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minor optimizations of tidy_model

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7731 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2013-05-20 23:15:15 +00:00
parent 0b7b5f7c07
commit 26614f7098
1 changed files with 74 additions and 84 deletions
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158
tidy.cpp
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@ -169,7 +169,6 @@ tidy_model(void)
phases[i]->pr_p = 0.0;
phases[i]->pr_phi = 1.0;
}
/* named_log_k */
if (new_named_logk)
{
@ -241,13 +240,7 @@ tidy_model(void)
if (new_exchange)
{
tidy_exchange();
}
if (new_exchange)
{
tidy_min_exchange();
}
if (new_exchange)
{
tidy_kin_exchange();
}
/*
@ -256,9 +249,6 @@ tidy_model(void)
if (new_surface)
{
tidy_min_surface();
}
if (new_surface)
{
tidy_kin_surface();
}
/*
@ -271,9 +261,6 @@ tidy_model(void)
if (new_model)
{
tidy_isotope_ratios();
}
if (new_model)
{
tidy_isotope_alphas();
}
/*
@ -328,84 +315,87 @@ tidy_model(void)
/*
* make sure essential species are defined
*/
if (s_h2o == NULL)
if (new_model)
{
input_error++;
error_msg("H2O not defined.", STOP);
}
if (s_h2o->primary == NULL)
{
input_error++;
error_msg("H2O, primary master species for O, not defined.",
CONTINUE);
}
if (s_h2o->secondary == NULL)
{
input_error++;
error_msg("H2O, secondary master species for O(-2), not defined.",
CONTINUE);
}
if (s_hplus == NULL && s_h3oplus == NULL)
{
input_error++;
error_msg("Neither H+ nor H3O+ are defined in solution_species.",
STOP);
}
else if (s_hplus == NULL && s_h3oplus != NULL)
{
s_hplus = s_h3oplus;
s_h3oplus = NULL;
}
else if (s_hplus != NULL && s_h3oplus == NULL)
{
}
else if (s_hplus != NULL && s_h3oplus != NULL)
{
input_error++;
error_msg("Cannot define both H+ and H3O+ in solution_species.",
STOP);
}
if (s_hplus->primary == NULL)
{
input_error++;
error_msg("H3O+, primary master species for H, not defined.",
CONTINUE);
}
if (s_hplus->secondary == NULL)
{
input_error++;
error_msg("H3O+, secondary master species for H(1), not defined.",
CONTINUE);
}
if (s_eminus == NULL)
{
input_error++;
error_msg("e- not defined in solution_species.", CONTINUE);
}
if (s_eminus->primary == NULL)
{
input_error++;
error_msg("e-, primary master species for E-, not defined.",
CONTINUE);
}
if (pitzer_model == FALSE || pitzer_pe == TRUE)
{
if (s_h2 == NULL)
if (s_h2o == NULL)
{
input_error++;
error_msg("H2(aq) not defined in solution_species.", CONTINUE);
error_msg("H2O not defined.", STOP);
}
if (s_o2 == NULL)
if (s_h2o->primary == NULL)
{
input_error++;
error_msg("O2(aq) not defined in solution_species.", CONTINUE);
error_msg("H2O, primary master species for O, not defined.",
CONTINUE);
}
if (s_h2o->secondary == NULL)
{
input_error++;
error_msg("H2O, secondary master species for O(-2), not defined.",
CONTINUE);
}
if (s_hplus == NULL && s_h3oplus == NULL)
{
input_error++;
error_msg("Neither H+ nor H3O+ are defined in solution_species.",
STOP);
}
else if (s_hplus == NULL && s_h3oplus != NULL)
{
s_hplus = s_h3oplus;
s_h3oplus = NULL;
}
else if (s_hplus != NULL && s_h3oplus == NULL)
{
}
else if (s_hplus != NULL && s_h3oplus != NULL)
{
input_error++;
error_msg("Cannot define both H+ and H3O+ in solution_species.",
STOP);
}
if (s_hplus->primary == NULL)
{
input_error++;
error_msg("H3O+, primary master species for H, not defined.",
CONTINUE);
}
if (s_hplus->secondary == NULL)
{
input_error++;
error_msg("H3O+, secondary master species for H(1), not defined.",
CONTINUE);
}
if (s_eminus == NULL)
{
input_error++;
error_msg("e- not defined in solution_species.", CONTINUE);
}
if (s_eminus->primary == NULL)
{
input_error++;
error_msg("e-, primary master species for E-, not defined.",
CONTINUE);
}
if (pitzer_model == FALSE || pitzer_pe == TRUE)
{
if (s_h2 == NULL)
{
input_error++;
error_msg("H2(aq) not defined in solution_species.", CONTINUE);
}
if (s_o2 == NULL)
{
input_error++;
error_msg("O2(aq) not defined in solution_species.", CONTINUE);
}
}
element_h_one = element_store("H(1)");
if (element_h_one == NULL)
{
input_error++;
error_msg("H(1) not defined in solution_master_species.", CONTINUE);
}
}
element_h_one = element_store("H(1)");
if (element_h_one == NULL)
{
input_error++;
error_msg("H(1) not defined in solution_master_species.", CONTINUE);
}
/*
* Error check, program termination