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Squashed 'src/' changes from 178b05c2..2bcb24a8

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2bcb24a8 Merge commit '88d5ec20353fab67149768c11765c3c248ee0cea'
88d5ec20 Squashed 'phreeqcpp/' changes from 587223f..b6a23a2
d3b4b10b Merge pull request #48 from SpaceIm/fix/include-stddef-no-fortran
128b7a11 reorder classes in global_structures.h to avoid incomplete definitions
8bf2d298 add missing include of stddef.h in IPhreeqc.h if no fortran module

git-subtree-dir: src
git-subtree-split: 2bcb24a86a6da0e35150c73e0421634854a5d7b1
This commit is contained in:
Darth Vader 2024-08-14 21:45:07 +00:00
parent 7c714dfbd3
commit 2d96a18877
2 changed files with 112 additions and 108 deletions
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4
IPhreeqc.h
View File

@ -6,6 +6,10 @@
#include "Var.h"
#ifdef IPHREEQC_NO_FORTRAN_MODULE
#include <stddef.h>
#endif
/**
* @mainpage IPhreeqc Library Documentation (@PHREEQC_VER@-@REVISION_SVN@)
*

216
phreeqcpp/global_structures.h
View File

@ -210,6 +210,20 @@ struct Change_Surf
/*----------------------------------------------------------------------
* CReaction
*---------------------------------------------------------------------- */
class rxn_token
{
public:
~rxn_token() {};
rxn_token()
{
s = NULL;
coef = 0.0;
name = NULL;
}
class species* s;
LDBLE coef;
const char* name;
};
class CReaction
{
public:
@ -229,20 +243,6 @@ public:
double dz[3];
std::vector<class rxn_token> token;
};
class rxn_token
{
public:
~rxn_token() {};
rxn_token()
{
s = NULL;
coef = 0.0;
name = NULL;
}
class species* s;
LDBLE coef;
const char* name;
};
class save
{
public:
@ -322,6 +322,86 @@ public:
/*----------------------------------------------------------------------
* Inverse
*---------------------------------------------------------------------- */
class inv_elts
{
public:
~inv_elts() {};
inv_elts()
{
name = NULL;
master = NULL;
row = 0;
//uncertainties.clear();
}
const char* name;
class master* master;
size_t row;
std::vector<double> uncertainties;
};
class isotope
{
public:
~isotope() {};
isotope()
{
isotope_number = 0;
elt_name = NULL;
isotope_name = NULL;
total = 0;
ratio = 0;
ratio_uncertainty = 0;
x_ratio_uncertainty = 0;
master = NULL;
primary = NULL;
coef = 0; /* coefficient of element in phase */
}
LDBLE isotope_number;
const char* elt_name;
const char* isotope_name;
LDBLE total;
LDBLE ratio;
LDBLE ratio_uncertainty;
LDBLE x_ratio_uncertainty;
class master* master;
class master* primary;
LDBLE coef;
};
class inv_isotope
{
public:
~inv_isotope() {};
inv_isotope()
{
isotope_name = NULL;
isotope_number = 0;
elt_name = NULL;
//uncertainties.clear();
}
const char* isotope_name;
LDBLE isotope_number;
const char* elt_name;
std::vector<double> uncertainties;
};
class inv_phases
{
public:
~inv_phases() {};
inv_phases()
{
name = NULL;
phase = NULL;
column = 0;
constraint = EITHER;
force = FALSE;
//isotopes.clear();
}
const char* name;
class phase* phase;
int column;
int constraint;
int force;
std::vector<class isotope> isotopes;
};
class inverse
{
public:
@ -386,58 +466,6 @@ public:
const char* netpath;
const char* pat;
};
class inv_elts
{
public:
~inv_elts() {};
inv_elts()
{
name = NULL;
master = NULL;
row = 0;
//uncertainties.clear();
}
const char* name;
class master* master;
size_t row;
std::vector<double> uncertainties;
};
class inv_isotope
{
public:
~inv_isotope() {};
inv_isotope()
{
isotope_name = NULL;
isotope_number = 0;
elt_name = NULL;
//uncertainties.clear();
}
const char* isotope_name;
LDBLE isotope_number;
const char* elt_name;
std::vector<double> uncertainties;
};
class inv_phases
{
public:
~inv_phases() {};
inv_phases()
{
name = NULL;
phase = NULL;
column = 0;
constraint = EITHER;
force = FALSE;
//isotopes.clear();
}
const char* name;
class phase* phase;
int column;
int constraint;
int force;
std::vector<class isotope> isotopes;
};
/*----------------------------------------------------------------------
* Jacobian and Mass balance lists
*---------------------------------------------------------------------- */
@ -538,34 +566,6 @@ public:
LDBLE* target;
LDBLE coef;
};
class isotope
{
public:
~isotope() {};
isotope()
{
isotope_number = 0;
elt_name = NULL;
isotope_name = NULL;
total = 0;
ratio = 0;
ratio_uncertainty = 0;
x_ratio_uncertainty = 0;
master = NULL;
primary = NULL;
coef = 0; /* coefficient of element in phase */
}
LDBLE isotope_number;
const char* elt_name;
const char* isotope_name;
LDBLE total;
LDBLE ratio;
LDBLE ratio_uncertainty;
LDBLE x_ratio_uncertainty;
class master* master;
class master* primary;
LDBLE coef;
};
class iso
{
public:
@ -1107,20 +1107,6 @@ public:
/*----------------------------------------------------------------------
* Reaction work space
*---------------------------------------------------------------------- */
class reaction_temp
{
public:
~reaction_temp() {};
reaction_temp()
{
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;
//token.clear();
}
LDBLE logk[MAX_LOG_K_INDICES];
LDBLE dz[3];
std::vector<class rxn_token_temp> token;
};
class rxn_token_temp
{
public:
@ -1139,6 +1125,20 @@ public:
class unknown* unknown;
LDBLE coef;
};
class reaction_temp
{
public:
~reaction_temp() {};
reaction_temp()
{
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;
//token.clear();
}
LDBLE logk[MAX_LOG_K_INDICES];
LDBLE dz[3];
std::vector<class rxn_token_temp> token;
};
class unknown_list
{
public: