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Squashed 'phreeqcpp/' changes from 0b60d1a..f8cd55c

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f8cd55c Merge branch 'master' of code.chs.usgs.gov:coupled/phreeqc3
56731ea updated RELEASE.TXT, revised PR_P and PR_PHI functions and the test case PR_error_incremental
35190be added Thermoddem database. Fixed error in PR_P and PR_PHI. Added test case to check PR_P and PR_PHI are fixed.

git-subtree-dir: phreeqcpp
git-subtree-split: f8cd55c27c133f195a16f21cb6e07a46d280b2f3
This commit is contained in:
Darth Vader 2023-03-07 01:00:20 +00:00
parent c85a9cde6d
commit bc9ab58d16
1 changed files with 59 additions and 28 deletions
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87
basicsubs.cpp
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@ -1676,26 +1676,41 @@ molality(const char *species_name)
}
/* ---------------------------------------------------------------------- */
LDBLE Phreeqc::
pr_pressure(const char *phase_name)
pr_pressure(const char* phase_name)
/* ---------------------------------------------------------------------- */
{
class phase *phase_ptr;
int l;
phase_ptr = phase_bsearch(phase_name, &l, FALSE);
if (phase_ptr == NULL)
cxxGasPhase* gas_phase_ptr = use.Get_gas_phase_ptr();
if (gas_phase_ptr != NULL)
{
error_string = sformatf( "Gas %s, not found.", phase_name);
warning_msg(error_string);
return (1e-99);
int l;
class phase* phase_ptr = phase_bsearch(phase_name, &l, FALSE);
if (phase_ptr == NULL)
{
error_string = sformatf("Gas %s, not found.", phase_name);
warning_msg(error_string);
return (1e-99);
}
for (size_t i = 0; i < gas_phase_ptr->Get_gas_comps().size(); i++)
{
const cxxGasComp* gas_comp_ptr = &(gas_phase_ptr->Get_gas_comps()[i]);
int j;
class phase* phase_ptr_gas = phase_bsearch(gas_comp_ptr->Get_phase_name().c_str(), &j, FALSE);
if (phase_ptr == phase_ptr_gas)
{
if (gas_phase_ptr->Get_pr_in())
{
return phase_ptr->pr_p;
}
else
{
return gas_comp_ptr->Get_p();
}
}
}
}
else if (phase_ptr->in != FALSE && phase_ptr->pr_in)
{
return phase_ptr->pr_p;
}
return (0.0);
return(0.0);
}
/* ---------------------------------------------------------------------- */
LDBLE Phreeqc::
pressure(void)
@ -1703,26 +1718,42 @@ pressure(void)
{
return (patm_x);
}
/* ---------------------------------------------------------------------- */
LDBLE Phreeqc::
pr_phi(const char *phase_name)
pr_phi(const char* phase_name)
/* ---------------------------------------------------------------------- */
{
class phase *phase_ptr;
int l;
phase_ptr = phase_bsearch(phase_name, &l, FALSE);
if (phase_ptr == NULL)
cxxGasPhase* gas_phase_ptr = use.Get_gas_phase_ptr();
if (gas_phase_ptr != NULL)
{
error_string = sformatf( "Gas %s, not found.", phase_name);
warning_msg(error_string);
return (1e-99);
int l;
class phase* phase_ptr = phase_bsearch(phase_name, &l, FALSE);
if (phase_ptr == NULL)
{
error_string = sformatf("Gas %s, not found.", phase_name);
warning_msg(error_string);
return (1e-99);
}
for (size_t i = 0; i < gas_phase_ptr->Get_gas_comps().size(); i++)
{
const cxxGasComp* gas_comp_ptr = &(gas_phase_ptr->Get_gas_comps()[i]);
int j;
class phase* phase_ptr_gas = phase_bsearch(gas_comp_ptr->Get_phase_name().c_str(), &j, FALSE);
if (phase_ptr == phase_ptr_gas)
{
if (gas_phase_ptr->Get_pr_in())
{
return phase_ptr->pr_phi;
}
else
{
return gas_comp_ptr->Get_phi();
}
}
}
}
else if (phase_ptr->in != FALSE && phase_ptr->pr_in)
{
return phase_ptr->pr_phi;
}
return (1.0);
return(1.0);
}
/* ---------------------------------------------------------------------- */
LDBLE Phreeqc::