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Removed P_INSTANCE for error_msg, which removed entirely from

Browse Source 
some methods.

Began moving xx2struct into phreeqc from class definitions.

First moved was cxxMix2mix to structures.c.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5648 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2011-09-26 20:24:17 +00:00
parent c2987e2d6b
commit 12d62e8e54
29 changed files with 95 additions and 1887 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
ChartHandler.cpp
View File

@ -120,7 +120,7 @@ ChartHandler::Read(PHREEQC_PTR_ARG_COMMA CParser &parser)
return true;
}
bool
ChartHandler::End_timer(PHREEQC_PTR_ARG)
ChartHandler::End_timer()
{
size_t max_tries = 1000;
@ -156,7 +156,7 @@ ChartHandler::End_timer(PHREEQC_PTR_ARG)
}
if (i >= max_tries || i2 >= max_tries)
{
P_INSTANCE_POINTER error_msg("Chart did not respond.", CONTINUE);
error_msg("Chart did not respond.", CONTINUE);
}
}
}

2
ChartHandler.h
View File

@ -29,7 +29,7 @@ public:
}
bool Read(PHREEQC_PTR_ARG_COMMA CParser &parser);
void Punch_user_graph(PHREEQC_PTR_ARG);
bool End_timer(PHREEQC_PTR_ARG);
bool End_timer();
bool dump(std::ostream & oss, unsigned int indent);
protected:
std::map<int, ChartObject *> chart_map;

20
ChartObject.cpp
View File

@ -152,7 +152,7 @@ ChartObject::Set_axis_scale(CParser & parser)
}
if (string_vector.size() == 0)
{
P_INSTANCE_POINTER error_msg("No axis defined for scales", CParser::OT_CONTINUE);
error_msg("No axis defined for scales", CParser::OT_CONTINUE);
return false;
}
std::string str = string_vector[0];
@ -179,7 +179,7 @@ ChartObject::Set_axis_scale(CParser & parser)
estream << "Found " << str;
estream << ", but expect axis type \'x\', \'y\', \'y2\'or \'sy\'.";
estream << std::endl;
P_INSTANCE_POINTER error_msg(estream.str().c_str(), CParser::OT_CONTINUE);
error_msg(estream.str().c_str(), CParser::OT_CONTINUE);
return false;
}
@ -200,7 +200,7 @@ ChartObject::Set_axis_scale(CParser & parser)
estream << "Found " << s;
estream << ", but expect number or 'a(uto)'.";
estream << std::endl;
P_INSTANCE_POINTER error_msg(estream.str().c_str(), CONTINUE);
error_msg(estream.str().c_str(), CONTINUE);
return false;
}
}
@ -216,7 +216,7 @@ ChartObject::Set_axis_scale(CParser & parser)
std::ostringstream estream;
estream << "MIN and MAX must be > 0 for log " << type << "-scale.";
estream << std::endl;
P_INSTANCE_POINTER error_msg(estream.str().c_str(), CONTINUE);
error_msg(estream.str().c_str(), CONTINUE);
return false;
}
@ -229,7 +229,7 @@ ChartObject::Set_axis_scale(CParser & parser)
std::ostringstream estream;
estream << "Maximum must be larger than minimum of axis_scale " << type << "-scale." << std::endl;
estream << "Switching values for MIN and MAX. " << std::endl;
P_INSTANCE_POINTER warning_msg(estream.str().c_str());
warning_msg(estream.str().c_str());
double t;
t = scale_ptr[0];
scale_ptr[0] = scale_ptr[1];
@ -315,8 +315,8 @@ ChartObject::Read(CParser & parser)
break;
case CParser::OPT_ERROR:
opt = CParser::OPT_EOF;
P_INSTANCE_POINTER error_msg("Unknown input in USER_GRAPH keyword.", CONTINUE);
P_INSTANCE_POINTER error_msg(parser.line().c_str(), CONTINUE);
error_msg("Unknown input in USER_GRAPH keyword.", CONTINUE);
error_msg(parser.line().c_str(), CONTINUE);
useLastLine = false;
break;
case 0: /* start */
@ -376,7 +376,7 @@ ChartObject::Read(CParser & parser)
{
std::ostringstream estream;
estream << "Found " << token << ", but expect plot type: (\'x\' or \'dist\') for distance, (\'t\') for time.";
P_INSTANCE_POINTER error_msg(estream.str().c_str(), CONTINUE);
error_msg(estream.str().c_str(), CONTINUE);
}
break;
case 9: /* shifts_as_points */
@ -474,7 +474,7 @@ ChartObject::OpenCSVFile(std::string file_name)
{
std::ostringstream estream;
estream << "Could not open csv file for USER_GRAPH " << file_name;
P_INSTANCE_POINTER error_msg(estream.str().c_str(), CONTINUE);
error_msg(estream.str().c_str(), CONTINUE);
return false;
}
@ -904,7 +904,7 @@ ChartObject::SaveCurvesToFile(std::string &file_name)
{
std::ostringstream estream;
estream << "Could not open csv file for USER_GRAPH " << file_name;
P_INSTANCE_POINTER error_msg(estream.str().c_str(), CONTINUE);
error_msg(estream.str().c_str(), CONTINUE);
return;
}

