free_check_null(pp_assemblage_ptr);
	return(return_value);
}
/* ---------------------------------------------------------------------- */
int read_kinetics_raw (void)
/* ---------------------------------------------------------------------- */
{
/*
 *      Reads KINETICS_RAW data block
 *
 *      Arguments:
 *         none
 *
 *      Returns:
 *         KEYWORD if keyword encountered, input_error may be incremented if
 *                    a keyword is encountered in an unexpected position
 *         EOF     if eof encountered while reading mass balance concentrations
 *         ERROR   if error occurred reading data
 *
 */
	int return_value;
	/*
	 *  Accumulate lines in std string
	 */
	std::string keywordLines("");

	keywordLines.append(line);
	keywordLines.append("\n");
/*
 *   Read additonal lines
 */
	for (;;) {
		return_value = check_line("kinetics_raw",TRUE,TRUE,TRUE,TRUE);
                                               /* empty, eof, keyword, print */
		if (return_value == EOF || return_value == KEYWORD ) break;
		keywordLines.append(line);
		keywordLines.append("\n");
	}

	std::istringstream iss_in(keywordLines);
	std::ostringstream oss_out;
	std::ostringstream oss_err;

	CParser parser(iss_in, oss_out, oss_err);
	//For testing, need to read line to get started
	std::vector<std::string> vopts;
	std::istream::pos_type next_char;
	parser.get_option(vopts, next_char);

	cxxKinetics ex;
	ex.read_raw(parser);
	struct kinetics *kinetics_ptr = ex.cxxKinetics2kinetics();
	int n;

	/*
	 *  This is not quite right, may not produce sort order
	 */

	if (kinetics_bsearch(kinetics_ptr->n_user, &n) != NULL) {
		kinetics_free(&kinetics[n]);
	} else {
		n=count_kinetics++;
		if (count_kinetics >= max_kinetics) {
			space ((void **) ((void *) &(kinetics)), count_kinetics, &max_kinetics, sizeof (struct kinetics *) );
		}
	}
	kinetics_copy(kinetics_ptr, &kinetics[n], kinetics_ptr->n_user);
	kinetics_free(kinetics_ptr);
	free_check_null(kinetics_ptr);
	return(return_value);
}
/* ---------------------------------------------------------------------- */
int read_solid_solutions_raw (void)
/* ---------------------------------------------------------------------- */
{
/*
 *      Reads SOLID_SOLUTION_RAW data block
 *
 *      Arguments:
 *         none
 *
 *      Returns:
 *         KEYWORD if keyword encountered, input_error may be incremented if
 *                    a keyword is encountered in an unexpected position
 *         EOF     if eof encountered while reading mass balance concentrations
 *         ERROR   if error occurred reading data
 *
 */
	int return_value;
	/*
	 *  Accumulate lines in std string
	 */
	std::string keywordLines("");

	keywordLines.append(line);
	keywordLines.append("\n");
/*
 *   Read additonal lines
 */
	for (;;) {
		return_value = check_line("solid_solution_raw",TRUE,TRUE,TRUE,TRUE);
                                               /* empty, eof, keyword, print */
		if (return_value == EOF || return_value == KEYWORD ) break;
		keywordLines.append(line);
		keywordLines.append("\n");
	}

	std::istringstream iss_in(keywordLines);
	std::ostringstream oss_out;
	std::ostringstream oss_err;

	CParser parser(iss_in, oss_out, oss_err);
	//For testing, need to read line to get started
	std::vector<std::string> vopts;
	std::istream::pos_type next_char;
	parser.get_option(vopts, next_char);

	cxxSSassemblage ex;
	ex.read_raw(parser);
	struct s_s_assemblage *s_s_assemblage_ptr = ex.cxxSSassemblage2s_s_assemblage();
	int n;

