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fixed errors/warnings from ming and intel

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This commit is contained in:
David Parkhurst 2021-04-06 23:58:52 -06:00
parent 369733e9b5
commit 2e5f255c79
3 changed files with 89 additions and 88 deletions
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4
Phreeqc.cpp
View File

@ -31,7 +31,7 @@
// {"87Sr", .71, .01}, // {"87Sr", .71, .01},
// {"11B", 20, 5} // {"11B", 20, 5}
//}; //};
const class const_iso Phreeqc::iso_defaults[] = { const const_iso Phreeqc::iso_defaults[] = {
const_iso("13C", -10, 1), const_iso("13C", -10, 1),
const_iso("13C(4)", -10, 1), const_iso("13C(4)", -10, 1),
const_iso("13C(-4)", -50, 5), const_iso("13C(-4)", -50, 5),
@ -1546,7 +1546,7 @@ Phreeqc::InternalCopy(const Phreeqc* pSrc)
//delta, //delta,
//residual //residual
input_error = 0; input_error = 0;
Keywords::KEYWORDS next_keyword = Keywords::KEY_NONE; next_keyword = Keywords::KEY_NONE;
parse_error = 0; parse_error = 0;
paren_count = 0; paren_count = 0;
iterations = 0; iterations = 0;

168
global_structures.h
View File

@ -226,7 +226,7 @@ class rxn_token
{ {
public: public:
~rxn_token() {}; ~rxn_token() {};
rxn_token::rxn_token() rxn_token()
{ {
s = NULL; s = NULL;
coef = 0.0; coef = 0.0;
@ -240,7 +240,7 @@ class save
{ {
public: public:
~save() {}; ~save() {};
save::save() save()
{ {
solution = 0; solution = 0;
n_solution_user = 0; n_solution_user = 0;
@ -306,7 +306,7 @@ class copier
{ {
public: public:
~copier() {}; ~copier() {};
copier::copier() copier()
{} {}
std::vector<int> n_user; std::vector<int> n_user;
std::vector<int> start; std::vector<int> start;
@ -319,7 +319,7 @@ class inverse
{ {
public: public:
~inverse() {}; ~inverse() {};
inverse::inverse() inverse()
{ {
n_user = -1; n_user = -1;
description = NULL; description = NULL;
@ -331,22 +331,22 @@ public:
range_max = 1000.0; range_max = 1000.0;
tolerance = 1e-10; tolerance = 1e-10;
mp_tolerance = 1e-12; mp_tolerance = 1e-12;
uncertainties.clear(); //uncertainties.clear();
ph_uncertainties.clear(); //ph_uncertainties.clear();
water_uncertainty = 0.0; water_uncertainty = 0.0;
mineral_water = TRUE; mineral_water = TRUE;
carbon = TRUE; carbon = TRUE;
dalk_dph.clear(); //dalk_dph.clear();
dalk_dc.clear(); //dalk_dc.clear();
size_t count_solns = 0; count_solns = 0;
solns.clear(); //solns.clear();
force_solns.clear(); //force_solns.clear();
elts.clear(); //elts.clear();
phases.clear(); //phases.clear();
size_t count_redox_rxns = 0; count_redox_rxns = 0;
isotopes.clear(); //isotopes.clear();
i_u.clear(); //i_u.clear();
isotope_unknowns.clear(); //isotope_unknowns.clear();
netpath = NULL; netpath = NULL;
pat = NULL; pat = NULL;
} }
@ -383,12 +383,12 @@ class inv_elts
{ {
public: public:
~inv_elts() {}; ~inv_elts() {};
inv_elts::inv_elts() inv_elts()
{ {
name = NULL; name = NULL;
master = NULL; master = NULL;
row = 0; row = 0;
uncertainties.clear(); //uncertainties.clear();
} }
const char* name; const char* name;
class master* master; class master* master;
@ -399,12 +399,12 @@ class inv_isotope
{ {
public: public:
~inv_isotope() {}; ~inv_isotope() {};
inv_isotope::inv_isotope() inv_isotope()