20
ExchComp.cxx
View File

@ -148,7 +148,7 @@ cxxExchComp::get_master(PHREEQC_PTR_ARG)
error_oss << "Master species not in data base for " << elt_ptr->
name << std::endl;
//Utilities::error_msg(error_oss.str(), STOP);
P_INSTANCE_POINTER error_msg(error_oss.str().c_str(), CONTINUE);
error_msg(error_oss.str().c_str(), CONTINUE);
return (NULL);
}
if (elt_ptr->master->type != EX)
@ -172,7 +172,7 @@ cxxExchComp::get_master(PHREEQC_PTR_ARG)
error_oss << "Master species not in data base for " <<
elt_ptr->name << std::endl;
//Utilities::error_msg(error_oss.str(), STOP);
P_INSTANCE_POINTER error_msg(error_oss.str().c_str(), CONTINUE);
error_msg(error_oss.str().c_str(), CONTINUE);
return (NULL);
}
if (elt_ptr->master->type != EX)
@ -188,7 +188,7 @@ cxxExchComp::get_master(PHREEQC_PTR_ARG)
"Exchange formula does not contain an exchange master species, "
<< this->formula << std::endl;
//Utilities::error_msg(error_oss.str(), CONTINUE);
P_INSTANCE_POINTER error_msg(error_oss.str().c_str(), CONTINUE);
error_msg(error_oss.str().c_str(), CONTINUE);
std::ostringstream oss;
this->dump_raw(oss, 0);
@ -552,7 +552,7 @@ cxxExchComp::read_raw(CParser & parser, bool check)
}
}
void
cxxExchComp::add(PHREEQC_PTR_ARG_COMMA const cxxExchComp & addee, double extensive)
cxxExchComp::add(const cxxExchComp & addee, double extensive)
{
double ext1, ext2, f1, f2;
if (extensive == 0.0)
@ -604,8 +604,8 @@ cxxExchComp::add(PHREEQC_PTR_ARG_COMMA const cxxExchComp & addee, double extensi
oss <<
"Can not mix two exchange components with same formula and different related phases, "
<< this->formula;
P_INSTANCE_POINTER error_msg(oss.str().c_str(), CONTINUE);
P_INSTANCE_POINTER input_error++;
error_msg(oss.str().c_str(), CONTINUE);
//input_error++;
return;
}
else if (this->phase_name.size() != 0)
@ -620,8 +620,8 @@ cxxExchComp::add(PHREEQC_PTR_ARG_COMMA const cxxExchComp & addee, double extensi
oss <<
"Can not mix two exchange components with same formula and different related kinetics, "
<< this->formula;
P_INSTANCE_POINTER error_msg(oss.str().c_str(), CONTINUE);
P_INSTANCE_POINTER input_error++;
error_msg(oss.str().c_str(), CONTINUE);
//input_error++;
return;
}
else if (this->rate_name.size() != 0)
@ -637,8 +637,8 @@ cxxExchComp::add(PHREEQC_PTR_ARG_COMMA const cxxExchComp & addee, double extensi
oss <<
"Can not mix exchange components related to phase with exchange components related to kinetics, "
<< this->formula;
P_INSTANCE_POINTER error_msg(oss.str().c_str(), CONTINUE);
P_INSTANCE_POINTER input_error++;
error_msg(oss.str().c_str(), CONTINUE);
//input_error++;
return;
}
}

2
ExchComp.h
View File

@ -132,7 +132,7 @@ class cxxExchComp: public PHRQ_base
};
void add(PHREEQC_PTR_ARG_COMMA const cxxExchComp & comp, double extensive);
void add(const cxxExchComp & comp, double extensive);
void multiply(double extensive);

