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Fixed error for malloc introduced in recent Basic function.

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Fixed error with Pitzer paramenters that were not recalculated with
a change in pressure. Parameters depend on density of water I think.
Also changed SIT, although I am not sure the parameters have a pressure
dependence.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7837 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2013-07-17 21:15:01 +00:00
parent a03d2ae87e
commit 7848242e28
5 changed files with 15 additions and 7 deletions
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6
PBasic.cpp
View File

@ -3440,15 +3440,15 @@ factor(struct LOC_exec * LINK)
std::string elt_name;
// return equivalent fraction
n.UU.val = PhreeqcPtr->equivalent_fraction(species_name.c_str(), &eq, elt_name);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->equivalent_fraction(species_name.c_str(), &eq, elt_name);
// set equivalents
*count_varrec->UU.U0.val = eq;
*count_varrec->UU.U0.val = (parse_all) ? 1 : eq;
// set element name
size_t l = elt_name.size();
l = l < 256 ? 256 : l + 1;
char * token = (char *) PhreeqcPtr->PHRQ_malloc( l, sizeof(char));
char * token = (char *) PhreeqcPtr->PHRQ_malloc( l * sizeof(char));
strcpy(token, elt_name.c_str());
*elt_varrec->UU.U1.sval = token;
}

3
Phreeqc.cpp
View File

@ -986,7 +986,8 @@ void Phreeqc::init(void)
count_theta_param = 0;
max_theta_param = 100;
use_etheta = TRUE;
OTEMP = 0.0;
OTEMP = -100.;
OPRESS = -100.;
A0 = 0;
spec = NULL;
cations = NULL;

2
Phreeqc.h
View File

@ -1799,7 +1799,7 @@ protected:
struct theta_param **theta_params;
int count_theta_param, max_theta_param;
int use_etheta;
LDBLE OTEMP;
LDBLE OTEMP, OPRESS;
LDBLE A0;
struct species **spec, **cations, **anions, **neutrals;
int count_cations, count_anions, count_neutrals;

5
pitzer.cpp
View File

@ -28,6 +28,7 @@ pitzer_init(void)
ICON = TRUE;
OTEMP = -100.;
OPRESS = -100.;
for (i = 0; i < 23; i++)
{
BK[i] = 0.0;
@ -58,6 +59,7 @@ pitzer_tidy(void)
* Ensure new parameters are calculated
*/
OTEMP = -100.;
OPRESS = -100.;
/*
* allocate pointers to species structures
*/
@ -740,9 +742,10 @@ C
int i;
LDBLE TR = 298.15;
if (fabs(TK - OTEMP) < 0.001e0)
if (fabs(TK - OTEMP) < 0.001e0 && fabs(patm_x - OPRESS) < 0.001)
return OK;
OTEMP = TK;
OPRESS = patm_x;
/*
C Set DW0
*/

6
sit.cpp
View File

@ -17,6 +17,7 @@ sit_init(void)
space((void **) ((void *) &sit_params), INIT, &max_sit_param,
sizeof(struct pitz_param *));
OTEMP = -100.;
OPRESS = -100.;
return OK;
}
@ -33,6 +34,7 @@ sit_tidy(void)
* Ensure new parameters are calculated
*/
OTEMP = -100.;
OPRESS = -100.;
/*
* allocate pointers to species structures
*/
@ -1333,8 +1335,10 @@ C
int i;
LDBLE TR = 298.15;
if (fabs(TK - OTEMP) < 0.001e0) return OK;
if (fabs(TK - OTEMP) < 0.001e0 && fabs(patm_x - OPRESS) < 0.001)
return OK;
OTEMP = TK;
OPRESS = patm_x;
/*
C Set DW0
*/