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iphreeqc/phreeqcpp/SScomp.cxx

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// SScomp.cxx: implementation of the cxxSScomp class.
//
//////////////////////////////////////////////////////////////////////
#ifdef _DEBUG
#pragma warning(disable : 4786) // disable truncation warning (Only used by debugger)
#endif
#include <cassert> // assert
#include <algorithm> // std::sort
#include "Utils.h" // define first
#include "Phreeqc.h"
#include "SScomp.h"
#include "phqalloc.h"
#include "Dictionary.h"
#if defined(PHREEQCI_GUI)
#ifdef _DEBUG
#define new DEBUG_NEW
#undef THIS_FILE
static char THIS_FILE[] = __FILE__;
#endif
#endif
//////////////////////////////////////////////////////////////////////
// Construction/Destruction
//////////////////////////////////////////////////////////////////////
cxxSScomp::cxxSScomp(PHRQ_io *io)
:
PHRQ_base(io)
//
// default constructor for cxxSScomp
//
{
name = "";
initial_moles = 0;
moles = 0;
init_moles = 0;
delta = 0;
fraction_x = 0;
log10_lambda = 0;
log10_fraction_x = 0;
dn = 0;
dnc = 0;
dnb = 0;
}
cxxSScomp::~cxxSScomp()
{
}
void
cxxSScomp::dump_raw(std::ostream & s_oss, unsigned int indent) const
{
unsigned int i;
s_oss.precision(DBL_DIG - 1);
std::string indent0(""), indent1(""), indent2("");
for (i = 0; i < indent; ++i)
indent0.append(Utilities::INDENT);
for (i = 0; i < indent + 1; ++i)
indent1.append(Utilities::INDENT);
for (i = 0; i < indent + 2; ++i)
indent2.append(Utilities::INDENT);
s_oss << indent1 << "# SOLID_SOLUTION_MODIFY candidate identifiers #\n";
s_oss << indent1 << "-moles " << this->moles << "\n";
s_oss << indent1 << "# Solid solution workspace variables #\n";
s_oss << indent1 << "-initial_moles " << this->initial_moles << "\n";
s_oss << indent1 << "-init_moles " << this->init_moles << "\n";
s_oss << indent1 << "-delta " << this->delta << "\n";
s_oss << indent1 << "-fraction_x " << this->fraction_x << "\n";
s_oss << indent1 << "-log10_lambda " << this->log10_lambda << "\n";
s_oss << indent1 << "-log10_fraction_x " << this->log10_fraction_x << "\n";
s_oss << indent1 << "-dn " << this->dn << "\n";
s_oss << indent1 << "-dnc " << this->dnc << "\n";
s_oss << indent1 << "-dnb " << this->dnb << "\n";
}
void
cxxSScomp::read_raw(CParser & parser, bool check)
{
std::string str;
std::istream::pos_type ptr;
std::istream::pos_type next_char;
std::string token;
int opt_save;
opt_save = CParser::OPT_ERROR;
bool initial_moles_defined(false);
bool moles_defined(false);
for (;;)
{
int opt = parser.get_option(vopts, next_char);
if (opt == CParser::OPT_DEFAULT)
{
opt = opt_save;
}
switch (opt)
{
case CParser::OPT_EOF:
break;
case CParser::OPT_KEYWORD:
break;
case CParser::OPT_DEFAULT:
case CParser::OPT_ERROR:
opt = CParser::OPT_KEYWORD;
// Allow return to Exchange for more processing
break;
case 0: // name
parser.error_msg("-Name ignored. Define with -component.");
break;
case 1: // initial_moles
if (!(parser.get_iss() >> this->initial_moles))
{
this->initial_moles = 0;
parser.incr_input_error();
parser.error_msg("Expected numeric value for initial_moles.",
PHRQ_io::OT_CONTINUE);
}
initial_moles_defined = true;
break;
case 2: // moles
if (!(parser.get_iss() >> this->moles))
{
this->moles = 0;
parser.incr_input_error();
parser.error_msg("Expected numeric value for moles.",
PHRQ_io::OT_CONTINUE);
}
moles_defined = true;
break;
case 3: // init_moles
if (!(parser.get_iss() >> this->init_moles))
{
this->init_moles = 0;
parser.incr_input_error();
parser.error_msg("Expected numeric value for init_moles.",
PHRQ_io::OT_CONTINUE);
}
break;
case 4: // delta
if (!(parser.get_iss() >> this->delta))
{
this->delta = 0;
parser.incr_input_error();