10
Exchange.cxx
View File

@ -67,15 +67,15 @@ cxxNumKeyword(io)
//
// Mix exchangers
//
std::map < int, double >*mixcomps = mix.comps();
std::map < int, double >&mixcomps = mix.Get_mixComps();
std::map < int, double >::const_iterator it;
for (it = mixcomps->begin(); it != mixcomps->end(); it++)
for (it = mixcomps.begin(); it != mixcomps.end(); it++)
{
if (entities.find(it->first) != entities.end())
{
const cxxExchange *entity_ptr =
&(entities.find(it->first)->second);
this->add(P_INSTANCE_COMMA *entity_ptr, it->second);
this->add(*entity_ptr, it->second);
this->pitzer_exchange_gammas = entity_ptr->pitzer_exchange_gammas;
}
#ifdef SKIP
@ -465,7 +465,7 @@ cxxExchange::add(const cxxExchange & addee, double extensive)
}
#endif
void
cxxExchange::add(PHREEQC_PTR_ARG_COMMA const cxxExchange & addee, double extensive)
cxxExchange::add(const cxxExchange & addee, double extensive)
//
// Add existing exchange to "this" exchange
//
@ -479,7 +479,7 @@ cxxExchange::add(PHREEQC_PTR_ARG_COMMA const cxxExchange & addee, double extensi
std::map < std::string, cxxExchComp >::iterator it = this->exchComps.find((*itadd).first);
if (it != this->exchComps.end())
{
(*it).second.add(P_INSTANCE_COMMA (*itadd).second, extensive);
(*it).second.add((*itadd).second, extensive);
//bool found = false;
//for (std::list < cxxExchComp >::iterator it = this->exchComps.begin();
// it != this->exchComps.end(); ++it)

2
Exchange.h
View File

@ -47,7 +47,7 @@ public:
void mpi_unpack(int *ints, int *ii, double *doubles, int *dd);
#endif
private:
void add(PHREEQC_PTR_ARG_COMMA const cxxExchange & addee, double extensive);
void add(const cxxExchange & addee, double extensive);
// not written
void dump_xml(std::ostream & os, unsigned int indent = 0) const;

10
GasPhase.cxx
View File

@ -69,7 +69,7 @@ cxxNumKeyword(io)
gas_phase_ptr->comps[i].moles;
}
}
cxxGasPhase::cxxGasPhase(PHREEQC_PTR_ARG_COMMA const std::map < int, cxxGasPhase > &entities,
cxxGasPhase::cxxGasPhase(const std::map < int, cxxGasPhase > &entities,
cxxMix & mix, int l_n_user, PHRQ_io * io):
cxxNumKeyword(io)
{
@ -82,9 +82,9 @@ cxxNumKeyword(io)
// Mix
//
//cxxNameDouble gasPhaseComps;
std::map < int, double >*mixcomps = mix.comps();
std::map < int, double >&mixcomps = mix.Get_mixComps();
std::map < int, double >::const_iterator it;
for (it = mixcomps->begin(); it != mixcomps->end(); it++)
for (it = mixcomps.begin(); it != mixcomps.end(); it++)
{
if (entities.find(it->first) != entities.end())
{
@ -108,8 +108,8 @@ cxxNumKeyword(io)
{
std::ostringstream oss;
oss << "Can not mix two gas_phases with differing types.";
P_INSTANCE_POINTER error_msg(oss.str().c_str(), CONTINUE);
P_INSTANCE_POINTER input_error++;
error_msg(oss.str().c_str(), CONTINUE);
//input_error++;
return;
}

2
GasPhase.h
View File

@ -17,7 +17,7 @@ class cxxGasPhase:public cxxNumKeyword
public:
cxxGasPhase(PHRQ_io * io=NULL);
cxxGasPhase(struct gas_phase *, PHRQ_io * io=NULL);
cxxGasPhase(PHREEQC_PTR_ARG_COMMA const std::map < int, cxxGasPhase > &entity_map,
cxxGasPhase(const std::map < int, cxxGasPhase > &entity_map,
cxxMix & mx, int n_user, PHRQ_io * io=NULL);
~cxxGasPhase();

6
ISolution.cxx
View File

@ -133,8 +133,8 @@ cxxISolution::ConvertUnits(PHREEQC_PTR_ARG)
std::ostringstream oss;
oss << "Could not find gfw, " << iter->second.
get_description();
P_INSTANCE_POINTER error_msg(oss.str().c_str(), CONTINUE);
P_INSTANCE_POINTER input_error++;
error_msg(oss.str().c_str(), CONTINUE);
//P_INSTANCE_POINTER input_error++;
}
}
/*
@ -775,7 +775,7 @@ cxxISolution::ORCH_write_chemistry_alkalinity(std::ostream & chemistry_dat)
oss <<
"pH can not be adjusted to charge balance or phase equilibrium when specifying C or C(4) and Alkalinty.";
error_msg(oss.str().c_str(), CONTINUE);
P_INSTANCE_POINTER input_error++;
//P_INSTANCE_POINTER input_error++;
}
chemistry_dat << "@solve (pH, 1e-6, lin, 1, Alkalinity, 7)" <<
std::endl;

8
ISolutionComp.cxx
View File

@ -130,8 +130,8 @@ cxxISolutionComp::set_gfw(PHREEQC_PTR_ARG)
{
std::ostringstream oss;
oss << "Could not compute gfw, " << this->as;
P_INSTANCE_POINTER error_msg(oss.str().c_str(), CONTINUE);
P_INSTANCE_POINTER input_error++;
error_msg(oss.str().c_str(), CONTINUE);
//P_INSTANCE_POINTER input_error++;
return;
}
//if (this->description == "Alkalinity" && this->as == "CaCO3")
@ -154,8 +154,8 @@ cxxISolutionComp::set_gfw(PHREEQC_PTR_ARG)
}
std::ostringstream oss;
oss << "Could not find gfw, " << this->description;
P_INSTANCE_POINTER error_msg(oss.str().c_str(), CONTINUE);
P_INSTANCE_POINTER input_error++;
error_msg(oss.str().c_str(), CONTINUE);
//P_INSTANCE_POINTER input_error++;
return;
}

4
NameDouble.cxx
View File

@ -581,7 +581,7 @@ cxxNameDouble::mpi_pack(std::vector < int >&ints,
}
}
void
cxxNameDouble::mpi_pack(PHREEQC_PTR_ARG_COMMA int *ints, int *ii, double *doubles, int *dd)
cxxNameDouble::mpi_pack(int *ints, int *ii, double *doubles, int *dd)
{
int i = *ii;
int d = *dd;
@ -594,7 +594,7 @@ cxxNameDouble::mpi_pack(PHREEQC_PTR_ARG_COMMA int *ints, int *ii, double *double
if (n < 0)
{
std::cerr << it->first << std::endl;
P_INSTANCE_POINTER error_msg("Name in NameDouble was not defined in dictionary?\n",
error_msg("Name in NameDouble was not defined in dictionary?\n",
STOP);
}
//ints.push_back(n);

1454
PHRQ_Parser.cxx
View File

File diff suppressed because it is too large Load Diff

347
PHRQ_Parser.h
View File

@ -1,347 +0,0 @@
#if !defined(PHRQ_PARSER_H_INCLUDED)
#define PHRQ_PARSER_H_INCLUDED
#include <string> // std::string
#include <map> // std::map
#include <vector> // std::vector
#include <sstream> // std::istringstream std::ostringstream
#include <ostream> // std::ostream
#include <istream> // std::istream
#include "Phreeqc_class.h"
#if defined (PHREEQC_CLASS)
class Phreeqc;
#define PHREEQC_NAME_SPACE Phreeqc::
#define PHREEQC_COOKIE this->p_instance->
#define ERROR_MESSAGE_QUALIFIER this->p_instance->
#else
#define PHREEQC_NAME_SPACE ::
#define PHREEQC_COOKIE
#define ERROR_MESSAGE_QUALIFIER ::
extern int input_error;
#endif
class PHRQ_Parser
{
public:
PHRQ_Parser(PHREEQC_PTR_ARG_COMMA std::istream & input);
PHRQ_Parser(PHREEQC_PTR_ARG_COMMA std::istream & input, std::ostream & output);
PHRQ_Parser(PHREEQC_PTR_ARG_COMMA std::istream & input, std::ostream & output,
std::ostream & error);
virtual ~ PHRQ_Parser();
enum LINE_TYPE
{
LT_EOF = -1,
LT_OK = 1,
LT_EMPTY = 2,
LT_KEYWORD = 3,
LT_OPTION = 8
};
enum TOKEN_TYPE
{
TT_EMPTY = 2,
TT_UPPER = 4,
TT_LOWER = 5,
TT_DIGIT = 6,
TT_UNKNOWN = 7
};
enum FIND_TYPE
{
FT_OK = 0,
FT_ERROR = 1
};
enum KEY_TYPE
{
KT_NONE = -1,
KT_END = 0,
KT_EOF = 1,
KT_SOLUTION_RAW = 5,
KT_EXCHANGE_RAW = 6,
KT_GASPHASE_RAW = 7,
KT_KINETICS_RAW = 8,
KT_PPASSEMBLAGE_RAW = 9,
KT_SSASSEMBLAGE_RAW = 10,
KT_SURFACE_RAW = 11,
KT_TEMPERATURE_RAW = 12,
KT_REACTION_RAW = 13
#if defined MULTICHART
, KT_USER_GRAPH = 14
#endif
};
enum OPT_TYPE
{
OPT_DEFAULT = -4,
OPT_ERROR = -3,
OPT_KEYWORD = -2,
OPT_EOF = -1
};
enum ONERROR_TYPE
{
OT_CONTINUE = 0,
OT_STOP = 1
};
enum ECHO_OPTION
{
EO_NONE = 0,
EO_ALL = 1,
EO_KEYWORDS = 2,
EO_NOKEYWORDS = 3
};
enum STATUS_TYPE
{
PARSER_ERROR = 0,
PARSER_OK = 1
};
/**
Function gets a new line and checks for empty, eof, and keywords.
Arguments:
string Input, character string used in printing error message
allow_empty Input, True or false, if a blank line is accepable
if false, another line is read
allow_eof Input, True or false, if EOF is acceptable
allow_keyword Input, True or false, if a keyword is acceptable
Returns:
LT_EMPTY if empty line read and allow_empty == true
LT_KEYWORD if line begins with keyword
LT_EOF if eof and allow_eof == true
LT_OK otherwise
LT_OPTION if line begins with -[alpha]
Terminates if EOF and allow_eof == false.
*/
LINE_TYPE check_line(const std::string & str, bool allow_empty,
bool allow_eof, bool allow_keyword, bool print);
/**
Read a line from input file put in "line".
Copy of input line is stored in "line_save".
Characters after # are discarded in line but retained in "line_save"
Arguments:
None
Returns:
LT_EMPTY,
LT_EOF,
LT_KEYWORD,
LT_OK,
LT_OPTION
*/
LINE_TYPE get_line();
// bool check_key(const std::string::iterator ptr);
bool check_key(std::string::iterator begin, std::string::iterator end);
STATUS_TYPE check_units(std::string & tot_units, bool alkalinity,
bool check_compatibility,
const std::string & default_units, bool print);
KEY_TYPE next_keyword() const
{
return m_next_keyword;
}
int get_option(const std::vector < std::string > &opt_list,
std::string::iterator & next_char);
int get_option(const std::vector < std::string > &opt_list,
std::istream::pos_type & next_pos);
int getOptionFromLastLine(const std::vector < std::string > &opt_list,
std::string::iterator & next_char);
int getOptionFromLastLine(const std::vector < std::string > &opt_list,
std::istream::pos_type & next_pos);
