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Added time unit to advection, kinetics, transport, and run_cells

Browse Source 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6684 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2012-06-19 22:11:34 +00:00
parent fc2d4425fb
commit 232bb18fad
5 changed files with 158 additions and 52 deletions
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43
Utils.cxx
View File

@ -111,7 +111,50 @@ Utilities::squeeze_white(std::string & s_l)
}
s_l = str;
}
////////////////////////////////////////////////////////////////////////////
double
Utilities::convert_time(double t, std::string in, std::string out)
////////////////////////////////////////////////////////////////////////////
{
Utilities::str_tolower(in);
// convert t to seconds
if (in.substr(0,1) == "m")
{
t = t * 60.;
}
if (in.substr(0,1) == "h")
{
t = t * 3600.;
}
if (in.substr(0,1) == "d")
{
t = t * 3600. * 24.;
}
if (in.substr(0,1) == "y")
{
t = t * 3600. * 24. * 365.25;
}
// convert to ouput units
if (out.substr(0,1) == "m")
{
t = t / 60.;
}
if (out.substr(0,1) == "h")
{
t = t / 3600.;
}
if (out.substr(0,1) == "d")
{
t = t / ( 3600. * 24.);
}
if (out.substr(0,1) == "y")
{
t = t / (3600. * 24. * 365.25);
}
return t;
}
//+NAN LDBLE: 7ff8000000000000
//-NAN LDBLE: fff8000000000000
/*

2
Utils.h
View File

@ -22,6 +22,6 @@ namespace Utilities
bool replace(const char *str1, const char *str2, std::string & str);
void squeeze_white(std::string & s_l);
double convert_time(double t, std::string in, std::string out);
}
#endif // UTILITIES_H_INCLUDED

126
phreeqc/read.cpp
View File

@ -1999,6 +1999,7 @@ read_kinetics(void)
temp_kinetics.Set_description(description);
description = (char *) free_check_null(description);
cxxKineticsComp *kinetics_comp_ptr = NULL;
std::string stdunits;
/*
* Set use data to first read
*/
@ -2210,68 +2211,80 @@ read_kinetics(void)
*/
{
int j;
while ((j = copy_token(token, &next_char)) == DIGIT)
while ((j = copy_token(token, &next_char)) != EMPTY)
{
/* Read next step increment(s) */
/* multiple, equal timesteps 15 aug. 2005 */
if (Utilities::replace("*", " ", token))
if (j == DIGIT)
{
int k;
if (sscanf(token.c_str(), "%d" SCANFORMAT, &k, &step) == 2)
/* Read next step increment(s) */
/* multiple, equal timesteps 15 aug. 2005 */
if (Utilities::replace("*", " ", token))
{
for (int i = 0; i < k; i++)
int k;
if (sscanf(token.c_str(), "%d" SCANFORMAT, &k, &step) == 2)
{
temp_kinetics.Get_steps().push_back(step);
for (int i = 0; i < k; i++)
{
temp_kinetics.Get_steps().push_back(step);
}
}
else
{
input_error++;
error_msg
("Format error in multiple, equal KINETICS timesteps.\nCorrect is (for example): 20 4*10 2*5 3\n",
CONTINUE);
}
}
else
{
input_error++;
error_msg
("Format error in multiple, equal KINETICS timesteps.\nCorrect is (for example): 20 4*10 2*5 3\n",
CONTINUE);
step = strtod(token.c_str(), &ptr);
temp_kinetics.Get_steps().push_back(step);
}
}
else
{
step = strtod(token.c_str(), &ptr);
temp_kinetics.Get_steps().push_back(step);
Utilities::str_tolower(token);
if (token.substr(0,1) == "i" )
{
/*
* Read number of increments
*/
if (temp_kinetics.Get_steps().size() != 1)
{
error_msg
("To define equal time increments, only one total time should be defined.",
CONTINUE);
input_error++;
break;
}
temp_kinetics.Set_equalIncrements(true);
do
{
int i = 1;
j = sscanf(token.c_str(), "%d", &i);
if (j == 1)
{
temp_kinetics.Set_count(abs(i));
break;
}
else if (j == 1 && i < 0)
{
error_msg
("Expecting positive number for number of equal "
"time increments for kinetics.", CONTINUE);
error_msg(line_save, CONTINUE);
input_error++;
break;
}
}
while (copy_token(token, &next_char) != EMPTY);
}
else
{
stdunits = token;
}
}
}
if (j == EMPTY)
break;
/*
* Read number of increments
*/
if (temp_kinetics.Get_steps().size() != 1)
{
error_msg
("To define equal time increments, only one total time should be defined.",
CONTINUE);
input_error++;
break;
}
temp_kinetics.Set_equalIncrements(true);
do
{
int i = 1;
j = sscanf(token.c_str(), "%d", &i);
if (j == 1)
{
temp_kinetics.Set_count(abs(i));
break;
}
else if (j == 1 && i < 0)
{
error_msg
("Expecting positive number for number of equal "
"time increments for kinetics.", CONTINUE);
error_msg(line_save, CONTINUE);
input_error++;
break;
}
}
while (copy_token(token, &next_char) != EMPTY);
}
break;
case 6: /* step_divide */
@ -2397,6 +2410,14 @@ read_kinetics(void)
{
temp_kinetics.Get_steps().push_back(1.0);
}
else if (stdunits.size() > 0)
{
std::vector<double>::iterator it;
for (it = temp_kinetics.Get_steps().begin(); it != temp_kinetics.Get_steps().end(); it++)
{
*it = Utilities::convert_time(*it, stdunits, "s");
}
}
/*
* set defaults for moles
*/
@ -7384,6 +7405,15 @@ read_advection(void)
case 7: /* time_step */
case 8: /* timest */
sscanf(next_char, SCANFORMAT, &advection_kin_time);
{
std::string token;
int j = copy_token(token, &next_char);
j = copy_token(token, &next_char);
if (j == UPPER || j == LOWER)
{
advection_kin_time = Utilities::convert_time(advection_kin_time, token, "s");
}
}
advection_kin_time_defined = TRUE;
opt_save = OPTION_DEFAULT;
break;

20
phreeqc/readtr.cpp
View File

@ -7,6 +7,7 @@
typedef unsigned char boolean;
#include "Phreeqc.h"
#include "phqalloc.h"
#include "Utils.h"
#define OPTION_EOF -1
@ -273,12 +274,25 @@ read_transport(void)
}
opt_save = OPTION_DEFAULT;
break;
case 5: /* timest */
case 5: /* timest */
case 14: /* time_step */
if (copy_token(token, &next_char, &l) == DIGIT)
sscanf(token, SCANFORMAT, &timest);
if (copy_token(token, &next_char, &l) == DIGIT)
sscanf(token, SCANFORMAT, &mcd_substeps);
{
std::string stdtoken;
j = copy_token(stdtoken, &next_char);
if (j == UPPER || j == LOWER)
{
timest = Utilities::convert_time(timest, stdtoken, "s");
j = copy_token(stdtoken, &next_char);
}
if (j == DIGIT)
{
sscanf(stdtoken.c_str(), SCANFORMAT, &mcd_substeps);
}
}
//if (copy_token(token, &next_char, &l) == DIGIT)
// sscanf(token, SCANFORMAT, &mcd_substeps);
if (mcd_substeps < 1)
{
mcd_substeps = 1.0;

19
runner.cpp
View File

@ -1,6 +1,7 @@
#include "runner.h"
#include "Parser.h"
#include "NA.h"
#include "Utils.h"
runner::runner(PHRQ_io *io)
:
PHRQ_base(io)
@ -99,6 +100,15 @@ bool runner::Read(CParser & parser)
parser.error_msg("Expected start_time for RUN_CELLS.",
PHRQ_io::OT_CONTINUE);
parser.error_msg(parser.line().c_str(), PHRQ_io::OT_CONTINUE);
break;
}
{
std::string token;
if (parser.get_iss() >> token)
{
token = trim(token);
this->start_time = Utilities::convert_time(this->start_time, token, "s");
}
}
break;
case 3: //time_step
@ -110,6 +120,15 @@ bool runner::Read(CParser & parser)
parser.error_msg("Expected time_step for RUN_CELLS.",
PHRQ_io::OT_CONTINUE);
parser.error_msg(parser.line().c_str(), PHRQ_io::OT_CONTINUE);
break;
}
{
std::string token;
if (parser.get_iss() >> token)
{
token = trim(token);
this->time_step = Utilities::convert_time(this->time_step, token, "s");
}
}
break;
default: