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Database.cpp
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// Database.cpp: implementation of the CDatabase class.
//
// $Id$
//////////////////////////////////////////////////////////////////////
#include "stdafx.h"
#include "phreeqci2.h"
#include "Database.h"
#include "SeException.h"
#include "phreeqc3/src/SSassemblage.h"
#ifdef _DEBUG
#undef THIS_FILE
static char THIS_FILE[]=__FILE__;
#define new DEBUG_NEW
#endif
//////////////////////////////////////////////////////////////////////
// Construction/Destruction
//////////////////////////////////////////////////////////////////////
CDatabase::CDatabase() : m_pFile(NULL)
{
}
CDatabase::CDatabase(const CDatabase& rDatabase)
{
m_pFile = NULL;
m_strPathName = rDatabase.m_strPathName;
if (rDatabase.m_pFile != NULL)
{
DenyWrite();
}
// don't load before using a copy ctor
ASSERT(rDatabase.m_elementSet.empty());
ASSERT(rDatabase.m_meanGammasSet.empty());
ASSERT(rDatabase.m_phaseSet.empty());
ASSERT(rDatabase.m_rateSet.empty());
ASSERT(rDatabase.m_rateHermanskaSet.empty());
ASSERT(rDatabase.m_ratePKSet.empty());
ASSERT(rDatabase.m_rateSVDSet.empty());
ASSERT(rDatabase.m_redoxSet.empty());
ASSERT(rDatabase.m_speciesSet.empty());
ASSERT(rDatabase.m_speciesAqSet.empty());
ASSERT(rDatabase.m_speciesAqCationSet.empty());
ASSERT(rDatabase.m_speciesAqAnionSet.empty());
ASSERT(rDatabase.m_speciesAqNeutralSet.empty());
ASSERT(rDatabase.m_speciesExSet.empty());
ASSERT(rDatabase.m_speciesSurfSet.empty());
ASSERT(m_elementSet.empty());
ASSERT(m_meanGammasSet.empty());
ASSERT(m_phaseSet.empty());
ASSERT(m_rateSet.empty());
ASSERT(m_rateHermanskaSet.empty());
ASSERT(m_ratePKSet.empty());
ASSERT(m_rateSVDSet.empty());
ASSERT(m_redoxSet.empty());
ASSERT(m_speciesSet.empty());
ASSERT(m_speciesAqSet.empty());
ASSERT(m_speciesAqCationSet.empty());
ASSERT(m_speciesAqAnionSet.empty());
ASSERT(m_speciesAqNeutralSet.empty());
ASSERT(m_speciesExSet.empty());
ASSERT(m_speciesSurfSet.empty());
}
CDatabase::~CDatabase()
{
if (m_pFile)
{
ASSERT(!m_strPathName.IsEmpty());
delete m_pFile;
}
}
BOOL CDatabase::Load(LPCTSTR lpszPathName)
{
CLoader3 loader(lpszPathName);
ASSERT(m_elementSet.empty());
ASSERT(m_meanGammasSet.empty());
ASSERT(m_phaseSet.empty());
ASSERT(m_rateSet.empty());
ASSERT(m_redoxSet.empty());
ASSERT(m_solidSolutionSet.empty());
ASSERT(m_speciesSet.empty());
ASSERT(m_speciesAqSet.empty());
ASSERT(m_speciesAqCationSet.empty());
ASSERT(m_speciesAqAnionSet.empty());
ASSERT(m_speciesAqNeutralSet.empty());
ASSERT(m_speciesExSet.empty());
ASSERT(m_speciesSurfSet.empty());
#ifdef SAVE_OLD_IO
CopyPhreeqcStructs();
#else
loader.CopyPhreeqcStructs(this);
#endif
ASSERT(m_strPathName.IsEmpty());
m_strPathName = lpszPathName;
// VERIFY(DenyWrite());
return TRUE;
}
BOOL CDatabase::Load(CRichEditCtrl* pRichEditCtrl, int nSimulation)
{
CLoader3 loader(pRichEditCtrl, nSimulation);
// clear all sets before CopyPhreeqcStructs
m_elementSet.clear();
m_meanGammasSet.clear();
m_phaseSet.clear();
m_rateSet.clear();
m_redoxSet.clear();
m_solidSolutionSet.clear();
m_speciesSet.clear();
m_speciesAqSet.clear();
m_speciesAqCationSet.clear();
m_speciesAqAnionSet.clear();
m_speciesAqNeutralSet.clear();
m_speciesExSet.clear();
m_speciesSurfSet.clear();
m_namedExpSet.clear();
m_calcValSet.clear();
#ifdef SAVE_OLD_IO
CopyPhreeqcStructs();
#else
loader.CopyPhreeqcStructs(this);
#endif
return TRUE;
}
void CDatabase::CopyPhreeqcStructs()
{
#ifdef SAVE_OLD_IO
/* list_all_elements */
ASSERT(m_elementSet.empty());
struct element** elemIter;
for ( elemIter = elements; elemIter < elements + count_elements; ++elemIter )
{
if ( (*elemIter)->master != NULL )
{
m_elementSet.insert(m_elementSet.end(), *elemIter);
}
}
/* list_phases */
ASSERT(m_phaseSet.empty());
struct phase** phaseIter;
for (phaseIter = phases; phaseIter < phases + count_phases; ++phaseIter)
{
if ((*phaseIter)->type != SOLID)
continue;
m_phaseSet.insert(m_phaseSet.end(), *phaseIter);
}
/* list_rates */
ASSERT(m_rateSet.empty());
struct rate* rateIter;
for (rateIter = rates; rateIter < rates + count_rates; ++rateIter)
{
m_rateSet.insert(rateIter);
}
// list_redox
int i, j, k;
CString str;
ASSERT(m_redoxSet.empty());
for (i = 0; i < count_master; ++i)
{
if(master[i]->primary == TRUE)
{
for (j = i + 1; j < count_master; ++j)
{
if ( master[j]->primary == TRUE ) break;
for ( k = j + 1; k < count_master; ++k)
{
if ( master[k]->primary == TRUE ) break;
if ( master[j]->elt == NULL ) break;
str.Format(_T("%s/%s"), master[j]->elt->name, master[k]->elt->name);
m_redoxSet.insert(m_redoxSet.end(), (LPCTSTR)str);
}
}
}
}
m_redoxSet.insert(m_redoxSet.begin(), _T("pe"));
// list_species
ASSERT(m_speciesSet.empty());
ASSERT(m_speciesAqSet.empty());
ASSERT(m_speciesExSet.empty());
ASSERT(m_speciesSurfSet.empty());
struct species** specIter;
for (specIter = s; specIter < s + count_s; ++specIter)
{
m_speciesSet.insert(m_speciesSet.end(), *specIter);
if ((*specIter)->type == AQ)
{
m_speciesAqSet.insert(m_speciesAqSet.end(), *specIter);
if ((*specIter)->z > 0)
{
m_speciesAqCationSet.insert(m_speciesAqCationSet.end(), *specIter);
}
else if ((*specIter)->z < 0)
{
m_speciesAqAnionSet.insert(m_speciesAqAnionSet.end(), *specIter);
}
else
{
m_speciesAqNeutralSet.insert(m_speciesAqNeutralSet.end(), *specIter);
}
}
if ((*specIter)->type == EX
&&
(*specIter)->primary == NULL)
{
m_speciesExSet.insert(m_speciesExSet.end(), *specIter);
}
if ((*specIter)->type == SURF
&&
(*specIter)->primary == NULL)
{
m_speciesSurfSet.insert(m_speciesSurfSet.end(), *specIter);
}
}
ASSERT(m_solidSolutionSet.empty());
struct s_s_assemblage* s_s_assembIter;
for (s_s_assembIter = s_s_assemblage; s_s_assembIter < s_s_assemblage + count_s_s_assemblage; ++s_s_assembIter)
{
struct s_s *s_sIter = s_s_assembIter->s_s;
for (; s_sIter < s_s_assembIter->s_s + s_s_assembIter->count_s_s; ++s_sIter)
{
m_solidSolutionSet.insert(s_sIter);
}
}
//{{
// EXTERNAL struct kinetics *kinetics;
// EXTERNAL int count_kinetics;
//}}
// NAMED_EXPRESSIONS