std::string & line()
{
return m_line;
}
std::string & get_accumulated()
{
return accumulated;
}
void set_accumulate(bool tf)
{
if (tf)
{
accumulated.clear();
}
this->accumulate = tf;
}
std::istringstream & get_iss()
{
return m_line_iss;
}
int incr_input_error();
std::ostream & get_output()
{
return m_output_stream;
}
int get_input_error()
{
return m_input_error;
}
std::istream::pos_type tellg()
{
return m_input_stream.tellg();
}
std::istream& seekg(std::istream::pos_type p)
{
return m_input_stream.seekg(p);
}
/**
Copies from begin to token until first space is encountered.
Arguments:
token output, the token
begin input, begin iterator
end input, end iterator
Returns:
TT_EMPTY
TT_UPPER
TT_LOWER
TT_DIGIT
TT_UNKNOWN
*/
static TOKEN_TYPE copy_token(std::string & token,
std::string::iterator & begin,
std::string::iterator & end);
static PHRQ_Parser::TOKEN_TYPE copy_title(std::string & token,
std::string::iterator & begin,
std::string::iterator & end);
static TOKEN_TYPE token_type(const std::string & token);
static TOKEN_TYPE copy_token(std::string & token, std::istream & is);
TOKEN_TYPE copy_token(std::string & token, std::istream::pos_type & pos);
bool get_true_false(std::istream::pos_type & pos, bool def);
TOKEN_TYPE get_rest_of_line(std::string &token);
static TOKEN_TYPE parse_delimited(std::string & source, std::string & result, const std::string& t);
PHRQ_Parser::TOKEN_TYPE peek_token();
/**
Function reads an element name out of the equation string.
An element name is composed of a capital letter followed by any number
of lower case characters.
Arguments:
begin input, points to position in the equation to begin
output, points to next character of equation after
element name.
end input, points to last position in the equation
element input pointer to place to return element character string
*/
STATUS_TYPE get_elt(std::string::iterator & begin,
const std::string::iterator end,
std::string & element);
/**
Compares a string value to match beginning letters of a list of options
Arguments:
item entry: pointer to string to compare
n exit: item in list that was matched
list entry: pointer to list of character values, assumed to
be lower case
count_list entry: number of character values in list
Returns:
OK item matched
ERROR item not matched
n -1 item not matched
i position of match in list
*/
static FIND_TYPE find_option(const std::string & item, int *n,
const std::vector < std::string > &list,
bool exact);
int error_msg(const std::ostringstream & err_str, ONERROR_TYPE stop)
{
return error_msg(err_str.str().c_str(), stop);
}
int error_msg(const char *err_str, ONERROR_TYPE stop);
int warning_msg(const char *err_str);
void set_echo_file(ECHO_OPTION opt)
{
echo_file = opt;
}
ECHO_OPTION get_echo_file()
{
return this->echo_file;
};
void set_echo_stream(ECHO_OPTION opt)
{
echo_stream = opt;
}
ECHO_OPTION get_echo_stream()
{
return this->echo_stream;
};
STATUS_TYPE parse_couple(std::string & token);
//STATUS_TYPE addPair(std::map < char *, double, CHARSTAR_LESS > &totals,
// std::istream::pos_type & pos);
STATUS_TYPE addPair(std::map < std::string, double >&totals,
std::istream::pos_type & pos);
protected:
LINE_TYPE get_logical_line();
private:
std::istream & m_input_stream;
std::ostream & m_output_stream;
std::ostream & m_error_stream;
int m_input_error;
KEY_TYPE m_next_keyword;
std::string m_line;
std::string m_line_save;
std::istringstream m_line_iss;
LINE_TYPE m_line_type;
ECHO_OPTION echo_stream;
ECHO_OPTION echo_file;
std::string accumulated;
bool accumulate;
#if defined(PHREEQC_CLASS)
Phreeqc * p_instance;
#endif
};
//// Global functions
//inline std::string trim_right(const std::string &source , const std::string& t = " \t")
//{
// std::string str = source;
// return str.erase( str.find_last_not_of(t) + 1);
//}
//
//inline std::string trim_left( const std::string& source, const std::string& t = " \t")
//{
// std::string str = source;
// return str.erase(0 , source.find_first_not_of(t) );
//}
//
//inline std::string trim(const std::string& source, const std::string& t = " \t")
//{
// std::string str = source;
// return trim_left( trim_right( str , t) , t );
//}
#endif // PHRQ_PARSER_H_INCLUDED