	/*
	 *  This is not quite right, may not produce sort order
	 */

	if (s_s_assemblage_bsearch(s_s_assemblage_ptr->n_user, &n) != NULL) {
		s_s_assemblage_free(&s_s_assemblage[n]);
	} else {
		n=count_s_s_assemblage++;
		if (count_s_s_assemblage >= max_s_s_assemblage) {
			space ((void **) ((void *) &(s_s_assemblage)), count_s_s_assemblage, &max_s_s_assemblage, sizeof (struct s_s_assemblage *) );
		}
	}
	s_s_assemblage_copy(s_s_assemblage_ptr, &s_s_assemblage[n], s_s_assemblage_ptr->n_user);
	s_s_assemblage_free(s_s_assemblage_ptr);
	free_check_null(s_s_assemblage_ptr);
	return(return_value);
}
/* ---------------------------------------------------------------------- */
int read_gas_phase_raw (void)
/* ---------------------------------------------------------------------- */
{
/*
 *      Reads GAS_PHASE_RAW data block
 *
 *      Arguments:
 *         none
 *
 *      Returns:
 *         KEYWORD if keyword encountered, input_error may be incremented if
 *                    a keyword is encountered in an unexpected position
 *         EOF     if eof encountered while reading mass balance concentrations
 *         ERROR   if error occurred reading data
 *
 */
	int return_value;
	/*
	 *  Accumulate lines in std string
	 */
	std::string keywordLines("");

	keywordLines.append(line);
	keywordLines.append("\n");
/*
 *   Read additonal lines
 */
	for (;;) {
		return_value = check_line("solid_solution_raw",TRUE,TRUE,TRUE,TRUE);
                                               /* empty, eof, keyword, print */
		if (return_value == EOF || return_value == KEYWORD ) break;
		keywordLines.append(line);
		keywordLines.append("\n");
	}

	std::istringstream iss_in(keywordLines);
	std::ostringstream oss_out;
	std::ostringstream oss_err;

	CParser parser(iss_in, oss_out, oss_err);
	//For testing, need to read line to get started
	std::vector<std::string> vopts;
	std::istream::pos_type next_char;
	parser.get_option(vopts, next_char);

	cxxGasPhase ex;
	ex.read_raw(parser);
	struct gas_phase *gas_phase_ptr = ex.cxxGasPhase2gas_phase();
	int n;

	/*
	 *  This is not quite right, may not produce sort order
	 */

	if (gas_phase_bsearch(gas_phase_ptr->n_user, &n) != NULL) {
		gas_phase_free(&gas_phase[n]);
	} else {
		n=count_gas_phase++;
		if (count_gas_phase >= max_gas_phase) {
			space ((void **) ((void *) &(gas_phase)), count_gas_phase, &max_gas_phase, sizeof (struct gas_phase *) );
		}
	}
	gas_phase_copy(gas_phase_ptr, &gas_phase[n], gas_phase_ptr->n_user);
	gas_phase_free(gas_phase_ptr);
	free_check_null(gas_phase_ptr);
	return(return_value);
}
/* ---------------------------------------------------------------------- */
int read_reaction_raw (void)
/* ---------------------------------------------------------------------- */
{
/*
 *      Reads REACTION_RAW data block
 *
 *      Arguments:
 *         none
 *
 *      Returns:
 *         KEYWORD if keyword encountered, input_error may be incremented if
 *                    a keyword is encountered in an unexpected position
 *         EOF     if eof encountered while reading mass balance concentrations
 *         ERROR   if error occurred reading data
 *
 */
	int return_value;
	/*
	 *  Accumulate lines in std string
	 */
	std::string keywordLines("");

	keywordLines.append(line);
	keywordLines.append("\n");
/*
 *   Read additonal lines
 */
	for (;;) {
		return_value = check_line("solid_solution_raw",TRUE,TRUE,TRUE,TRUE);
                                               /* empty, eof, keyword, print */
		if (return_value == EOF || return_value == KEYWORD ) break;
		keywordLines.append(line);
		keywordLines.append("\n");
	}

	std::istringstream iss_in(keywordLines);
	std::ostringstream oss_out;
	std::ostringstream oss_err;

	CParser parser(iss_in, oss_out, oss_err);
	//For testing, need to read line to get started
	std::vector<std::string> vopts;
	std::istream::pos_type next_char;
	parser.get_option(vopts, next_char);

	cxxReaction ex;
	ex.read_raw(parser);
	struct irrev *irrev_ptr = ex.cxxReaction2irrev();
	int n;