ASSERT(m_namedExpSet.empty());
for (i = 1; i < count_logk; ++i)
{
m_namedExpSet.insert(logk[i]);
}
// CALCULATE_VALUES
ASSERT(m_calcValSet.empty());
for (i = 0; i < count_calculate_value; ++i)
{
m_calcValSet.insert(calculate_value[i]);
}
#endif // SAVE_OLD_IO
}
void CDatabase::Merge(const CDatabase& rDatabase)
{
// Note: (*this) should be the database contained within
// the input file. std::set doesn't allow duplicates
// and will therefore not replace an object it already
// contains
merge_set(m_elementSet, rDatabase.m_elementSet);
merge_set(m_meanGammasSet, rDatabase.m_meanGammasSet);
merge_set(m_phaseSet, rDatabase.m_phaseSet);
merge_set(m_rateSet, rDatabase.m_rateSet);
merge_set(m_rateHermanskaSet, rDatabase.m_rateHermanskaSet);
merge_set(m_ratePKSet, rDatabase.m_ratePKSet);
merge_set(m_rateSVDSet, rDatabase.m_rateSVDSet);
merge_set(m_redoxSet, rDatabase.m_redoxSet);
merge_set(m_speciesSet, rDatabase.m_speciesSet);
merge_set(m_speciesAqSet, rDatabase.m_speciesAqSet);
merge_set(m_speciesAqCationSet, rDatabase.m_speciesAqCationSet);
merge_set(m_speciesAqAnionSet, rDatabase.m_speciesAqAnionSet);
merge_set(m_speciesAqNeutralSet, rDatabase.m_speciesAqNeutralSet);
merge_set(m_speciesExSet, rDatabase.m_speciesExSet);
merge_set(m_speciesSurfSet, rDatabase.m_speciesSurfSet);
merge_set(m_solidSolutionSet, rDatabase.m_solidSolutionSet);
merge_set(m_namedExpSet, rDatabase.m_namedExpSet);
merge_set(m_calcValSet, rDatabase.m_calcValSet);
}
BOOL CDatabase::DenyWrite()
{
BOOL bOK = FALSE;
if (!m_strPathName.IsEmpty())
{
try
{
if (m_pFile == NULL)
{
m_pFile = new CFile(m_strPathName, CFile::modeRead | CFile::shareDenyWrite);
}
bOK = TRUE;
}
catch (CFileException* pEx)
{
ASSERT(FALSE);
ASSERT(m_pFile == NULL);
m_pFile = NULL;
TCHAR szCause[255];
CString strFormatted;
pEx->GetErrorMessage(szCause, 255);
strFormatted = _T("The data file could not be opened because of this error: ");
strFormatted += szCause;
TRACE(strFormatted);
bOK = FALSE;
}
}
return bOK;
}
#if defined(SAVE)
//////////////////////////////////////////////////////////////////////
// CLoader Class
//////////////////////////////////////////////////////////////////////
//////////////////////////////////////////////////////////////////////
// Construction/Destruction
//////////////////////////////////////////////////////////////////////
CDatabase::CLoader::CLoader(LPCTSTR lpszFileName)
{
ASSERT(FALSE); // DEPRECATED
m_pLineParser = NULL;
m_pLogicalLineParser = NULL;
m_pPhreeqcCallback = NULL;
// Create parser
m_pLineParser = new CStdioFileLineParser(lpszFileName);
m_pLogicalLineParser = new CLogicalLineParser(*m_pLineParser);
CCookie cookie(*m_pLogicalLineParser);
GUICALLBACK gui = {(DWORD)&cookie, LineCallBack, NULL/*ErrorCallBack*/, NULL/*WarnCallBack*/};
m_pPhreeqcCallback = new CPhreeqcCallback(gui);
// let phreeqc do the work
m_pPhreeqcCallback->Go(load_database);
}
CDatabase::CLoader::CLoader(CRichEditCtrl* pRichEditCtrl, int nSimulation)
{
ASSERT(FALSE); // DEPRECATED
m_pLineParser = NULL;
m_pLogicalLineParser = NULL;
m_pPhreeqcCallback = NULL;
// Create parser
CRichEditLineParser* pRichEditLineParser = new CRichEditLineParser(pRichEditCtrl);
m_pLineParser = pRichEditLineParser;
m_pLogicalLineParser = new CRichLogicalLineParser(*pRichEditLineParser);
CCookie cookie(*m_pLogicalLineParser);
GUICALLBACK gui = {(DWORD)&cookie, LineCallBack, NULL/*ErrorCallBack*/, NULL/*WarnCallBack*/};
m_pPhreeqcCallback = new CPhreeqcCallback(gui);
// let phreeqc do the work
m_pPhreeqcCallback->Go(load_database_local, nSimulation);
}
CDatabase::CLoader::~CLoader()
{
// do phreeqc clean_up;
clean_up();
// delete pointers created with new
if (m_pPhreeqcCallback)
{
delete m_pPhreeqcCallback;
}
if (m_pLogicalLineParser)
{
delete m_pLogicalLineParser;
}
if (m_pLineParser)
{
delete m_pLineParser;
}
}
//
//
//
// returns TRUE if line was copied successfully
// FALSE if a larger buffer is required
// pcb contains the required buffer size
BOOL CALLBACK CDatabase::CLoader::LineCallBack(DWORD dwCookie, LPBYTE pbBuff, LONG cb, LONG *pcb)
{
ASSERT(FALSE); // DEPRECATED
static CString strLine;
CDatabase::CLoader::CCookie* pCookie = (CDatabase::CLoader::CCookie*) dwCookie;
// strLine.IsEmpty() == FALSE signifies that the last call returned FALSE
// and the strLine has not been copied yet
if (!strLine.IsEmpty() || pCookie->m_rLogicalLineParser.GetNextLine(strLine))
{
*pcb = strLine.GetLength() + 1; // GetLength does not include NULL terminator
if (*pcb <= cb)
{
strncpy((LPSTR)pbBuff, (LPCSTR)strLine, *pcb);
strLine = &afxChNil; // empty string without deallocating
}
else
{
return FALSE;
}
}
else
{
strLine.Empty(); // empty string and deallocate
*pcb = 0; // EOF
}
return TRUE;
}
//////////////////////////////////////////////////////////////////////
// CCookie Class
//////////////////////////////////////////////////////////////////////
//////////////////////////////////////////////////////////////////////
// Construction/Destruction
//////////////////////////////////////////////////////////////////////
CDatabase::CLoader::CCookie::CCookie(CLogicalLineParser& rLogicalLineParser)
: m_rLogicalLineParser(rLogicalLineParser)
{
ASSERT(FALSE); // DEPRECATED
}
CDatabase::CLoader::CCookie::~CCookie()
{
}
#endif // SAVE
CString CDatabase::GetPathName() const
{
return m_strPathName;
}
//////////////////////////////////////////////////////////////////////
// CLoader2 Class
//////////////////////////////////////////////////////////////////////
//////////////////////////////////////////////////////////////////////
// Construction/Destruction
//////////////////////////////////////////////////////////////////////
CDatabase::CLoader2::CLoader2(LPCTSTR lpszFileName)
: m_pRichEditCtrl(0)
{
CString strMessage;
#ifdef SAVE_EXPAND_ENVIR
TCHAR infoBuf[32767];
DWORD bufCharCount = 32767;
bufCharCount = ExpandEnvironmentStrings(lpszFileName, infoBuf, 32767);
#endif
m_inputFile.Open(lpszFileName, CFile::modeRead|CFile::shareDenyWrite);
if (this->m_inputFile.m_pStream)
{
#ifdef SAVE_OLD_IO