6
PPassemblage.cxx
View File

@ -63,9 +63,9 @@ cxxNumKeyword(io)
//
// Mix
//
std::map < int, double >*mixcomps = mix.comps();
std::map < int, double >&mixcomps = mix.Get_mixComps();
std::map < int, double >::const_iterator it;
for (it = mixcomps->begin(); it != mixcomps->end(); it++)
for (it = mixcomps.begin(); it != mixcomps.end(); it++)
{
if (entities.find(it->first) != entities.end())
{
@ -372,7 +372,7 @@ cxxPPassemblage::add(PHREEQC_PTR_ARG_COMMA const cxxPPassemblage & addee, double
{
if ((*it).second.get_name() == itadd->second.get_name())
{
(*it).second.add(P_INSTANCE_COMMA (*itadd).second, extensive);
(*it).second.add((*itadd).second, extensive);
found = true;
break;
}

6
PPassemblageComp.cxx
View File

@ -464,7 +464,7 @@ cxxPPassemblageComp::totalize(PHREEQC_PTR_ARG)
void
cxxPPassemblageComp::add(PHREEQC_PTR_ARG_COMMA const cxxPPassemblageComp & addee, double extensive)
cxxPPassemblageComp::add(const cxxPPassemblageComp & addee, double extensive)
{
double ext1, ext2, f1, f2;
if (extensive == 0.0)
@ -500,8 +500,8 @@ cxxPPassemblageComp::add(PHREEQC_PTR_ARG_COMMA const cxxPPassemblageComp & addee
oss <<
"Can not mix two Equilibrium_phases with differing add_formulae., "
<< this->name;
P_INSTANCE_POINTER error_msg(oss.str().c_str(), CONTINUE);
P_INSTANCE_POINTER input_error++;
error_msg(oss.str().c_str(), CONTINUE);
//P_INSTANCE_POINTER input_error++;
return;
}
//double si;

2
PPassemblageComp.h
View File

@ -56,7 +56,7 @@ class cxxPPassemblageComp: public PHRQ_base
return (this->totals);
};
void add(PHREEQC_PTR_ARG_COMMA const cxxPPassemblageComp & comp, double extensive);
void add(const cxxPPassemblageComp & comp, double extensive);
void multiply(double extensive);
#ifdef USE_MPI

4
Phreeqc.h
View File

@ -35,6 +35,7 @@ class cxxNameDouble;
#undef extern
#include "global_structures.h"
#include "pitzer_structures.h"
class cxxMix;
class Phreeqc
{
public:
@ -1228,6 +1229,9 @@ extern void free_spread(void);
extern void MergeFinalize(void);
#endif
// convert class to struct
struct mix * cxxMix2mix(cxxMix &mx);
/* tally.c */
void add_all_components_tally(void);

3
ReadClass.cxx
View File

@ -870,7 +870,8 @@ read_mix_raw(void)
cxxMix ex(&phrq_io);
ex.read_raw(parser);
struct mix *mix_ptr = ex.cxxMix2mix(PHREEQC_THIS);
//struct mix *mix_ptr = ex.cxxMix2mix(PHREEQC_THIS);
struct mix *mix_ptr = cxxMix2mix(ex);
int n;
/*

4
SSassemblage.cxx
View File

@ -61,9 +61,9 @@ cxxNumKeyword(io)
//
// Mix
//
std::map < int, double >*mixcomps = mix.comps();
std::map < int, double >&mixcomps = mix.Get_mixComps();
std::map < int, double >::const_iterator it;
for (it = mixcomps->begin(); it != mixcomps->end(); it++)
for (it = mixcomps.begin(); it != mixcomps.end(); it++)
{
if (entities.find(it->first) != entities.end())
{

