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Remove strcmp from calc_vm, calc_delta_v, calc_lk_phase

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7718 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2013-05-14 20:40:44 +00:00
parent c176fe3b2e
commit ed46140f3c
2 changed files with 22 additions and 38 deletions
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57
prep.cpp
View File

@ -5315,26 +5315,6 @@ calc_delta_v(reaction *r_ptr, bool phase)
/* ---------------------------------------------------------------------- */
{
/* calculate delta_v from molar volumes */
#ifdef TONY
int p = -1;
LDBLE d_v = 0.0;
if (phase)
p = 1; /* for phases: reactants have coef's < 0, products have coef's > 0, v.v. for species */
for (size_t i = 0; r_ptr->token[i].name; i++)
{
if (!r_ptr->token[i].s)
continue;
if (!strcmp(r_ptr->token[i].s->name, "H+"))
continue;
if (!strcmp(r_ptr->token[i].s->name, "e-"))
continue;
else if (r_ptr->token[i].s->logk[vm_tc])
d_v += p * r_ptr->token[i].coef * r_ptr->token[i].s->logk[vm_tc];
}
return d_v;
#else
//dlp
LDBLE d_v = 0.0;
@ -5345,12 +5325,12 @@ calc_delta_v(reaction *r_ptr, bool phase)
{
//if (!r_ptr->token[i].s)
// continue;
if (!strcmp(r_ptr->token[i].s->name, "H+"))
continue;
if (!strcmp(r_ptr->token[i].s->name, "e-"))
continue;
else if (r_ptr->token[i].s->logk[vm_tc])
d_v += r_ptr->token[i].coef * r_ptr->token[i].s->logk[vm_tc];
//if (!strcmp(r_ptr->token[i].s->name, "H+"))
// continue;
//if (!strcmp(r_ptr->token[i].s->name, "e-"))
// continue;
//else if (r_ptr->token[i].s->logk[vm_tc])
d_v += r_ptr->token[i].coef * r_ptr->token[i].s->logk[vm_tc];
}
}
else
@ -5359,16 +5339,15 @@ calc_delta_v(reaction *r_ptr, bool phase)
{
if (!r_ptr->token[i].s)
continue;
if (!strcmp(r_ptr->token[i].s->name, "H+"))
continue;
if (!strcmp(r_ptr->token[i].s->name, "e-"))
continue;
else if (r_ptr->token[i].s->logk[vm_tc])
d_v += - r_ptr->token[i].coef * r_ptr->token[i].s->logk[vm_tc];
//if (!strcmp(r_ptr->token[i].s->name, "H+"))
// continue;
//if (!strcmp(r_ptr->token[i].s->name, "e-"))
// continue;
//else if (r_ptr->token[i].s->logk[vm_tc])
d_v -= r_ptr->token[i].coef * r_ptr->token[i].s->logk[vm_tc];
}
}
return d_v;
#endif
}
/* ---------------------------------------------------------------------- */
LDBLE Phreeqc::
@ -5397,11 +5376,14 @@ calc_lk_phase(phase *p_ptr, LDBLE TK, LDBLE pa)
if (!r_ptr->token[i].s)
continue;
s_ptr = r_ptr->token[i].s;
if (!strcmp(s_ptr->name, "H+"))
//if (!strcmp(s_ptr->name, "H+"))
if (s_ptr == s_hplus)
continue;
if (!strcmp(s_ptr->name, "e-"))
//if (!strcmp(s_ptr->name, "e-"))
if (s_ptr == s_eminus)
continue;
if (!strcmp(s_ptr->name, "H2O"))
//if (!strcmp(s_ptr->name, "H2O"))
if (s_ptr == s_h2o)
{
d_v += r_ptr->token[i].coef * 18.016 / calc_rho_0(tc, pa);
continue;
@ -5483,7 +5465,8 @@ calc_vm(LDBLE tc, LDBLE pa)
LDBLE pb_s = 2600. + pa * 1.01325, TK_s = tc + 45.15, sqrt_mu = sqrt(mu_x);
for (int i = 0; i < count_s_x; i++)
{
if (!strcmp(s_x[i]->name, "H2O"))
//if (!strcmp(s_x[i]->name, "H2O"))
if (s_x[i] == s_h2o)
{
s_x[i]->logk[vm_tc] = 18.016 / rho_0;
continue;

3
print.cpp
View File

@ -1479,7 +1479,8 @@ print_species(void)
(double) (species_list[i].s->lm +
species_list[i].s->lg),
(double) species_list[i].s->lg));
if (species_list[i].s->logk[vm_tc] || !strcmp(species_list[i].s->name, "H+"))
//if (species_list[i].s->logk[vm_tc] || !strcmp(species_list[i].s->name, "H+"))
if (species_list[i].s->logk[vm_tc] || species_list[i].s == s_hplus)
output_msg(sformatf("%10.2f\n",
(double) species_list[i].s->logk[vm_tc]));
else