DWORD i = ::load_database2(this, ReadCallBack, WriteCallBack);
switch (i) {
case EXCEPTION_ACCESS_VIOLATION:
strMessage += "Warning: An unexpected error occured while loading the database file:\n";
strMessage += lpszFileName;
strMessage += ".";
::AfxMessageBox(strMessage, MB_OK|MB_ICONEXCLAMATION);
break;
case INPUT_CONTAINS_ERRORS:
strMessage += "Warning: The database file:\n";
strMessage += lpszFileName;
strMessage += ",\n contains errors:\n";
strMessage += this->m_strAll;
::AfxMessageBox(strMessage, MB_OK|MB_ICONEXCLAMATION);
break;
}
#endif // SAVE_OLD_IO
}
else
{
strMessage += "Warning: Unable to open the following database file:\n";
strMessage += lpszFileName;
strMessage += ".";
::AfxMessageBox(strMessage, MB_OK|MB_ICONEXCLAMATION);
}
}
CDatabase::CLoader2::CLoader2(CRichEditCtrl* pRichEditCtrl, int nSimulation)
{
UNREFERENCED_PARAMETER(nSimulation);
CString strMessage;
if (pRichEditCtrl == NULL) return;
this->m_pRichEditCtrl = pRichEditCtrl;
this->m_tr.chrg.cpMin = 0;
this->m_nTextLength = this->m_pRichEditCtrl->GetTextLength();
if (this->m_pRichEditCtrl)
{
#ifdef SAVE_OLD_IO
DWORD i = ::load_database_local2(this, ReadCallBack, WriteCallBack, nSimulation);
#else
DWORD i = 0;
#endif
switch (i) {
case EXCEPTION_ACCESS_VIOLATION:
ASSERT(FALSE);
// ignore for now
break;
case INPUT_CONTAINS_ERRORS:
ASSERT(FALSE);
// ignore for now
break;
}
}
}
CDatabase::CLoader2::~CLoader2()
{
#ifdef SAVE_OLD_IO
::clean_up();
#endif
}
int CDatabase::CLoader2::ReadCallBack(void *cookie)
{
ASSERT(cookie);
CLoader2* pThis = (CLoader2*)cookie;
if (pThis->m_inputFile.m_pStream)
{
return ::getc(pThis->m_inputFile.m_pStream);
}
else if (pThis->m_pRichEditCtrl)
{
static char buffer[8];
static long nChars;
pThis->m_tr.chrg.cpMax = min(pThis->m_tr.chrg.cpMin + 2, pThis->m_nTextLength);
ASSERT((pThis->m_tr.chrg.cpMax - pThis->m_tr.chrg.cpMin) < 8);
if (pThis->m_tr.chrg.cpMin < pThis->m_tr.chrg.cpMax)
{
pThis->m_tr.lpstrText = buffer;
nChars = pThis->m_pRichEditCtrl->SendMessage(EM_GETTEXTRANGE, 0, (LPARAM)&pThis->m_tr);
#if _MSC_VER < 1400
ASSERT(nChars == 2 || nChars == 1);
if (nChars == 2 || nChars == 1)
{
++pThis->m_tr.chrg.cpMin;
if (buffer[0] == '\r' && buffer[1] == '\n') {
++pThis->m_tr.chrg.cpMin;
return '\n';
}
return buffer[0];
}
#else
ASSERT(nChars == 2 || nChars == 1 || nChars == 0);
if (nChars == 2 || nChars == 1)
{
++pThis->m_tr.chrg.cpMin;
if (buffer[0] == '\r')
{
if (buffer[1] == '\n')
{
++pThis->m_tr.chrg.cpMin;
}
buffer[0] = '\n';
}
return buffer[0];
}
#endif
}
}
return EOF;
}
int CDatabase::CLoader2::WriteCallBack(const int action, const int type, const char *err_str, const int stop, void *cookie, const char *format, va_list args)
{
#ifdef _DEBUG
const size_t length = 500;
static char buffer[length];
#else
UNREFERENCED_PARAMETER(action);
UNREFERENCED_PARAMETER(type);
UNREFERENCED_PARAMETER(err_str);
UNREFERENCED_PARAMETER(stop);
UNREFERENCED_PARAMETER(format);
UNREFERENCED_PARAMETER(args);
UNREFERENCED_PARAMETER(cookie);
#endif
#ifdef SAVE_OLD_IO
CLoader2* pThis = (CLoader2*)cookie;