{ {
isotope_name = NULL; isotope_name = NULL;
isotope_number = 0; isotope_number = 0;
elt_name = NULL; elt_name = NULL;
uncertainties.clear(); //uncertainties.clear();
} }
const char* isotope_name; const char* isotope_name;
LDBLE isotope_number; LDBLE isotope_number;
@ -415,14 +415,14 @@ class inv_phases
{ {
public: public:
~inv_phases() {}; ~inv_phases() {};
inv_phases::inv_phases() inv_phases()
{ {
name = NULL; name = NULL;
phase = NULL; phase = NULL;
column = 0; column = 0;
constraint = EITHER; constraint = EITHER;
force = FALSE; force = FALSE;
isotopes.clear(); //isotopes.clear();
} }
const char* name; const char* name;
class phase* phase; class phase* phase;
@ -465,7 +465,7 @@ class name_coef
{ {
public: public:
~name_coef() {}; ~name_coef() {};
name_coef::name_coef() name_coef()
{ {
name = NULL; name = NULL;
coef = 0; coef = 0;
@ -480,7 +480,7 @@ class species_list
{ {
public: public:
~species_list() {}; ~species_list() {};
species_list::species_list() species_list()
{ {
master_s = NULL; master_s = NULL;
s = NULL; s = NULL;
@ -497,7 +497,7 @@ class list0
{ {
public: public:
~list0() {}; ~list0() {};
list0::list0() list0()
{ {
target = NULL; target = NULL;
coef = 0; coef = 0;
@ -509,7 +509,7 @@ class list1
{ {
public: public:
~list1() {}; ~list1() {};
list1::list1() list1()
{ {
source = NULL; source = NULL;
target = NULL; target = NULL;
@ -521,7 +521,7 @@ class list2
{ {
public: public:
~list2() {}; ~list2() {};
list2::list2() list2()
{ {
source = NULL; source = NULL;
target = NULL; target = NULL;
@ -535,7 +535,7 @@ class isotope
{ {
public: public:
~isotope() {}; ~isotope() {};
isotope::isotope() isotope()
{ {
isotope_number = 0; isotope_number = 0;
elt_name = NULL; elt_name = NULL;
@ -563,7 +563,7 @@ class iso
{ {
public: public:
~iso() {}; ~iso() {};
iso::iso() iso()
{ {
name = NULL; name = NULL;
value = 0; value = 0;
@ -580,7 +580,7 @@ class stag_data
{ {
public: public:
~stag_data() {}; ~stag_data() {};
stag_data::stag_data() stag_data()
{ {
count_stag = 0; count_stag = 0;
exch_f = 0; exch_f = 0;
@ -596,7 +596,7 @@ class cell_data
{ {
public: public:
~cell_data() {}; ~cell_data() {};
cell_data::cell_data() cell_data()
{ {
length = 1; length = 1;
mid_cell_x = 1.; mid_cell_x = 1.;
@ -630,7 +630,7 @@ public:
//{ //{
//public: //public:
// ~key() {}; // ~key() {};
// key::key() // key()
// { // {
// name = NULL; // name = NULL;
// keycount = 0; // keycount = 0;
@ -642,7 +642,7 @@ public:
//{ //{
//public: //public:
// ~const_key() {}; // ~const_key() {};
// const_key::const_key() // const_key()
// { // {
// name = NULL; // name = NULL;
// keycount = 0; // keycount = 0;
@ -657,7 +657,7 @@ class element
{ {
public: public:
~element() {}; ~element() {};
element::element() element()
{ {
// element name // element name
name = NULL; name = NULL;
@ -678,7 +678,7 @@ class elt_list
{ {
public: public:
~elt_list() {}; ~elt_list() {};
elt_list::elt_list() elt_list()
{ /* list of name and number of elements in an equation */ { /* list of name and number of elements in an equation */
elt = NULL; /* pointer to element structure */ elt = NULL; /* pointer to element structure */