parser.error_msg("Expected numeric value for delta.",
PHRQ_io::OT_CONTINUE);
}
break;
case 5: // fraction_x
if (!(parser.get_iss() >> this->fraction_x))
{
this->fraction_x = 0;
parser.incr_input_error();
parser.error_msg("Expected numeric value for fraction_x.",
PHRQ_io::OT_CONTINUE);
}
break;
case 6: // log10_lambda
if (!(parser.get_iss() >> this->log10_lambda))
{
this->log10_lambda = 0;
parser.incr_input_error();
parser.error_msg("Expected boolean value for log10_lambda.",
PHRQ_io::OT_CONTINUE);
}
break;
case 7: // log10_fraction_x
if (!(parser.get_iss() >> this->log10_fraction_x))
{
this->log10_fraction_x = 0;
parser.incr_input_error();
parser.error_msg("Expected boolean value for log10_fraction_x.",
PHRQ_io::OT_CONTINUE);
}
break;
case 8: // dn
if (!(parser.get_iss() >> this->dn))
{
this->dn = 0;
parser.incr_input_error();
parser.error_msg("Expected boolean value for dn.",
PHRQ_io::OT_CONTINUE);
}
break;
case 9: // dnc
if (!(parser.get_iss() >> this->dnc))
{
this->dnc = 0;
parser.incr_input_error();
parser.error_msg("Expected numeric value for dnc.",
PHRQ_io::OT_CONTINUE);
}
break;
case 10: // dnb
if (!(parser.get_iss() >> this->dnb))
{
this->dnb = 0;
parser.incr_input_error();
parser.error_msg("Expected numeric value for dnb.",
PHRQ_io::OT_CONTINUE);
}
break;
}
if (opt == CParser::OPT_EOF || opt == CParser::OPT_KEYWORD)
break;
}
// members that must be defined
if (check)
{
if (moles_defined == false)
{
parser.incr_input_error();
parser.error_msg("Moles not defined for PPassemblageComp input.",
PHRQ_io::OT_CONTINUE);
}
if (initial_moles_defined == false)
{
parser.incr_input_error();
parser.error_msg("Initial_moles not defined for PPassemblageComp input.",
PHRQ_io::OT_CONTINUE);
}
}
}
void
cxxSScomp::multiply(LDBLE extensive)
{
this->moles *= extensive;
this->delta *= extensive;
this->initial_moles *= extensive;
}
void
cxxSScomp::Serialize(Dictionary & dictionary, std::vector < int >&ints,
std::vector < double >&doubles)
{
ints.push_back(dictionary.Find(this->name));
doubles.push_back(this->moles);
doubles.push_back(this->initial_moles);
doubles.push_back(this->init_moles);
doubles.push_back(this->delta);
doubles.push_back(this->fraction_x);
doubles.push_back(this->log10_lambda);
doubles.push_back(this->log10_fraction_x);
doubles.push_back(this->dn);
doubles.push_back(this->dnc);
doubles.push_back(this->dnb);
}
void
cxxSScomp::Deserialize(Dictionary & dictionary, std::vector < int >&ints,
std::vector < double >&doubles, int &ii, int &dd)
{
this->name = dictionary.GetWords()[ints[ii++]];
this->moles = doubles[dd++];
this->initial_moles = doubles[dd++];
this->init_moles = doubles[dd++];
this->delta = doubles[dd++];
this->fraction_x = doubles[dd++];
this->log10_lambda = doubles[dd++];
this->log10_fraction_x = doubles[dd++];
this->dn = doubles[dd++];
this->dnc = doubles[dd++];
this->dnb = doubles[dd++];
}
const std::vector< std::string >::value_type temp_vopts[] = {
std::vector< std::string >::value_type("name"), // 0
std::vector< std::string >::value_type("initial_moles"), // 1
std::vector< std::string >::value_type("moles"), // 2
std::vector< std::string >::value_type("init_moles"), // 3
std::vector< std::string >::value_type("delta"), // 4
std::vector< std::string >::value_type("fraction_x"), // 5
std::vector< std::string >::value_type("log10_lambda"), // 6
std::vector< std::string >::value_type("log10_fraction_x"), // 7
std::vector< std::string >::value_type("dn"), // 8
std::vector< std::string >::value_type("dnc"), // 9
std::vector< std::string >::value_type("dnb") // 10
};
const std::vector< std::string > cxxSScomp::vopts(temp_vopts, temp_vopts + sizeof temp_vopts / sizeof temp_vopts[0]);
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