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Merge commit '757927da596446462e8daceb57b20bba2c591f33'

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This commit is contained in:
Scott R Charlton 2020-01-02 19:25:18 -07:00
commit 918da84d83
1 changed files with 12 additions and 11 deletions
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23
phreeqcpp/transport.cpp
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@ -49,6 +49,7 @@ struct MOLES_ADDED /* total moles added to balance negative conc's */
char *name;
LDBLE moles;
} *moles_added;
int count_moles_added;
/* ---------------------------------------------------------------------- */
int Phreeqc::
@ -134,12 +135,12 @@ transport(void)
ct[i].m_s = NULL;
ct[i].v_m_size = ct[i].J_ij_size = ct[i].m_s_size = 0;
}
moles_added = (struct MOLES_ADDED *) PHRQ_malloc((size_t) (count_elements)* sizeof(struct MOLES_ADDED));
count_moles_added = count_elements;
moles_added = (struct MOLES_ADDED *) PHRQ_malloc((size_t) (count_moles_added)* sizeof(struct MOLES_ADDED));
if (moles_added == NULL)
malloc_error();
for (i = 0; i < count_elements; i++)
for (i = 0; i < count_moles_added; i++)
{
moles_added[i].name = NULL;
moles_added[i].moles = 0;
@ -922,7 +923,7 @@ transport(void)
{
for (it2 = els.begin(); it2 != els.end(); it2++)
{
for (int i1 = 0; i1 < count_elements; i1++)
for (int i1 = 0; i1 < count_moles_added; i1++)
{
if (moles_added[i1].name && !strcmp(moles_added[i1].name, it2->first.c_str()))
{
@ -947,7 +948,7 @@ transport(void)
"\nFor balancing negative concentrations in MCD, added in total to the system:");
if (phrq_io)
phrq_io->warning_msg(token);
for (i = 0; i < count_elements; i++)
for (i = 0; i < count_moles_added; i++)
{
if (!moles_added[i].moles)
break;
@ -1007,7 +1008,7 @@ transport_cleanup(void)
ct[i].m_s = (struct M_S *) free_check_null(ct[i].m_s);
}
ct = (struct CT *) free_check_null(ct);
for (int i = 0; i < count_elements; i++)
for (int i = 0; i < count_moles_added; i++)
{
moles_added[i].name = (char *)free_check_null(moles_added[i].name);
}
@ -3382,8 +3383,8 @@ multi_D(LDBLE DDt, int mobile_cell, int stagnant)
{
tot1_h = tot1_o = tot2_h = tot2_o = 0.0;
m_s = (struct M_S *) free_check_null(m_s);
count_m_s = (ct[icell].J_ij_count_spec < count_elements ?
ct[icell].J_ij_count_spec : count_elements);
count_m_s = (ct[icell].J_ij_count_spec < count_moles_added ?
ct[icell].J_ij_count_spec : count_moles_added);
m_s = (struct M_S *) PHRQ_malloc((size_t) count_m_s *
sizeof(struct M_S));
if (m_s == NULL)
@ -3541,7 +3542,7 @@ multi_D(LDBLE DDt, int mobile_cell, int stagnant)
"Negative concentration in MCD: added %.4e moles %s in cell %d",
(double)-temp, it->first.c_str(), i);
warning_msg(token);
for (i1 = 0; i1 < count_elements; i1++)
for (i1 = 0; i1 < count_moles_added; i1++)
{
if (moles_added[i1].name && !strcmp(moles_added[i1].name, it->first.c_str()))
{
@ -4538,11 +4539,11 @@ dV_dcell2:
/* express the transfer in elemental moles... */
tot1_h = tot1_o = tot2_h = tot2_o = 0.0;
m_s = (struct M_S *) free_check_null(m_s);
m_s = (struct M_S *) PHRQ_malloc((size_t) count_elements *
m_s = (struct M_S *) PHRQ_malloc((size_t) count_moles_added *
sizeof(struct M_S));
if (m_s == NULL)
malloc_error();
for (i1 = 0; i1 < count_elements; i1++)
for (i1 = 0; i1 < count_moles_added; i1++)
{
m_s[i1].charge = 0;
m_s[i1].name = NULL;