coef = 0.0; /* number of element e's in eqn */ coef = 0.0; /* number of element e's in eqn */
@ -693,7 +693,7 @@ class species
{ {
public: public:
~species() {}; ~species() {};
species::species() species()
{ /* all data pertinent to an aqueous species */ { /* all data pertinent to an aqueous species */
name = NULL; // name of species name = NULL; // name of species
mole_balance = NULL; // formula for mole balance mole_balance = NULL; // formula for mole balance
@ -733,7 +733,7 @@ public:
// regression coefficients to calculate temperature dependent phi_0and b_v of Millero density model // regression coefficients to calculate temperature dependent phi_0and b_v of Millero density model
for (size_t i = 0; i < 7; i++) millero[i] = 0; for (size_t i = 0; i < 7; i++) millero[i] = 0;
original_units = kjoules; // enum with original delta H units original_units = kjoules; // enum with original delta H units
add_logk.clear(); //add_logk.clear();
lg = 0; // log10 activity coefficient, gamma lg = 0; // log10 activity coefficient, gamma
lg_pitzer = 0; // log10 activity coefficient, from pitzer calculation lg_pitzer = 0; // log10 activity coefficient, from pitzer calculation
lm = 0; // log10 molality lm = 0; // log10 molality
@ -745,9 +745,9 @@ public:
gflag = 0; // flag for preferred activity coef eqn gflag = 0; // flag for preferred activity coef eqn
exch_gflag = 0; // flag for preferred activity coef eqn exch_gflag = 0; // flag for preferred activity coef eqn
// vector of elements // vector of elements
next_elt.clear(); //next_elt.clear();
next_secondary.clear(); //next_secondary.clear();
next_sys_total.clear(); //next_sys_total.clear();
// switch to check equation for charge and element balance // switch to check equation for charge and element balance
check_equation = TRUE; check_equation = TRUE;
//CReaction rxn; // data base reaction //CReaction rxn; // data base reaction
@ -817,7 +817,7 @@ class logk
{ {
public: public:
~logk() {}; ~logk() {};
logk::logk() logk()
{ /* Named log K's */ { /* Named log K's */
name = NULL; // name of species name = NULL; // name of species
lk = 0.0; // log10 k at working temperature lk = 0.0; // log10 k at working temperature
@ -826,7 +826,7 @@ public:
// enum with original delta H units // enum with original delta H units
original_units = kjoules; original_units = kjoules;
done = FALSE; done = FALSE;
add_logk.clear(); //add_logk.clear();
// log kt0, delh, 5 coefficients analalytical expression // log kt0, delh, 5 coefficients analalytical expression
for (size_t i = 0; i < MAX_LOG_K_INDICES; i++) log_k_original[i] = 0; for (size_t i = 0; i < MAX_LOG_K_INDICES; i++) log_k_original[i] = 0;
original_deltav_units = cm3_per_mol; original_deltav_units = cm3_per_mol;
@ -847,7 +847,7 @@ class phase
{ {
public: public:
~phase() {}; ~phase() {};
phase::phase() phase()
{ /* all data pertinent to a pure solid phase */ { /* all data pertinent to a pure solid phase */
name = NULL; //name of species name = NULL; //name of species
formula = NULL; // chemical formula formula = NULL; // chemical formula
@ -858,7 +858,7 @@ public:
// enum with original delta H units // enum with original delta H units
original_units = kjoules; original_units = kjoules;
