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iphreeqc/ReadClass.cxx
David L Parkhurst 65ff0a9456 Fixed Makefile on Linux to make class version. 
Added eol and other changes for linux.

Had statics in ReadClass.cxx, removed.

Problems with .dmp files. May be because of statics.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3879 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-08 23:58:06 +00:00

2419 lines
60 KiB
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#ifdef _DEBUG
#pragma warning(disable : 4786) // disable truncation warning (Only used by debugger)
#endif
#include <iostream>
#include <fstream>
#include <sstream>
#if !defined(PHREEQC_CLASS)
#define EXTERNAL extern
#include "global.h"
#else
#include "Phreeqc.h"
#endif
#include "Phreeqc_class.h"
#include "Parser.h"
#include "Solution.h"
#include "Exchange.h"
#include "Surface.h"
#include "PPassemblage.h"
#include "cxxKinetics.h"
#include "SSassemblage.h"
#include "GasPhase.h"
#include "Reaction.h"
#include "cxxMix.h"
#include "Temperature.h"
#include "dumper.h"
#include "runner.h"
#include "cxxMix.h"
#include "phqalloc.h"
#include "phrqproto.h"
#include "output.h"
#if !defined(PHREEQC_CLASS)
static int streamify_to_next_keyword(std::istringstream & lines);
extern int reading_database(void);
extern int check_line(const char *string, int allow_empty, int allow_eof,
int allow_keyword, int print);
extern int set_use(void);
extern int copy_use(int i);
dumper dump_info;
StorageBinList delete_info;
runner run_info;
#endif
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
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
*/
int save_echo_input = pr.echo_input;
pr.echo_input = FALSE;
for (;;)
{
return_value = check_line("solution_raw", TRUE, TRUE, TRUE, FALSE);
/* empty, eof, keyword, print */
if (return_value == EOF || return_value == KEYWORD)
break;
keywordLines.append(line);
keywordLines.append("\n");
}
pr.echo_input = save_echo_input;
std::istringstream iss_in(keywordLines);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
//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(PHREEQC_THIS_COMMA parser);
struct solution *soln_ptr = sol.cxxSolution2solution(PHREEQC_THIS);
int n;
/*
* This is not quite right, may not produce sort order, forced sort
*/
if (solution_bsearch(soln_ptr->n_user, &n, FALSE) != NULL)
{
solution_free(solution[n]);
solution[n] = soln_ptr;
}
else
{
n = count_solution++;
if (count_solution >= max_solution)
{
space((void **) ((void *) &(solution)), count_solution,
&max_solution, sizeof(struct solution *));
}
solution[n] = soln_ptr;
solution_sort();
}
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
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
*/
int save_echo_input = pr.echo_input;
pr.echo_input = FALSE;
for (;;)
{
return_value = check_line("exchange_raw", TRUE, TRUE, TRUE, FALSE);
/* empty, eof, keyword, print */
if (return_value == EOF || return_value == KEYWORD)
break;
keywordLines.append(line);
keywordLines.append("\n");
}
pr.echo_input = save_echo_input;
std::istringstream iss_in(keywordLines);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
//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(PHREEQC_THIS_COMMA parser);
struct exchange *exchange_ptr = ex.cxxExchange2exchange(PHREEQC_THIS);
int n;
/*
* This is not quite right, may not produce sort order, forced sort
*/
if (exchange_bsearch(exchange_ptr->n_user, &n) != NULL)
{
exchange_free(&exchange[n]);
exchange_copy(exchange_ptr, &exchange[n], exchange_ptr->n_user);
}
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_sort();
}
exchange_free(exchange_ptr);
free_check_null(exchange_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
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
*/
int save_echo_input = pr.echo_input;
pr.echo_input = FALSE;
for (;;)
{
return_value = check_line("surface_raw", TRUE, TRUE, TRUE, FALSE);
/* empty, eof, keyword, print */
if (return_value == EOF || return_value == KEYWORD)
break;
keywordLines.append(line);
keywordLines.append("\n");
}
pr.echo_input = save_echo_input;
std::istringstream iss_in(keywordLines);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
//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(PHREEQC_THIS_COMMA parser);
struct surface *surface_ptr = ex.cxxSurface2surface(PHREEQC_THIS);
int n;
/*
* This is not quite right, may not produce sort order, forced sort
*/
if (surface_bsearch(surface_ptr->n_user, &n) != NULL)
{
surface_free(&surface[n]);
surface_copy(surface_ptr, &surface[n], surface_ptr->n_user);
}
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_sort();
}
surface_free(surface_ptr);
free_check_null(surface_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
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
*/
int save_echo_input = pr.echo_input;
pr.echo_input = FALSE;
for (;;)
{
return_value =
check_line("equilibrium_phases_raw", TRUE, TRUE, TRUE, FALSE);
/* empty, eof, keyword, print */
if (return_value == EOF || return_value == KEYWORD)
break;
keywordLines.append(line);
keywordLines.append("\n");
}
pr.echo_input = save_echo_input;
std::istringstream iss_in(keywordLines);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
//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(PHREEQC_THIS_COMMA parser);
struct pp_assemblage *pp_assemblage_ptr = ex.cxxPPassemblage2pp_assemblage(PHREEQC_THIS);
int n;
/*
* This is not quite right, may not produce sort order, forced sort
*/
if (pp_assemblage_bsearch(pp_assemblage_ptr->n_user, &n) != NULL)
{
pp_assemblage_free(&pp_assemblage[n]);
pp_assemblage_copy(pp_assemblage_ptr, &pp_assemblage[n],
pp_assemblage_ptr->n_user);
}
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_sort();
}
pp_assemblage_free(pp_assemblage_ptr);
free_check_null(pp_assemblage_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
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
*/
int save_echo_input = pr.echo_input;
pr.echo_input = FALSE;
for (;;)
{
return_value = check_line("kinetics_raw", TRUE, TRUE, TRUE, FALSE);
/* empty, eof, keyword, print */
if (return_value == EOF || return_value == KEYWORD)
break;
keywordLines.append(line);
keywordLines.append("\n");
}
pr.echo_input = save_echo_input;
std::istringstream iss_in(keywordLines);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
//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(PHREEQC_THIS_COMMA parser);
struct kinetics *kinetics_ptr = ex.cxxKinetics2kinetics(PHREEQC_THIS);
int n;
/*
* This is not quite right, may not produce sort order, forced sort
*/
if (kinetics_bsearch(kinetics_ptr->n_user, &n) != NULL)
{
kinetics_free(&kinetics[n]);
kinetics_copy(kinetics_ptr, &kinetics[n], kinetics_ptr->n_user);
}
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_sort();
}
kinetics_free(kinetics_ptr);
free_check_null(kinetics_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
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
*/
int save_echo_input = pr.echo_input;
pr.echo_input = FALSE;
for (;;)
{
return_value =
check_line("solid_solution_raw", TRUE, TRUE, TRUE, FALSE);
/* empty, eof, keyword, print */
if (return_value == EOF || return_value == KEYWORD)
break;
keywordLines.append(line);
keywordLines.append("\n");
}
pr.echo_input = save_echo_input;
std::istringstream iss_in(keywordLines);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
//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(PHREEQC_THIS_COMMA parser);
struct s_s_assemblage *s_s_assemblage_ptr = ex.cxxSSassemblage2s_s_assemblage(PHREEQC_THIS);
int n;
/*
* This is not quite right, may not produce sort order, forced sort
*/
if (s_s_assemblage_bsearch(s_s_assemblage_ptr->n_user, &n) != NULL)
{
s_s_assemblage_free(&s_s_assemblage[n]);
s_s_assemblage_copy(s_s_assemblage_ptr, &s_s_assemblage[n],
s_s_assemblage_ptr->n_user);
}
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_sort();
}
s_s_assemblage_free(s_s_assemblage_ptr);
free_check_null(s_s_assemblage_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
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
*/
int save_echo_input = pr.echo_input;
pr.echo_input = FALSE;
for (;;)
{
return_value = check_line("gas_phase_raw", TRUE, TRUE, TRUE, FALSE);
/* empty, eof, keyword, print */
if (return_value == EOF || return_value == KEYWORD)
break;
keywordLines.append(line);
keywordLines.append("\n");
}
pr.echo_input = save_echo_input;
std::istringstream iss_in(keywordLines);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
//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(PHREEQC_THIS_COMMA parser);
struct gas_phase *gas_phase_ptr = ex.cxxGasPhase2gas_phase(PHREEQC_THIS);
int n;
/*
* This is not quite right, may not produce sort order, forced sort
*/
if (gas_phase_bsearch(gas_phase_ptr->n_user, &n) != NULL)
{
gas_phase_free(&gas_phase[n]);
gas_phase_copy(gas_phase_ptr, &gas_phase[n], gas_phase_ptr->n_user);
}
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_sort();
}
gas_phase_free(gas_phase_ptr);
free_check_null(gas_phase_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
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
*/
int save_echo_input = pr.echo_input;
pr.echo_input = FALSE;
for (;;)
{
return_value = check_line("reaction_raw", TRUE, TRUE, TRUE, FALSE);
/* empty, eof, keyword, print */
if (return_value == EOF || return_value == KEYWORD)
break;
keywordLines.append(line);
keywordLines.append("\n");
}
pr.echo_input = save_echo_input;
std::istringstream iss_in(keywordLines);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
//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(PHREEQC_THIS_COMMA parser);
struct irrev *irrev_ptr = ex.cxxReaction2irrev(PHREEQC_THIS);
int n;
/*
* This is not quite right, may not produce sort order, forced sort
*/
if (irrev_bsearch(irrev_ptr->n_user, &n) != NULL)
{