	/*
	 *  This is not quite right, may not produce sort order
	 */

	if (irrev_bsearch(irrev_ptr->n_user, &n) != NULL) {
		irrev_free(&irrev[n]);
	} else {
		n=count_irrev++;
		irrev = (struct irrev *) PHRQ_realloc(irrev, (size_t) count_irrev * sizeof (struct irrev));
		if (irrev == NULL) malloc_error();
	}
	irrev_copy(irrev_ptr, &irrev[n], irrev_ptr->n_user);
	irrev_free(irrev_ptr);
	free_check_null(irrev_ptr);
	return(return_value);
}
/* ---------------------------------------------------------------------- */
int read_mix_raw (void)
/* ---------------------------------------------------------------------- */
{
/*
 *      Reads MIX (_RAW) data block
 *
 *      Arguments:
 *         none
 *
 *      Returns:
 *         KEYWORD if keyword encountered, input_error may be incremented if
 *                    a keyword is encountered in an unexpected position
 *         EOF     if eof encountered while reading mass balance concentrations
 *         ERROR   if error occurred reading data
 *
 */
	int return_value;
	/*
	 *  Accumulate lines in std string
	 */
	std::string keywordLines("");

	keywordLines.append(line);
	keywordLines.append("\n");
/*
 *   Read additonal lines
 */
	for (;;) {
		return_value = check_line("solid_solution_raw",TRUE,TRUE,TRUE,TRUE);
                                               /* empty, eof, keyword, print */
		if (return_value == EOF || return_value == KEYWORD ) break;
		keywordLines.append(line);
		keywordLines.append("\n");
	}

	std::istringstream iss_in(keywordLines);
	std::ostringstream oss_out;
	std::ostringstream oss_err;

	CParser parser(iss_in, oss_out, oss_err);
	//For testing, need to read line to get started
	std::vector<std::string> vopts;
	std::istream::pos_type next_char;
	parser.get_option(vopts, next_char);

	cxxMix ex;
	ex.read_raw(parser);
	struct mix *mix_ptr = ex.cxxMix2mix();
	int n;

	/*
	 *  This is not quite right, may not produce sort order
	 */

	if (mix_bsearch(mix_ptr->n_user, &n) != NULL) {
		mix_free(&mix[n]);
	} else {
		n=count_mix++;
		mix = (struct mix *) PHRQ_realloc(mix, (size_t) count_mix * sizeof (struct mix));
		if (mix == NULL) malloc_error();
	}
	mix_copy(mix_ptr, &mix[n], mix_ptr->n_user);
	mix_free(mix_ptr);
	free_check_null(mix_ptr);
	return(return_value);
}
/* ---------------------------------------------------------------------- */
int read_temperature_raw (void)
/* ---------------------------------------------------------------------- */
{
/*
 *      Reads TEMPERATURE (_RAW) data block
 *
 *      Arguments:
 *         none
 *
 *      Returns:
 *         KEYWORD if keyword encountered, input_error may be incremented if
 *                    a keyword is encountered in an unexpected position
 *         EOF     if eof encountered while reading mass balance concentrations
 *         ERROR   if error occurred reading data
 *
 */
	int return_value;
	/*
	 *  Accumulate lines in std string
	 */
	std::string keywordLines("");

	keywordLines.append(line);
	keywordLines.append("\n");
/*
 *   Read additonal lines
 */
	for (;;) {
		return_value = check_line("solid_solution_raw",TRUE,TRUE,TRUE,TRUE);
                                               /* empty, eof, keyword, print */
		if (return_value == EOF || return_value == KEYWORD ) break;
		keywordLines.append(line);
		keywordLines.append("\n");
	}

	std::istringstream iss_in(keywordLines);
	std::ostringstream oss_out;
	std::ostringstream oss_err;

	CParser parser(iss_in, oss_out, oss_err);
	//For testing, need to read line to get started
	std::vector<std::string> vopts;
	std::istream::pos_type next_char;
	parser.get_option(vopts, next_char);

	cxxTemperature ex;
	ex.read_raw(parser);
	struct temperature *temperature_ptr = ex.cxxTemperature2temperature();
	int n;

	/*
	 *  This is not quite right, may not produce sort order
	 */

	if (temperature_bsearch(temperature_ptr->n_user, &n) != NULL) {
		temperature_free(&temperature[n]);
	} else {
		n=count_temperature++;
		temperature = (struct temperature *) PHRQ_realloc(temperature, (size_t) count_temperature * sizeof (struct temperature));
		if (temperature == NULL) malloc_error();
	}
	temperature_copy(temperature_ptr, &temperature[n], temperature_ptr->n_user);
	temperature_free(temperature_ptr);
	free_check_null(temperature_ptr);
	return(return_value);
}