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https://git.gfz-potsdam.de/naaice/iphreeqc.git
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Added new class runner.
Finished new keyword RUN_CELLS. git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3730 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
5f9cf78f01
commit
259c0839f0
199
ReadClass.cxx
199
ReadClass.cxx
@ -13,6 +13,7 @@
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#include "cxxMix.h"
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#include "Temperature.h"
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#include "dumper.h"
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#include "runner.h"
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#define EXTERNAL extern
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#include "global.h"
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#include "phqalloc.h"
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@ -26,8 +27,12 @@ static int streamify_to_next_keyword(std::istringstream & lines);
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extern int reading_database(void);
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extern int check_line(const char *string, int allow_empty, int allow_eof,
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int allow_keyword, int print);
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extern int set_use(void);
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extern int copy_use(int i);
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dumper dump_info;
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StorageBinList delete_info;
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runner run_info;
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/* ---------------------------------------------------------------------- */
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int
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read_solution_raw(void)
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@ -1080,6 +1085,58 @@ read_delete(void)
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delete_info = deleter;
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// Need to output the next keyword
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output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
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return (return_value);
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}
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/* ---------------------------------------------------------------------- */
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int
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read_run_cells(void)
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/* ---------------------------------------------------------------------- */
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{
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/*
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* Reads DELETE data block
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*
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* Arguments:
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* none
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*
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* Returns:
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* KEYWORD if keyword encountered, input_error may be incremented if
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* a keyword is encountered in an unexpected position
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* EOF if eof encountered while reading mass balance concentrations
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* ERROR if error occurred reading data
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*
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*/
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int return_value;
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/*
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* Make parser
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*/
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std::istringstream iss_in;
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return_value = streamify_to_next_keyword(iss_in);
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std::ostringstream oss_out;
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std::ostringstream oss_err;
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CParser parser(iss_in, oss_out, oss_err);
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assert(!reading_database());
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//For testing, need to read line to get started
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parser.set_echo_file(CParser::EO_NONE);
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std::vector < std::string > vopts;
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std::istream::pos_type next_char;
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parser.get_option(vopts, next_char);
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if (pr.echo_input == FALSE)
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{
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parser.set_echo_file(CParser::EO_NONE);
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}
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else
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{
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parser.set_echo_file(CParser::EO_NOKEYWORDS);
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}
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runner r(parser);
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run_info = r;
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// Need to output the next keyword
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output_msg(OUTPUT_CHECKLINE, "\t%s\n", line);
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return (return_value);
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@ -2206,3 +2263,145 @@ delete_entities(void)
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delete_info.SetAll(false);
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return (OK);
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}
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#ifdef SKIP
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/* ---------------------------------------------------------------------- */
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int
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run_as_cells(void)
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/* ---------------------------------------------------------------------- */
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{
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int i, n;
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LDBLE kin_time;
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/*
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* Calculate advection
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*/
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state = ADVECTION;
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/* mass_water_switch = TRUE; */
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/*
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* Check existence of all solutions
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*/
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if (run_info.Get_cells().Get_numbers().size() == 0 ||
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!(run_info.Get_cells().Get_defined())) return(OK);
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dup_print("Beginning of run as cells.", TRUE);
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std::set < int >::iterator it = run_info.Get_cells().Get_numbers().begin();
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last_model.force_prep = TRUE;
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initial_total_time = run_info.Get_start_time();
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rate_sim_time_start = 0;
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kin_time = run_info.Get_time_step();
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double advection_kin_time_save = advection_kin_time;
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advection_kin_time = kin_time;
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for ( ; it != run_info.Get_cells().Get_numbers().end(); it++)
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{
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i = *it;
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if (i < 0) continue;
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//if (solution_bsearch(i, &n, TRUE) == NULL)
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//{
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// sprintf(error_string,
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// "Solution %d is needed for RUN, but is not defined.", i);
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// warning_msg(error_string);
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// continue;
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//}
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/*
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* Equilibrate and (or) mix
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*/
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set_initial_moles(i);
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cell_no = i;
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set_advection(i, TRUE, TRUE, i);
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reactions();
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//run_reactions(i, kin_time, TRUE, 1.0);
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////rate_sim_time = rate_sim_time_start + kin_time;
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//punch_all();
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//print_all();
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//save.n_solution_user = i;
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//save.n_solution_user_end = i;
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//struct save save_dbg = save;
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saver();
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}
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double advection_kin_time = advection_kin_time_save;
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initial_total_time += rate_sim_time_start;
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/* free_model_allocs(); */
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mass_water_switch = FALSE;
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run_info.Get_cells().Set_defined(false);
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return (OK);
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}
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#endif
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/* ---------------------------------------------------------------------- */
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int
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run_as_cells(void)
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/* ---------------------------------------------------------------------- */
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{
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int count_steps, use_mix, m;
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char token[2 * MAX_LENGTH];
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struct save save_data;
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LDBLE kin_time;
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struct kinetics *kinetics_ptr;
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state = REACTION;
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if (run_info.Get_cells().Get_numbers().size() == 0 ||
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!(run_info.Get_cells().Get_defined())) return(OK);
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dup_print("Beginning of run as cells.", TRUE);
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std::set < int >::iterator it = run_info.Get_cells().Get_numbers().begin();
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last_model.force_prep = TRUE;
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initial_total_time = run_info.Get_start_time();
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rate_sim_time_start = 0;
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kin_time = run_info.Get_time_step();
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for ( ; it != run_info.Get_cells().Get_numbers().end(); it++)
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{
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int i = *it;
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if (i < 0) continue;
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set_advection(i, TRUE, TRUE, i);
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save_data = save;
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/* last_model.force_prep = TRUE; */
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if (set_use() == FALSE)
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return (OK);
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/*
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* save data for saving solutions
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*/
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//memcpy(&save_data, &save, sizeof(struct save));
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/*
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*Copy everything to -2
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*/
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copy_use(-2);
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rate_sim_time_start = 0;
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rate_sim_time = 0;
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set_initial_moles(-2);
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/*
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* Run reaction step
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*/
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run_reactions(-2, kin_time, TRUE, 1.0);
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rate_sim_time = kin_time;
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punch_all();
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print_all();
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/* saves back into -2 */
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save = save_data;
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saver();
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}
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/*
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* save end of reaction
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*/
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//memcpy(&save, &save_data, sizeof(struct save));
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//if (use.kinetics_in == TRUE)
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//{
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// kinetics_duplicate(-2, use.n_kinetics_user);
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//}
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//saver();
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run_info.Get_cells().Set_defined(false);
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/* free_model_allocs(); */
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/* last_model.force_prep = TRUE; */
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return (OK);
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}
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@ -8,6 +8,38 @@ StorageBinListItem::StorageBinListItem(void)
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StorageBinListItem::~StorageBinListItem(void)
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{
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}
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StorageBinListItem::StorageBinListItem(CParser & parser)
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{
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this->Clear();
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// Read list of numbers or number ranges
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for (;;)
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{
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//read lines
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CParser::LINE_TYPE l = parser.check_line("read StorageBinListLtem", false, true, true, true);
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std::istream::pos_type next_char = 0;
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if (l == CParser::LT_EOF) break;
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for (;;)
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{
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std::string token;
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CParser::TOKEN_TYPE j = parser.copy_token(token, next_char);
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if (j == CParser::TT_DIGIT)
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{
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this->Augment(token);
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}
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else if (j == CParser::TT_EMPTY)
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{
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break;
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}
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else
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{
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// ignore characters like RUN
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//parser.error_msg("Expected single number or range of numbers.",
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// CParser::OT_CONTINUE);
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//break;
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}
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}
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}
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}
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void StorageBinListItem::Augment(std::string token)
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{
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this->defined = true;
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@ -9,6 +9,7 @@ class StorageBinListItem
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{
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public:
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StorageBinListItem(void);
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StorageBinListItem(CParser & parser);
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~StorageBinListItem(void);
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void Set_defined(bool tf) { this->defined = tf; };
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bool Get_defined(void) { return(this->defined); };
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