irrev_free(&irrev[n]);
irrev_copy(irrev_ptr, &irrev[n], irrev_ptr->n_user);
}
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_sort();
}
irrev_free(irrev_ptr);
free_check_null(irrev_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
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
*/
int save_echo_input = pr.echo_input;
pr.echo_input = FALSE;
for (;;)
{
return_value = check_line("mix_raw", TRUE, TRUE, TRUE, FALSE);
/* empty, eof, keyword, print */
if (return_value == EOF || return_value == KEYWORD)
break;
keywordLines.append(line);
keywordLines.append("\n");
}
pr.echo_input = save_echo_input;
std::istringstream iss_in(keywordLines);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
//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(PHREEQC_THIS);
int n;
/*
* This is not quite right, may not produce sort order, forced sort
*/
if (mix_bsearch(mix_ptr->n_user, &n) != NULL)
{
mix_free(&mix[n]);
mix_copy(mix_ptr, &mix[n], mix_ptr->n_user);
}
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_sort();
}
mix_free(mix_ptr);
free_check_null(mix_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
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
*/
int save_echo_input = pr.echo_input;
pr.echo_input = FALSE;
for (;;)
{
return_value = check_line("temperature_raw", TRUE, TRUE, TRUE, FALSE);
/* empty, eof, keyword, print */
if (return_value == EOF || return_value == KEYWORD)
break;
keywordLines.append(line);
keywordLines.append("\n");
}
pr.echo_input = save_echo_input;
std::istringstream iss_in(keywordLines);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
//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(PHREEQC_THIS);
int n;
/*
* This is not quite right, may not produce sort order, forced sort
*/
if (temperature_bsearch(temperature_ptr->n_user, &n) != NULL)
{
temperature_free(&temperature[n]);
temperature_copy(temperature_ptr, &temperature[n],
temperature_ptr->n_user);
}
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_sort();
}
temperature_free(temperature_ptr);
free_check_null(temperature_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
read_dump(void)
/* ---------------------------------------------------------------------- */
{
/*
* Reads DUMP 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;
/*
* Make parser
*/
std::istringstream iss_in;
return_value = streamify_to_next_keyword(iss_in);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
//For testing, need to read line to get started
parser.set_echo_file(CParser::EO_NONE);
std::vector < std::string > vopts;
std::istream::pos_type next_char;
parser.get_option(vopts, next_char);
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
dumper dmp(parser);
dump_info = dmp;
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
read_delete(void)
/* ---------------------------------------------------------------------- */
{
/*
* Reads DELETE 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;
/*
* Make parser
*/
std::istringstream iss_in;
return_value = streamify_to_next_keyword(iss_in);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
//For testing, need to read line to get started
parser.set_echo_file(CParser::EO_NONE);
std::vector < std::string > vopts;
std::istream::pos_type next_char;
parser.get_option(vopts, next_char);
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
StorageBinList deleter(parser);
delete_info = deleter;
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
read_run_cells(void)
/* ---------------------------------------------------------------------- */
{
/*
* Reads DELETE 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;
/*
* Make parser
*/
std::istringstream iss_in;
return_value = streamify_to_next_keyword(iss_in);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
//For testing, need to read line to get started
parser.set_echo_file(CParser::EO_NONE);
std::vector < std::string > vopts;
std::istream::pos_type next_char;
parser.get_option(vopts, next_char);
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
runner r(parser);
run_info = r;
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
read_solution_modify(void)
/* ---------------------------------------------------------------------- */
{
/*
* Reads solution_modify 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;
// find solution number
char token[MAX_LENGTH];
char *next;
int l, n_user, n;
next = line;
copy_token(token, &next, &l);
if (copy_token(token, &next, &l) != DIGIT)
{
input_error++;
sprintf(error_string, "Expected solution number following SOLUTION_MODIFY.\n%s\n", line_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}
else
{
sscanf(token,"%d", &n_user);
}
/*
* Make parser
*/
std::istringstream iss_in;
return_value = streamify_to_next_keyword(iss_in);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
//For testing, need to read line to get started
parser.set_echo_file(CParser::EO_NONE);