if (action == ACTION_OUTPUT)
{
switch (type)
{
case OUTPUT_ERROR:
case OUTPUT_WARNING:
pThis->m_strErr += err_str;
pThis->m_strErr += "\n";
pThis->m_strAll += err_str;
pThis->m_strAll += "\n";
break;
default:
#ifdef _DEBUG
::_vsntprintf(buffer, length, format, args);
::OutputDebugString(buffer);
#endif
break;
}
if (stop == STOP) {
::OutputDebugString("An error occured reading the database:\n");
::RaiseException(INPUT_CONTAINS_ERRORS, 0, 0, NULL);
}
}
#endif // SAVE_OLD_IO
return 0;
}
//////////////////////////////////////////////////////////////////////
// CLoader3 Class
//////////////////////////////////////////////////////////////////////
//////////////////////////////////////////////////////////////////////
// Construction/Destruction
//////////////////////////////////////////////////////////////////////
CDatabase::CLoader3::CLoader3(LPCTSTR lpszFileName)
: RichEditCtrl(0)
{
CString strMessage;
//m_inputFile.Open(lpszFileName, CFile::modeRead|CFile::shareDenyWrite);
this->ifs.open(lpszFileName);
// COMMENT: {2/23/2012 10:57:44 PM} if (this->m_inputFile.m_pStream)
if (this->ifs.is_open())
{
try
{
//{{
this->push_istream(&this->ifs, false);
//}}
ASSERT(this->input_error == 0);
ASSERT(this->phast == FALSE);
///this->do_initialize();
this->read_database();
}
catch(DWORD dw)
{
switch (dw)
{
case EXCEPTION_ACCESS_VIOLATION:
strMessage += "Warning: An unexpected error occured while loading the database file:\n";
strMessage += lpszFileName;
strMessage += ".";
::AfxMessageBox(strMessage, MB_OK|MB_ICONEXCLAMATION);
break;
case INPUT_CONTAINS_ERRORS:
strMessage += "Warning: The database file:\n";
strMessage += lpszFileName;
strMessage += ",\n contains errors:\n";
strMessage += this->m_strAll;
::AfxMessageBox(strMessage, MB_OK|MB_ICONEXCLAMATION);
break;
default:
ASSERT(FALSE);
break;
}
}
catch (...)
{
ASSERT(FALSE);
}
}
else
{
strMessage += "Warning: Unable to open the following database file:\n";
strMessage += lpszFileName;
strMessage += ".";
::AfxMessageBox(strMessage, MB_OK|MB_ICONEXCLAMATION);
}
}
CDatabase::CLoader3::CLoader3(CRichEditCtrl* pRichEditCtrl, int nSimulation)
{
CString strMessage;
if (pRichEditCtrl == NULL) return;
this->RichEditCtrl = pRichEditCtrl;
this->m_tr.chrg.cpMin = 0;
this->m_nTextLength = this->RichEditCtrl->GetTextLength();
if (this->RichEditCtrl)
{
try
{
ASSERT(this->input_error == 0);
this->push_istream((std::istream*)this->RichEditCtrl, false);
ASSERT(this->phast == FALSE);
for (this->simulation = 1; this->simulation <= nSimulation; ++this->simulation)
{
if (this->read_input() == EOF) break;
this->tidy_model_gui();
}
this->tidy_model_gui();
this->input_error = 0;
}
catch (DWORD dw)
{
switch (dw)
{
case EXCEPTION_ACCESS_VIOLATION:
ASSERT(FALSE);
// ignore for now
break;
case INPUT_CONTAINS_ERRORS:
ASSERT(FALSE);
// ignore for now
break;
default:
ASSERT(FALSE);
break;
}
}
catch (CSeException *e)
{
TCHAR trcMsg[1024];
e->GetErrorMessage(trcMsg, 1024);
TRACE(trcMsg);
TRACE(_T("\n"));
e->Delete();
}
catch (...)
{
TRACE("Caught unknown exception in CLoader3\n");
}
}
}
CDatabase::CLoader3::~CLoader3()
{
}
int CDatabase::CLoader3::getc(void)
{
if (this->get_istream() == &this->ifs)
{
return this->PhreeqcI::getc();
}
else if ((CRichEditCtrl*)this->get_istream() == this->RichEditCtrl)
{
static char buffer[8];
static long nChars;
this->m_tr.chrg.cpMax = min(this->m_tr.chrg.cpMin + 2, this->m_nTextLength);
ASSERT((this->m_tr.chrg.cpMax - this->m_tr.chrg.cpMin) < 8);
if (this->m_tr.chrg.cpMin < this->m_tr.chrg.cpMax)
{
this->m_tr.lpstrText = buffer;
nChars = this->RichEditCtrl->SendMessage(EM_GETTEXTRANGE, 0, (LPARAM)&this->m_tr);
ASSERT(nChars == 2 || nChars == 1 || nChars == 0);
if (nChars == 2 || nChars == 1)
{
++this->m_tr.chrg.cpMin;
if (buffer[0] == '\r')
{
if (buffer[1] == '\n')
{
++this->m_tr.chrg.cpMin;
}
buffer[0] = '\n';
}
return buffer[0];
}
}
}
return EOF;
}
void CDatabase::CLoader3::warning_msg(const char *err_str)
{
this->m_strErr += err_str;
this->m_strErr += "\n";
this->m_strAll += err_str;
this->m_strAll += "\n";
}
void CDatabase::CLoader3::error_msg(const char *err_str, bool stop)
{
this->m_strErr += err_str;
this->m_strErr += "\n";
this->m_strAll += err_str;
this->m_strAll += "\n";
if (stop)
{
::OutputDebugString("An error occured reading the database:\n");
throw INPUT_CONTAINS_ERRORS;
}
}
bool CDatabase::CLoader3::output_open(const char *file_name, std::ios_base::openmode mode)
{
UNUSED_ALWAYS(file_name);
UNUSED_ALWAYS(mode);
TRACE("CDatabase::CLoader3::output_open\n");
return true;
}
bool CDatabase::CLoader3::log_open(const char *file_name, std::ios_base::openmode mode)
{
UNUSED_ALWAYS(file_name);
UNUSED_ALWAYS(mode);
TRACE("CDatabase::CLoader3::log_open\n");
return true;
}
bool CDatabase::CLoader3::punch_open(const char *file_name, std::ios_base::openmode mode, int n_user)
{
UNUSED_ALWAYS(file_name);
UNUSED_ALWAYS(mode);
UNUSED_ALWAYS(n_user);
TRACE("CDatabase::CLoader3::punch_open\n");
return true;
}
bool CDatabase::CLoader3::error_open(const char *file_name, const char *mode)
{
UNUSED_ALWAYS(file_name);
UNUSED_ALWAYS(mode);
TRACE("CDatabase::CLoader3::error_open\n");
return true;
}
bool CDatabase::CLoader3::dump_open(const char *file_name, std::ios_base::openmode mode)
{
UNUSED_ALWAYS(file_name);
UNUSED_ALWAYS(mode);
TRACE("CDatabase::CLoader3::dump_open\n");
return true;
}
void CDatabase::CLoader3::CopyPhreeqcStructs(CDatabase *db)
{
// list_all_elements
ASSERT(db->m_elementSet.empty());
std::vector<class element*>::iterator elemIter = elements.begin();
for (; elemIter < elements.end(); ++elemIter)
{
if ( (*elemIter)->master != NULL )
{
db->m_elementSet.insert(db->m_elementSet.end(), CDBElement(*elemIter, this));
}
}
// list all the salts(MEAN_GAMMAS)
ASSERT(db->m_meanGammasSet.empty());
std::map<std::string, cxxNameDouble>::const_iterator meanGammasIter = mean_gammas.begin();
for (; meanGammasIter != mean_gammas.end(); ++meanGammasIter)
{
db->m_meanGammasSet.insert(meanGammasIter->first);
}
// list all the Hermanska rates
ASSERT(db->m_rateHermanskaSet.empty());
std::map<std::string, std::vector<double>>::const_iterator hermanskaIter = rate_parameters_hermanska.begin();
for (; hermanskaIter != rate_parameters_hermanska.end(); ++hermanskaIter)
{
db->m_rateHermanskaSet.insert(hermanskaIter->first);
}
// list all the PK rates
ASSERT(db->m_ratePKSet.empty());
std::map<std::string, std::vector<double>>::const_iterator pkIter = rate_parameters_pk.begin();
for (; pkIter != rate_parameters_pk.end(); ++pkIter)
{
db->m_ratePKSet.insert(pkIter->first);
}
// list all the SVD rates
ASSERT(db->m_rateSVDSet.empty());
std::map<std::string, std::vector<double>>::const_iterator svdIter = rate_parameters_svd.begin();
for (; svdIter != rate_parameters_svd.end(); ++svdIter)
{
db->m_rateSVDSet.insert(svdIter->first);
}
// list_phases
ASSERT(db->m_phaseSet.empty());
std::vector<class phase*>::iterator phaseIter = phases.begin();
for (; phaseIter < phases.end(); ++phaseIter)
{
if ((*phaseIter)->type != SOLID)
continue;
db->m_phaseSet.insert(db->m_phaseSet.end(), *phaseIter);
}
// list_rates
ASSERT(db->m_rateSet.empty());
for (size_t i = 0; i < rates.size(); ++i)
{
db->m_rateSet.insert(&rates[i]);
}
// list_redox
size_t i, j, k;
CString str;
ASSERT(db->m_redoxSet.empty());
for (i = 0; i < master.size(); ++i)
{
if(master[i]->primary == TRUE)
{
for (j = i + 1; j < master.size(); ++j)
{
if ( master[j]->primary == TRUE ) break;
for (k = j + 1; k < master.size(); ++k)
{
if ( master[k]->primary == TRUE ) break;
if ( master[j]->elt == NULL ) break;
str.Format(_T("%s/%s"), master[j]->elt->name, master[k]->elt->name);
db->m_redoxSet.insert(db->m_redoxSet.end(), (LPCTSTR)str);
}
}
}
}
db->m_redoxSet.insert(db->m_redoxSet.begin(), _T("pe"));
// list_species
ASSERT(db->m_speciesSet.empty());
ASSERT(db->m_speciesAqSet.empty());
ASSERT(db->m_speciesExSet.empty());
ASSERT(db->m_speciesSurfSet.empty());
std::vector<class species*>::iterator specIter = s.begin();
for (; specIter < s.end(); ++specIter)
{
db->m_speciesSet.insert(db->m_speciesSet.end(), *specIter);
if ((*specIter)->type == AQ)
{
db->m_speciesAqSet.insert(db->m_speciesAqSet.end(), *specIter);
if ((*specIter)->z > 0)
{
db->m_speciesAqCationSet.insert(db->m_speciesAqCationSet.end(), *specIter);
}
else if ((*specIter)->z < 0)
{
db->m_speciesAqAnionSet.insert(db->m_speciesAqAnionSet.end(), *specIter);
}
else
{
db->m_speciesAqNeutralSet.insert(db->m_speciesAqNeutralSet.end(), *specIter);
}
}
if ((*specIter)->type == EX
&&
(*specIter)->primary == NULL)
{
db->m_speciesExSet.insert(db->m_speciesExSet.end(), *specIter);