original_deltav_units = cm3_per_mol; original_deltav_units = cm3_per_mol;
add_logk.clear(); //add_logk.clear();
moles_x = 0; moles_x = 0;
delta_max = 0; delta_max = 0;
p_soln_x = 0; p_soln_x = 0;
@ -879,7 +879,7 @@ public:
// for calculating multicomponent phi // for calculating multicomponent phi
pr_aa_sum2 = 0; pr_aa_sum2 = 0;
// delta_v[0] = [1] + [2]*T + [3]/T + [4]*log10(T) + [5]/T^2 + [6]*T^2 + [7]*P // delta_v[0] = [1] + [2]*T + [3]/T + [4]*log10(T) + [5]/T^2 + [6]*T^2 + [7]*P
for (size_t i = 0; i < 9; i++) delta_v[9] = 0; for (size_t i = 0; i < 9; i++) delta_v[i] = 0;
// si adapter: log10(phi) - delta_v[0] * (P - 1) /RT // si adapter: log10(phi) - delta_v[0] * (P - 1) /RT
pr_si_f = 0; pr_si_f = 0;
// Peng-Robinson in the calc's, or not // Peng-Robinson in the calc's, or not
@ -887,8 +887,8 @@ public:
// flag indicating presence in model and types of equations // flag indicating presence in model and types of equations
type = SOLID; type = SOLID;
// list of elements in phase // list of elements in phase
next_elt.clear(); //next_elt.clear();
next_sys_total.clear(); //next_sys_total.clear();
// switch to check equation for charge and element balance // switch to check equation for charge and element balance
check_equation = TRUE; check_equation = TRUE;
// data base reaction // data base reaction
@ -943,7 +943,7 @@ class master
{ {
public: public:
~master() {}; ~master() {};
master::master() master()
{ {
// TRUE if in model, FALSE if out, REWRITE if other mb eq // TRUE if in model, FALSE if out, REWRITE if other mb eq
in = 0; in = 0;
@ -1011,7 +1011,7 @@ class unknown
{ {
public: public:
~unknown() {}; ~unknown() {};
unknown::unknown() unknown()
{ {
type = 0; type = 0;
moles = 0; moles = 0;
@ -1022,7 +1022,7 @@ public:
la = 0; la = 0;
number = 0; number = 0;
description = NULL; description = NULL;
master.clear(); //master.clear();
phase = NULL; phase = NULL;
si = 0; si = 0;
n_gas_phase_user = 0; n_gas_phase_user = 0;
@ -1043,7 +1043,7 @@ public:
potential_unknown1 = NULL; potential_unknown1 = NULL;
potential_unknown2 = NULL; potential_unknown2 = NULL;
// list for CD_MUSIC of comps that contribute to 0 plane mass-balance term // list for CD_MUSIC of comps that contribute to 0 plane mass-balance term
comp_unknowns.clear(); //comp_unknowns.clear();
phase_unknown = NULL; phase_unknown = NULL;
mass_water = 1; mass_water = 1;
dissolve_only = FALSE; dissolve_only = FALSE;
@ -1099,11 +1099,11 @@ class reaction_temp
{ {
public: public:
~reaction_temp() {}; ~reaction_temp() {};
reaction_temp::reaction_temp() reaction_temp()
{ {
for (size_t i = 0; i < MAX_LOG_K_INDICES; i++) logk[i] = 0; for (size_t i = 0; i < MAX_LOG_K_INDICES; i++) logk[i] = 0;
for (size_t i = 0; i < 3; i++) dz[i] = 0; for (size_t i = 0; i < 3; i++) dz[i] = 0;
token.clear(); //token.clear();
} }
LDBLE logk[MAX_LOG_K_INDICES]; LDBLE logk[MAX_LOG_K_INDICES];
LDBLE dz[3]; LDBLE dz[3];
@ -1113,10 +1113,10 @@ class rxn_token_temp
{ {
public: public:
~rxn_token_temp() {}; ~rxn_token_temp() {};
rxn_token_temp::rxn_token_temp() rxn_token_temp()
{ // data for equations, aq. species or minerals { // data for equations, aq. species or minerals
name = NULL; // pointer to a species name (formula) name = NULL; // pointer to a species name (formula)
LDBLE z = 0; // charge on species z = 0; // charge on species
s = NULL; s = NULL;
unknown = NULL; unknown = NULL;
coef = 0; // coefficient of species name coef = 0; // coefficient of species name
@ -1131,7 +1131,7 @@ class unknown_list
{ {
public: public:
~unknown_list() {}; ~unknown_list() {};
unknown_list::unknown_list() unknown_list()
{ {
unknown = NULL; unknown = NULL;
source = NULL; source = NULL;
@ -1150,7 +1150,7 @@ class prints
{ {
public: public:
~prints() {}; ~prints() {};
prints::prints() prints()
{ {
all = 0; all = 0;
initial_solutions = 0; initial_solutions = 0;
@ -1227,7 +1227,7 @@ class rate
{ {
public: public:
~rate() {}; ~rate() {};
rate::rate() rate()
{ {
name = NULL; name = NULL;
//std::string commands; //std::string commands;
@ -1250,13 +1250,13 @@ class spread_row
{ {
public: public:
~spread_row() {}; ~spread_row() {};
spread_row::spread_row() spread_row()
{ {
count = 0; count = 0;
empty = 0, string = 0, number = 0; empty = 0, string = 0, number = 0;
char_vector.clear(); //char_vector.clear();
d_vector.clear(); //d_vector.clear();
type_vector.clear(); //type_vector.clear();
} }
int count; int count;
int empty, string, number; int empty, string, number;
@ -1268,7 +1268,7 @@ class defaults
{ {
public: public:
~defaults() {}; ~defaults() {};
defaults::defaults() defaults()
{ {
temp = 25; temp = 25;
density = 1; density = 1;
@ -1278,7 +1278,7 @@ public:
ph = 7; ph = 7;
pe = 4; pe = 4;
water = 1; water = 1;
iso.clear(); //iso.clear();
pressure = 1; /* pressure in atm */ pressure = 1; /* pressure in atm */
} }
LDBLE temp; LDBLE temp;
@ -1296,7 +1296,7 @@ class spread_sheet
{ {
public: public:
~spread_sheet() {}; ~spread_sheet() {};
spread_sheet::spread_sheet() spread_sheet()
{ {
heading = NULL; heading = NULL;
units = NULL; units = NULL;
@ -1317,7 +1317,7 @@ class master_isotope
{ {
public: public:
~master_isotope() {}; ~master_isotope() {};
master_isotope::master_isotope() master_isotope()
{ {
name = NULL; name = NULL;
master = NULL; master = NULL;
@ -1343,11 +1343,11 @@ class calculate_value
{ {
public: public:
~calculate_value() {}; ~calculate_value() {};
calculate_value::calculate_value() calculate_value()
{ {
name = NULL; name = NULL;
value = 0; value = 0;
commands.clear(); //commands.clear();
new_def = 0; new_def = 0;
calculated = 0; calculated = 0;
linebase = NULL; linebase = NULL;
@ -1366,7 +1366,7 @@ public:
class isotope_ratio class isotope_ratio
{ {
public: public:
isotope_ratio::isotope_ratio() isotope_ratio()
{ {
name = NULL; name = NULL;
isotope_name = NULL; isotope_name = NULL;
@ -1383,7 +1383,7 @@ public:
class isotope_alpha class isotope_alpha
{ {
public: public:
isotope_alpha::isotope_alpha() isotope_alpha()
{ {
name = NULL; name = NULL;
named_logk = NULL; named_logk = NULL;
@ -1398,7 +1398,7 @@ class system_species
{ {
public: public:
~system_species() {}; ~system_species() {};
system_species::system_species() system_species()
{ {
name = NULL; name = NULL;
type = NULL; type = NULL;
@ -1413,7 +1413,7 @@ class tally_buffer
{ {
public: public:
~tally_buffer() {}; ~tally_buffer() {};
tally_buffer::tally_buffer() tally_buffer()
{ {
name = NULL; name = NULL;
master = NULL; master = NULL;
@ -1429,19 +1429,19 @@ class tally
{ {
public: public:
~tally() {}; ~tally() {};
tally::tally() tally()
{ {
name = NULL; name = NULL;
type = UnKnown; type = UnKnown;
add_formula = NULL; add_formula = NULL;
moles = 0; moles = 0;
formula.clear(); //formula.clear();
/* /*
* first total is initial * first total is initial
* second total is final * second total is final
* third total is difference (final - initial) * third total is difference (final - initial)
*/ */
//class tally_buffer* total[3]; for(size_t i = 0; i < 3; i++) total[i]= NULL;
} }
const char* name; const char* name;
enum entity_type type; enum entity_type type;
@ -1460,7 +1460,7 @@ class spec
{ {
public: public:
~spec() {}; ~spec() {};
spec::spec() spec()
{ {
// name of species // name of species
name = NULL; name = NULL;
@ -1502,7 +1502,7 @@ class sol_D
{ {
public: public:
~sol_D() {}; ~sol_D() {};
sol_D::sol_D() sol_D()
{ {
// number of aqueous + exchange species // number of aqueous + exchange species
count_spec = 0; count_spec = 0;
@ -1526,7 +1526,7 @@ class J_ij
{ {
public: public:
~J_ij() {}; ~J_ij() {};
J_ij::J_ij() J_ij()
{ {
name = NULL; name = NULL;
// species change in cells i and j // species change in cells i and j
@ -1542,7 +1542,7 @@ class M_S
{ {
public: public:
~M_S() {}; ~M_S() {};
M_S::M_S() M_S()
{ {
name = NULL; name = NULL;
// master species transport in cells i and j // master species transport in cells i and j
@ -1564,7 +1564,7 @@ class pitz_param
{ {
public: public:
~pitz_param() {}; ~pitz_param() {};
pitz_param::pitz_param() pitz_param()
{ {
for(size_t i = 0; i < 3; i++) species[i] = NULL; for(size_t i = 0; i < 3; i++) species[i] = NULL;
for (size_t i = 0; i < 3; i++) ispec[i] = -1; for (size_t i = 0; i < 3; i++) ispec[i] = -1;
@ -1608,7 +1608,7 @@ class theta_param
{ {
public: public:
~theta_param() {}; ~theta_param() {};
theta_param::theta_param() theta_param()
{ {
zj = 0; zj = 0;
zk = 0; zk = 0;
@ -1624,13 +1624,13 @@ class const_iso
{ {
public: public:
~const_iso() {}; ~const_iso() {};
const_iso::const_iso() const_iso()
{ {
name = NULL; name = NULL;
value = 0; value = 0;
uncertainty = 0; uncertainty = 0;
} }
const_iso::const_iso(const char *n, LDBLE v, LDBLE u) const_iso(const char *n, LDBLE v, LDBLE u)
{ {
name = n; name = n;
value = v; value = v;

5
inverse.cpp
View File

@ -2767,7 +2767,8 @@ check_solns(class inverse *inv_ptr)
* the given constraints. If not, it is an error and the program will * the given constraints. If not, it is an error and the program will
* terminate. * terminate.
*/ */
int i, j; int i;
size_t j;
int k, l, m, n; int k, l, m, n;
int return_value; int return_value;
unsigned long bits; unsigned long bits;
@ -2824,7 +2825,7 @@ check_solns(class inverse *inv_ptr)
/* /*
* Zero out mass balance rows and fraction rows * Zero out mass balance rows and fraction rows
*/ */
for (size_t j = row_mb; j < row_charge; j++) for (j = row_mb; j < row_charge; j++)
{ {
memcpy((void *) &(array1[j * max_column_count]), memcpy((void *) &(array1[j * max_column_count]),
(void *) &(inv_zero[0]), (void *) &(inv_zero[0]),