std::vector < std::string > vopts;
std::istream::pos_type next_char;
parser.get_option(vopts, next_char);
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
if (solution_bsearch(n_user, &n, FALSE) == NULL)
{
input_error++;
sprintf(error_string, "Solution %d not found for SOLUTION_MODIFY.\n%s\n", n_user, line_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}
cxxSolution sol(solution[n]);
sol.read_raw(PHREEQC_THIS_COMMA parser, false);
struct solution *soln_ptr = sol.cxxSolution2solution(PHREEQC_THIS);
/*
* This is not quite right, may not produce sort order, forced sort
*/
solution_free(solution[n]);
solution[n] = soln_ptr;
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
read_equilibrium_phases_modify(void)
/* ---------------------------------------------------------------------- */
{
/*
* Reads equilibrium_phases_modify 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;
// find equilibrium_phases number
char token[MAX_LENGTH];
char *next;
int l, n_user, n;
next = line;
copy_token(token, &next, &l);
if (copy_token(token, &next, &l) != DIGIT)
{
input_error++;
sprintf(error_string, "Expected equilibrium_phases number following EQUILIBRIUM_PHASES_MODIFY.\n%s\n", line_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}
else
{
sscanf(token,"%d", &n_user);
}
/*
* Make parser
*/
std::istringstream iss_in;
return_value = streamify_to_next_keyword(iss_in);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
//For testing, need to read line to get started
parser.set_echo_file(CParser::EO_NONE);
std::vector < std::string > vopts;
std::istream::pos_type next_char;
parser.get_option(vopts, next_char);
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
if (pp_assemblage_bsearch(n_user, &n) == NULL)
{
input_error++;
sprintf(error_string, "Equlibrium_phases %d not found for EQUILIBRIUM_PHASES_MODIFY.\n%s\n", n_user, line_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}
// read entity
cxxPPassemblage entity(&(pp_assemblage[n]));
entity.read_raw(PHREEQC_THIS_COMMA parser, false);
// save entity
struct pp_assemblage *entity_ptr = entity.cxxPPassemblage2pp_assemblage(PHREEQC_THIS);
pp_assemblage_free(&(pp_assemblage[n]));
pp_assemblage_copy(entity_ptr, &(pp_assemblage[n]), entity_ptr->n_user);
free_check_null(pp_assemblage[n].description);
pp_assemblage[n].description = string_duplicate(entity_ptr->description);
pp_assemblage_free(entity_ptr);
free_check_null(entity_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
read_exchange_modify(void)
/* ---------------------------------------------------------------------- */
{
/*
* Reads EXCHANGE_MODIFY 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;
// find exchange number
char token[MAX_LENGTH];
char *next;
int l, n_user, n;
next = line;
copy_token(token, &next, &l);
if (copy_token(token, &next, &l) != DIGIT)
{
input_error++;
sprintf(error_string, "Expected exchange number following EXCHANGE_MODIFY.\n%s\n", line_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}
else
{
sscanf(token,"%d", &n_user);
}
/*
* Make parser
*/
std::istringstream iss_in;
return_value = streamify_to_next_keyword(iss_in);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
//For testing, need to read line to get started
parser.set_echo_file(CParser::EO_NONE);
std::vector < std::string > vopts;
std::istream::pos_type next_char;
parser.get_option(vopts, next_char);
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
if (exchange_bsearch(n_user, &n) == NULL)
{
input_error++;
sprintf(error_string, "Exchange %d not found for EXCHANGE_MODIFY.\n%s\n", n_user, line_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}
// read entity
cxxExchange entity(&(exchange[n]));
entity.read_raw(PHREEQC_THIS_COMMA parser, false);
// save entity
struct exchange *entity_ptr = entity.cxxExchange2exchange(PHREEQC_THIS);
exchange_free(&(exchange[n]));
exchange_copy(entity_ptr, &(exchange[n]), entity_ptr->n_user);
free_check_null(exchange[n].description);
exchange[n].description = string_duplicate(entity_ptr->description);
exchange_free(entity_ptr);
free_check_null(entity_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
read_surface_modify(void)
/* ---------------------------------------------------------------------- */
{
/*
* Reads SURFACE_MODIFY 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;
// find surface number
char token[MAX_LENGTH];
char *next;
int l, n_user, n;
next = line;
copy_token(token, &next, &l);
if (copy_token(token, &next, &l) != DIGIT)
{
input_error++;
sprintf(error_string, "Expected surface number following SURFACE_MODIFY.\n%s\n", line_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}
else
{
sscanf(token,"%d", &n_user);
}
/*
* Make parser
*/
std::istringstream iss_in;
return_value = streamify_to_next_keyword(iss_in);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
//For testing, need to read line to get started
parser.set_echo_file(CParser::EO_NONE);
std::vector < std::string > vopts;
std::istream::pos_type next_char;
parser.get_option(vopts, next_char);
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
if (surface_bsearch(n_user, &n) == NULL)
{
input_error++;
sprintf(error_string, "Surface %d not found for SURFACE_MODIFY.\n%s\n", n_user, line_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}
// read entity
cxxSurface entity(&(surface[n]));
entity.read_raw(PHREEQC_THIS_COMMA parser, false);
// save entity
struct surface *entity_ptr = entity.cxxSurface2surface(PHREEQC_THIS);
surface_free(&(surface[n]));
surface_copy(entity_ptr, &(surface[n]), entity_ptr->n_user);
free_check_null(surface[n].description);
surface[n].description = string_duplicate(entity_ptr->description);
surface_free(entity_ptr);
free_check_null(entity_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
read_solid_solutions_modify(void)
/* ---------------------------------------------------------------------- */
{
/*
* Reads SOLID_SOLUTIONS_MODIFY 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;
// find solid_solutions number
char token[MAX_LENGTH];
char *next;
int l, n_user, n;
next = line;
copy_token(token, &next, &l);
if (copy_token(token, &next, &l) != DIGIT)
{
input_error++;
sprintf(error_string, "Expected solid_solutions number following SOLID_SOLUTIONS_MODIFY.\n%s\n", line_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}
else
{
sscanf(token,"%d", &n_user);
}
/*
* Make parser
*/
std::istringstream iss_in;
return_value = streamify_to_next_keyword(iss_in);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
//For testing, need to read line to get started
parser.set_echo_file(CParser::EO_NONE);
std::vector < std::string > vopts;
std::istream::pos_type next_char;
parser.get_option(vopts, next_char);
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
if (s_s_assemblage_bsearch(n_user, &n) == NULL)
{
input_error++;
sprintf(error_string, "Solid_solutions %d not found for SOLID_SOLUTIONS_MODIFY.\n%s\n", n_user, line_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}
// read entity
cxxSSassemblage entity(&(s_s_assemblage[n]));
entity.read_raw(PHREEQC_THIS_COMMA parser, false);
// save entity
struct s_s_assemblage *entity_ptr = entity.cxxSSassemblage2s_s_assemblage(PHREEQC_THIS);
s_s_assemblage_free(&(s_s_assemblage[n]));
s_s_assemblage_copy(entity_ptr, &(s_s_assemblage[n]), entity_ptr->n_user);
free_check_null(s_s_assemblage[n].description);
s_s_assemblage[n].description = string_duplicate(entity_ptr->description);
s_s_assemblage_free(entity_ptr);
free_check_null(entity_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
read_gas_phase_modify(void)
/* ---------------------------------------------------------------------- */
{
/*
* Reads GAS_PHASE_MODIFY 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;
// find gas_phase number
char token[MAX_LENGTH];
char *next;
int l, n_user, n;
next = line;
copy_token(token, &next, &l);
if (copy_token(token, &next, &l) != DIGIT)
{
input_error++;
sprintf(error_string, "Expected gas_phase number following GAS_PHASE_MODIFY.\n%s\n", line_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}
else
{
sscanf(token,"%d", &n_user);
}
/*
* Make parser
*/
std::istringstream iss_in;
return_value = streamify_to_next_keyword(iss_in);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
//For testing, need to read line to get started
parser.set_echo_file(CParser::EO_NONE);
std::vector < std::string > vopts;
std::istream::pos_type next_char;
parser.get_option(vopts, next_char);
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
if (gas_phase_bsearch(n_user, &n) == NULL)
{
input_error++;
sprintf(error_string, "Gas_phase %d not found for GAS_PHASE_MODIFY.\n%s\n", n_user, line_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}
// read entity
cxxGasPhase entity(&(gas_phase[n]));
entity.read_raw(PHREEQC_THIS_COMMA parser, false);
// save entity
struct gas_phase *entity_ptr = entity.cxxGasPhase2gas_phase(PHREEQC_THIS);
gas_phase_free(&(gas_phase[n]));
gas_phase_copy(entity_ptr, &(gas_phase[n]), entity_ptr->n_user);
free_check_null(gas_phase[n].description);
gas_phase[n].description = string_duplicate(entity_ptr->description);
gas_phase_free(entity_ptr);
free_check_null(entity_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
read_kinetics_modify(void)
/* ---------------------------------------------------------------------- */
{
/*
* Reads KINETICS_MODIFY 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;
// find kinetics number
char token[MAX_LENGTH];
char *next;
int l, n_user, n;
next = line;
copy_token(token, &next, &l);
if (copy_token(token, &next, &l) != DIGIT)
{
input_error++;
sprintf(error_string, "Expected kinetics number following KINETICS_MODIFY.\n%s\n", line_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}
else
{
sscanf(token,"%d", &n_user);
}
/*
* Make parser
*/
std::istringstream iss_in;
return_value = streamify_to_next_keyword(iss_in);
std::ostringstream oss_out;
std::ostringstream oss_err;
CParser parser(PHREEQC_THIS_COMMA iss_in, oss_out, oss_err);
assert(!reading_database());
//For testing, need to read line to get started
parser.set_echo_file(CParser::EO_NONE);
std::vector < std::string > vopts;
std::istream::pos_type next_char;
parser.get_option(vopts, next_char);
if (pr.echo_input == FALSE)
{
parser.set_echo_file(CParser::EO_NONE);
}
else
{
parser.set_echo_file(CParser::EO_NOKEYWORDS);
}
if (kinetics_bsearch(n_user, &n) == NULL)
{
input_error++;
sprintf(error_string, "Kinetics %d not found for KINETICS_MODIFY.\n%s\n", n_user, line_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}
// read entity
cxxKinetics entity(&(kinetics[n]));
entity.read_raw(PHREEQC_THIS_COMMA parser, false);
// save entity
struct kinetics *entity_ptr = entity.cxxKinetics2kinetics(PHREEQC_THIS);
kinetics_free(&(kinetics[n]));
kinetics_copy(entity_ptr, &(kinetics[n]), entity_ptr->n_user);
free_check_null(kinetics[n].description);
kinetics[n].description = string_duplicate(entity_ptr->description);
kinetics_free(entity_ptr);
free_check_null(entity_ptr);
// Need to output the next keyword
output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
return (return_value);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
streamify_to_next_keyword(std::istringstream & lines)
/* ---------------------------------------------------------------------- */
{
/*
* Reads to next keyword or eof
*
* Returns:
* OPTION_KEYWORD
* OPTION_EOF
*
*/
// Handle echo
int save_echo_input = pr.echo_input;
pr.echo_input = FALSE;
std::string accumulate(line);
accumulate.append("\n");
int j;
for (;;)
{
j = check_line("Streamify", FALSE, TRUE, TRUE, FALSE);
if (j == EOF)
{ /* end of file */
break;
}
else if (j == KEYWORD)
{ /* keyword */
break;
}
else
{
accumulate.append(line);
accumulate.append("\n");
}
}
lines.str(accumulate);
//std::cerr << accumulate;
pr.echo_input = save_echo_input;
if (j == EOF) return (OPTION_EOF);
if (j == KEYWORD) return (OPTION_KEYWORD);
return (OPTION_ERROR);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
dump_entities(void)
/* ---------------------------------------------------------------------- */
{
int i, n, return_value;
return_value = OK;
if (!dump_info.Get_bool_solution() &&
!dump_info.Get_bool_pp_assemblage() &&
!dump_info.Get_bool_exchange() &&
!dump_info.Get_bool_surface() &&
!dump_info.Get_bool_s_s_assemblage() &&
!dump_info.Get_bool_gas_phase() &&
!dump_info.Get_bool_kinetics())
{
return(OK);
}
std::ofstream dump_stream;
if (dump_info.get_append())
{
//dump_stream.open(dump_info.get_file_name(), std::ios_base::app);
dump_stream.open(dump_info.get_file_name().c_str(), std::ios_base::app);
}
else
{
dump_stream.open(dump_info.get_file_name().c_str());
}
if (!dump_stream.is_open())
{
sprintf(error_string, "Unable to open dump file \"%s\"", dump_info.get_file_name().c_str());
error_msg(error_string, STOP);
}
// solutions
if (dump_info.Get_bool_solution())
{
if (dump_info.Get_solution().size() == 0)
{
for (i = 0; i < count_solution; i++)
{
cxxSolution cxxsoln(solution[i]);
cxxsoln.dump_raw(dump_stream,0);
}
}
else
{
std::set < int >::iterator it;
for (it = dump_info.Get_solution().begin(); it != dump_info.Get_solution().end(); it++)
{
if (solution_bsearch(*it, &n, FALSE) != NULL)
{
cxxSolution cxxsoln(solution[n]);
cxxsoln.dump_raw(dump_stream,0);
}
}
}
}
// pp_assemblages
if (dump_info.Get_bool_pp_assemblage())
{
if (dump_info.Get_pp_assemblage().size() == 0)
{
for (i = 0; i < count_pp_assemblage; i++)
{
cxxPPassemblage cxxentity(&pp_assemblage[i]);
cxxentity.dump_raw(dump_stream,0);
}
}
else
{
std::set < int >::iterator it;
for (it = dump_info.Get_pp_assemblage().begin(); it != dump_info.Get_pp_assemblage().end(); it++)
{
if (pp_assemblage_bsearch(*it, &n) != NULL)
{
cxxPPassemblage cxxentity(&pp_assemblage[n]);
cxxentity.dump_raw(dump_stream,0);
}
}
}
}
// exchanges
if (dump_info.Get_bool_exchange())
{
if (dump_info.Get_exchange().size() == 0)
{
for (i = 0; i < count_exchange; i++)
{
cxxExchange cxxentity(&exchange[i]);
cxxentity.dump_raw(dump_stream,0);
}
}
else
{
std::set < int >::iterator it;
for (it = dump_info.Get_exchange().begin(); it != dump_info.Get_exchange().end(); it++)
{
if (exchange_bsearch(*it, &n) != NULL)
{
cxxExchange cxxentity(&exchange[n]);
cxxentity.dump_raw(dump_stream,0);
}
}
}
}
// surfaces
if (dump_info.Get_bool_surface())
{
if (dump_info.Get_surface().size() == 0)
{
for (i = 0; i < count_surface; i++)
{
cxxSurface cxxentity(&surface[i]);
cxxentity.dump_raw(dump_stream,0);
}
}
else
{
std::set < int >::iterator it;
for (it = dump_info.Get_surface().begin(); it != dump_info.Get_surface().end(); it++)
{
if (surface_bsearch(*it, &n) != NULL)
{
cxxSurface cxxentity(&surface[n]);
cxxentity.dump_raw(dump_stream,0);
}
}
}
}
// s_s_assemblages
if (dump_info.Get_bool_s_s_assemblage())
{
if (dump_info.Get_s_s_assemblage().size() == 0)
{
for (i = 0; i < count_s_s_assemblage; i++)
{
cxxSSassemblage cxxentity(&s_s_assemblage[i]);
cxxentity.dump_raw(dump_stream,0);
}
}
else
{
std::set < int >::iterator it;
for (it = dump_info.Get_s_s_assemblage().begin(); it != dump_info.Get_s_s_assemblage().end(); it++)
{
if (s_s_assemblage_bsearch(*it, &n) != NULL)
{
cxxSSassemblage cxxentity(&s_s_assemblage[n]);
cxxentity.dump_raw(dump_stream,0);
}
}
}
}
// gas_phases
if (dump_info.Get_bool_gas_phase())
{
if (dump_info.Get_gas_phase().size() == 0)
{
for (i = 0; i < count_gas_phase; i++)
{
cxxGasPhase cxxentity(&gas_phase[i]);
cxxentity.dump_raw(dump_stream,0);
}
}
else
{
std::set < int >::iterator it;
for (it = dump_info.Get_gas_phase().begin(); it != dump_info.Get_gas_phase().end(); it++)
{
if (gas_phase_bsearch(*it, &n) != NULL)
{
cxxGasPhase cxxentity(&gas_phase[n]);
cxxentity.dump_raw(dump_stream,0);
}
}
}
}
// kineticss
if (dump_info.Get_bool_kinetics())
{
if (dump_info.Get_kinetics().size() == 0)
{
for (i = 0; i < count_kinetics; i++)
{
cxxKinetics cxxentity(&kinetics[i]);
cxxentity.dump_raw(dump_stream,0);
}
}
else
{
std::set < int >::iterator it;
for (it = dump_info.Get_kinetics().begin(); it != dump_info.Get_kinetics().end(); it++)
{
if (kinetics_bsearch(*it, &n) != NULL)
{
cxxKinetics cxxentity(&kinetics[n]);
cxxentity.dump_raw(dump_stream,0);
}
}
}
}
// Turn off dump until next read
dump_info.SetAll(false);
return (OK);
}
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
delete_entities(void)
/* ---------------------------------------------------------------------- */
{
int i, n, return_value;
return_value = OK;
if (!delete_info.Get_solution().Get_defined() &&
!delete_info.Get_pp_assemblage().Get_defined() &&
!delete_info.Get_exchange().Get_defined() &&
!delete_info.Get_surface().Get_defined() &&
!delete_info.Get_s_s_assemblage().Get_defined() &&
!delete_info.Get_gas_phase().Get_defined() &&
!delete_info.Get_kinetics().Get_defined() &&
!delete_info.Get_mix().Get_defined() &&
!delete_info.Get_reaction().Get_defined() &&
!delete_info.Get_temperature().Get_defined() )
{
return(OK);
}
// solutions
if (delete_info.Get_solution().Get_defined())
{
if (delete_info.Get_solution().Get_numbers().size() == 0)
{
for (i = 0; i < count_solution; i++)
{
solution_delete_n(i);
}
}
else
{
std::set < int >::iterator it;
for (it = delete_info.Get_solution().Get_numbers().begin(); it != delete_info.Get_solution().Get_numbers().end(); it++)
{
if (solution_bsearch(*it, &n, FALSE) != NULL)
{
solution_delete_n(n);
}
}
}
}
// pp_assemblages
if (delete_info.Get_pp_assemblage().Get_defined())
{
if (delete_info.Get_pp_assemblage().Get_numbers().size() == 0)
{
for (i = 0; i < count_pp_assemblage; i++)
{
pp_assemblage_delete(pp_assemblage[i].n_user);
}
}
else
{
std::set < int >::iterator it;
for (it = delete_info.Get_pp_assemblage().Get_numbers().begin(); it != delete_info.Get_pp_assemblage().Get_numbers().end(); it++)
{
if (pp_assemblage_bsearch(*it, &n) != NULL)
{
pp_assemblage_delete(*it);
}
}
}
}
// exchangers
if (delete_info.Get_exchange().Get_defined())
{
if (delete_info.Get_exchange().Get_numbers().size() == 0)
{
for (i = 0; i < count_exchange; i++)
{
exchange_delete(exchange[i].n_user);
}
}
else
{
std::set < int >::iterator it;
for (it = delete_info.Get_exchange().Get_numbers().begin(); it != delete_info.Get_exchange().Get_numbers().end(); it++)
{
if (exchange_bsearch(*it, &n) != NULL)
{
exchange_delete(*it);
}
}
}
}
// surfaces
if (delete_info.Get_surface().Get_defined())
{
if (delete_info.Get_surface().Get_numbers().size() == 0)
{
for (i = 0; i < count_surface; i++)
{
surface_delete(surface[i].n_user);
}
}
else
{
std::set < int >::iterator it;
for (it = delete_info.Get_surface().Get_numbers().begin(); it != delete_info.Get_surface().Get_numbers().end(); it++)
{
if (surface_bsearch(*it, &n) != NULL)
{
surface_delete(*it);
}
}
}
}
// s_s_assemblages
if (delete_info.Get_s_s_assemblage().Get_defined())
{
if (delete_info.Get_s_s_assemblage().Get_numbers().size() == 0)
{
for (i = 0; i < count_s_s_assemblage; i++)
{
s_s_assemblage_delete(s_s_assemblage[i].n_user);
}
}
else
{
std::set < int >::iterator it;
for (it = delete_info.Get_s_s_assemblage().Get_numbers().begin(); it != delete_info.Get_s_s_assemblage().Get_numbers().end(); it++)
{
if (s_s_assemblage_bsearch(*it, &n) != NULL)
{
s_s_assemblage_delete(*it);
}
}
}
}
// gas_phases
if (delete_info.Get_gas_phase().Get_defined())
{
if (delete_info.Get_gas_phase().Get_numbers().size() == 0)
{
for (i = 0; i < count_gas_phase; i++)
{
gas_phase_delete(gas_phase[i].n_user);
}
}
else
{
std::set < int >::iterator it;
for (it = delete_info.Get_gas_phase().Get_numbers().begin(); it != delete_info.Get_gas_phase().Get_numbers().end(); it++)
{
if (gas_phase_bsearch(*it, &n) != NULL)
{
gas_phase_delete(*it);
}
}
}
}
// kineticss
if (delete_info.Get_kinetics().Get_defined())
{
if (delete_info.Get_kinetics().Get_numbers().size() == 0)
{
for (i = 0; i < count_kinetics; i++)
{
kinetics_delete(kinetics[i].n_user);
}
}
else
{
std::set < int >::iterator it;
for (it = delete_info.Get_kinetics().Get_numbers().begin(); it != delete_info.Get_kinetics().Get_numbers().end(); it++)
{
if (kinetics_bsearch(*it, &n) != NULL)
{
kinetics_delete(*it);
}
}
}
}
// mixes
if (delete_info.Get_mix().Get_defined())
{
if (delete_info.Get_mix().Get_numbers().size() == 0)
{
for (i = 0; i < count_mix; i++)
{
mix_delete(mix[i].n_user);
}
}
else
{
std::set < int >::iterator it;
for (it = delete_info.Get_mix().Get_numbers().begin(); it != delete_info.Get_mix().Get_numbers().end(); it++)
{
if (mix_bsearch(*it, &n) != NULL)
{
mix_delete(*it);
}
}
}
}
// reactions
if (delete_info.Get_reaction().Get_defined())
{
if (delete_info.Get_reaction().Get_numbers().size() == 0)
{
for (i = 0; i < count_irrev; i++)
{
irrev_delete(irrev[i].n_user);
}
}
else
{
std::set < int >::iterator it;
for (it = delete_info.Get_reaction().Get_numbers().begin(); it != delete_info.Get_reaction().Get_numbers().end(); it++)
{
if (irrev_bsearch(*it, &n) != NULL)
{
irrev_delete(*it);
}
}
}
}
// temperatures
if (delete_info.Get_temperature().Get_defined())
{
if (delete_info.Get_temperature().Get_numbers().size() == 0)
{
for (i = 0; i < count_temperature; i++)
{
temperature_delete(temperature[i].n_user);
}
}
else
{
std::set < int >::iterator it;
for (it = delete_info.Get_temperature().Get_numbers().begin(); it != delete_info.Get_temperature().Get_numbers().end(); it++)
{
if (temperature_bsearch(*it, &n) != NULL)
{
temperature_delete(*it);
}
}
}
}
// Turn off delete until next read
delete_info.SetAll(false);
return (OK);
}
#ifdef SKIP
/* ---------------------------------------------------------------------- */
int
run_as_cells(void)
/* ---------------------------------------------------------------------- */
{
int i, n;
LDBLE kin_time;
/*
* Calculate advection
*/
state = ADVECTION;
/* mass_water_switch = TRUE; */
/*
* Check existence of all solutions
*/
if (run_info.Get_cells().Get_numbers().size() == 0 ||
!(run_info.Get_cells().Get_defined())) return(OK);
dup_print("Beginning of run as cells.", TRUE);
std::set < int >::iterator it = run_info.Get_cells().Get_numbers().begin();
last_model.force_prep = TRUE;
initial_total_time = run_info.Get_start_time();
rate_sim_time_start = 0;
kin_time = run_info.Get_time_step();
double advection_kin_time_save = advection_kin_time;
advection_kin_time = kin_time;
for ( ; it != run_info.Get_cells().Get_numbers().end(); it++)
{
i = *it;
if (i < 0) continue;
//if (solution_bsearch(i, &n, TRUE) == NULL)
//{
// sprintf(error_string,
// "Solution %d is needed for RUN, but is not defined.", i);
// warning_msg(error_string);
// continue;
//}
/*
* Equilibrate and (or) mix
*/
set_initial_moles(i);
cell_no = i;
set_advection(i, TRUE, TRUE, i);
reactions();
//run_reactions(i, kin_time, TRUE, 1.0);
////rate_sim_time = rate_sim_time_start + kin_time;
//punch_all();
//print_all();
//save.n_solution_user = i;
//save.n_solution_user_end = i;
//struct save save_dbg = save;
saver();
}
double advection_kin_time = advection_kin_time_save;
initial_total_time += rate_sim_time_start;
/* free_model_allocs(); */
mass_water_switch = FALSE;
run_info.Get_cells().Set_defined(false);
return (OK);
}
#endif
/* ---------------------------------------------------------------------- */
int CLASS_QUALIFIER
run_as_cells(void)
/* ---------------------------------------------------------------------- */
{
struct save save_data;
LDBLE kin_time;
state = REACTION;
if (run_info.Get_cells().Get_numbers().size() == 0 ||
!(run_info.Get_cells().Get_defined())) return(OK);
dup_print("Beginning of run as cells.", TRUE);
std::set < int >::iterator it = run_info.Get_cells().Get_numbers().begin();
last_model.force_prep = TRUE;
initial_total_time = run_info.Get_start_time();
rate_sim_time_start = 0;
kin_time = run_info.Get_time_step();
for ( ; it != run_info.Get_cells().Get_numbers().end(); it++)
{
int i = *it;
if (i < 0) continue;
set_advection(i, TRUE, TRUE, i);
save_data = save;
/* last_model.force_prep = TRUE; */
//if (set_use() == FALSE)
// return (OK);
/*
* save data for saving solutions
*/
//memcpy(&save_data, &save, sizeof(struct save));
/*
*Copy everything to -2
*/
copy_use(-2);
rate_sim_time_start = 0;
rate_sim_time = 0;
set_initial_moles(-2);
/*
* Run reaction step
*/
run_reactions(-2, kin_time, TRUE, 1.0);
rate_sim_time = kin_time;
punch_all();
print_all();
/* saves back into -2 */
save = save_data;
saver();
}
/*
* save end of reaction
*/
//memcpy(&save, &save_data, sizeof(struct save));
//if (use.kinetics_in == TRUE)
//{
// kinetics_duplicate(-2, use.n_kinetics_user);
//}
//saver();
run_info.Get_cells().Set_defined(false);
/* free_model_allocs(); */
/* last_model.force_prep = TRUE; */
return (OK);
}
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