21
Solution.cxx
View File

@ -96,7 +96,7 @@ isotopes(solution_ptr, io)
}
cxxSolution::cxxSolution(PHREEQC_PTR_ARG_COMMA const std::map < int, cxxSolution > &solutions,
cxxSolution::cxxSolution(const std::map < int, cxxSolution > &solutions,
cxxMix & mix, int l_n_user, PHRQ_io * io)
//
// constructor for cxxSolution from mixture of solutions
@ -114,18 +114,21 @@ isotopes(io)
//
// Mix solutions
//
std::map < int, double >*mixcomps = mix.comps();
std::map < int, double >&mixcomps = mix.Get_mixComps();
std::map < int, double >::const_iterator it;
for (it = mixcomps->begin(); it != mixcomps->end(); it++)
for (it = mixcomps.begin(); it != mixcomps.end(); it++)
{
std::map < int, cxxSolution >::const_iterator sol =
solutions.find(it->first);
if (sol == solutions.end())
{
sprintf(P_INSTANCE_POINTER error_string,
"Solution %d not found in mix_cxxSolutions.", it->first);
P_INSTANCE_POINTER error_msg(P_INSTANCE_POINTER error_string, CONTINUE);
P_INSTANCE_POINTER input_error++;
//sprintf(P_INSTANCE_POINTER error_string,
// "Solution %d not found in mix_cxxSolutions.", it->first);
//error_msg(P_INSTANCE_POINTER error_string, CONTINUE);
//P_INSTANCE_POINTER input_error++;
std::ostringstream msg;
msg << "Solution " << it->first << " not found in mix_cxxSolutions.";
error_msg(msg.str(), CONTINUE);
}
else
{
@ -1574,7 +1577,7 @@ cxxSolution::modify_activities(PHREEQC_PTR_ARG_COMMA const cxxSolution & origina
}
else
{
P_INSTANCE_POINTER error_msg("Could not find master species in modify_activities.", STOP);
error_msg("Could not find master species in modify_activities.", STOP);
}
}
}
@ -1607,7 +1610,7 @@ cxxSolution::modify_activities(PHREEQC_PTR_ARG_COMMA const cxxSolution & origina
}
else
{
P_INSTANCE_POINTER error_msg("Could not find master species in modify_activities.", STOP);
error_msg("Could not find master species in modify_activities.", STOP);
}
}
}

2
Solution.h
View File

@ -20,7 +20,7 @@ class cxxSolution:public cxxNumKeyword
cxxSolution(PHRQ_io *io=NULL);
cxxSolution(struct solution *, PHRQ_io *io=NULL);
cxxSolution(PHREEQC_PTR_ARG_COMMA int n_user, PHRQ_io *io=NULL);
cxxSolution(PHREEQC_PTR_ARG_COMMA const std::map < int, cxxSolution > &solution_map,
cxxSolution( const std::map < int, cxxSolution > &solution_map,
cxxMix & mx, int n_user, PHRQ_io *io=NULL);
~cxxSolution();

4
StorageBin.cxx
View File

@ -133,7 +133,7 @@ PHRQ_base(io)
cxxMix entity(struct_entity, this->Get_io());
this->setMix(use_ptr->n_mix_user, &entity);
std::map<int, double> c = *(this->getMix(use_ptr->n_mix_user)->comps());
std::map<int, double> c = (this->getMix(use_ptr->n_mix_user)->Get_mixComps());
std::map<int, double>::iterator it;
for (it = c.begin(); it != c.end(); it++)
{
@ -1008,7 +1008,7 @@ cxxStorageBin::cxxStorageBin2phreeqc(PHREEQC_PTR_ARG_COMMA int n)
}
else
{
P_INSTANCE_POINTER error_msg("cxxSolution not found in system2phreeqc", STOP);
error_msg("cxxSolution not found in system2phreeqc", STOP);
}
}

6
Surface.cxx
View File

@ -99,9 +99,9 @@ cxxNumKeyword(io)
//
// Mix exchangers
//
std::map < int, double >*mixcomps = mix.comps();
std::map < int, double >&mixcomps = mix.Get_mixComps();
std::map < int, double >::const_iterator it;
for (it = mixcomps->begin(); it != mixcomps->end(); it++)
for (it = mixcomps.begin(); it != mixcomps.end(); it++)
{
if (entities.find(it->first) != entities.end())
{
@ -1009,7 +1009,7 @@ cxxSurface::add(PHREEQC_PTR_ARG_COMMA const cxxSurface & addee, double extensive
std::map < std::string, cxxSurfaceComp >::iterator it = this->surfaceComps.find((*itadd).first);
if (it != this->surfaceComps.end())
{
(*it).second.add(P_INSTANCE_COMMA (*itadd).second, extensive);
(*it).second.add((*itadd).second, extensive);
}
else
{

18
SurfaceComp.cxx
View File

@ -85,7 +85,7 @@ struct master *
error_oss << "Master species not in data base for " << elt_ptr->
name << std::endl;
//Utilities::error_msg(error_oss.str(), CONTINUE);
P_INSTANCE_POINTER error_msg(error_oss.str().c_str(), CONTINUE);
error_msg(error_oss.str().c_str(), CONTINUE);
return (NULL);
}
if (elt_ptr->master->type != SURF)
@ -100,7 +100,7 @@ struct master *
"Surface formula does not contain an surface master species, " <<
this->formula << std::endl;
//Utilities::error_msg(error_oss.str(), CONTINUE);
P_INSTANCE_POINTER error_msg(error_oss.str().c_str(), CONTINUE);
error_msg(error_oss.str().c_str(), CONTINUE);
}
return (master_ptr);
}
@ -550,7 +550,7 @@ cxxSurfaceComp::mpi_unpack(int *ints, int *ii, double *doubles, int *dd)
}
#endif
void
cxxSurfaceComp::add(PHREEQC_PTR_ARG_COMMA const cxxSurfaceComp & addee, double extensive)
cxxSurfaceComp::add(const cxxSurfaceComp & addee, double extensive)
{
if (extensive == 0.0)
return;
@ -605,8 +605,8 @@ cxxSurfaceComp::add(PHREEQC_PTR_ARG_COMMA const cxxSurfaceComp & addee, double e
oss <<
"Can not mix two Surface components with same formula and different related phases, "
<< this->formula;
P_INSTANCE_POINTER error_msg(oss.str().c_str(), CONTINUE);
P_INSTANCE_POINTER input_error++;
error_msg(oss.str().c_str(), CONTINUE);
//P_INSTANCE_POINTER input_error++;
return;
}
else if (this->phase_name.size() != 0)
@ -622,8 +622,8 @@ cxxSurfaceComp::add(PHREEQC_PTR_ARG_COMMA const cxxSurfaceComp & addee, double e
oss <<
"Can not mix two exchange components with same formula and different related kinetics, "
<< this->formula;
P_INSTANCE_POINTER error_msg(oss.str().c_str(), CONTINUE);
P_INSTANCE_POINTER input_error++;
error_msg(oss.str().c_str(), CONTINUE);
//P_INSTANCE_POINTER input_error++;
return;
}
else if (this->rate_name.size() != 0)
@ -639,8 +639,8 @@ cxxSurfaceComp::add(PHREEQC_PTR_ARG_COMMA const cxxSurfaceComp & addee, double e
oss <<
"Can not mix exchange components related to phase with exchange components related to kinetics, "
<< this->formula;
P_INSTANCE_POINTER error_msg(oss.str().c_str(), CONTINUE);
P_INSTANCE_POINTER input_error++;
error_msg(oss.str().c_str(), CONTINUE);
//P_INSTANCE_POINTER input_error++;
return;
}
//double Dw;

2
SurfaceComp.h
View File

@ -32,7 +32,7 @@ public:
void dump_raw(std::ostream & s_oss, unsigned int indent) const;
void read_raw(CParser & parser, bool check = true);
const cxxNameDouble & get_totals() const;
void add(PHREEQC_PTR_ARG_COMMA const cxxSurfaceComp & comp, double extensive);
void add(const cxxSurfaceComp & comp, double extensive);
void multiply(double extensive);
std::string charge_name(PHREEQC_PTR_ARG);
static std::string get_charge_name(PHREEQC_PTR_ARG_COMMA char *token);

4
cxxKinetics.cxx
View File

@ -100,9 +100,9 @@ cxxNumKeyword(io)
//
// Mix
//
std::map < int, double >*mixcomps = mix.comps();
std::map < int, double >&mixcomps = mix.Get_mixComps();
std::map < int, double >::const_iterator it;
for (it = mixcomps->begin(); it != mixcomps->end(); it++)
for (it = mixcomps.begin(); it != mixcomps.end(); it++)
{
if (entities.find(it->first) != entities.end())
{

3
cxxMix.cxx
View File

@ -59,7 +59,7 @@ cxxMix::~cxxMix()
{
}
#ifdef MOVE_TO_STRUCTURES
struct mix *
cxxMix::cxxMix2mix(PHREEQC_PTR_ARG)
//
@ -97,6 +97,7 @@ cxxMix::cxxMix2mix(PHREEQC_PTR_ARG)
mix_ptr->count_comps = (int) this->mixComps.size();
return (mix_ptr);
}
#endif
#ifdef SKIP
void

6
cxxMix.h
View File

@ -18,7 +18,7 @@ class cxxMix:public cxxNumKeyword
cxxMix(struct mix *, PHRQ_io *io=NULL);
~cxxMix();
struct mix *cxxMix2mix(PHREEQC_PTR_ARG);
//struct mix *cxxMix2mix(PHREEQC_PTR_ARG);
//void dump_xml(std::ostream& os, unsigned int indent = 0)const;
@ -46,9 +46,9 @@ class cxxMix:public cxxNumKeyword
}
};
std::map < int, double >*comps()
std::map < int, double > & Get_mixComps()
{
return &mixComps;
return mixComps;
}
protected: