Provides an interface to PHREEQC (Version 3)–A Computer Program for Speciation, Batch-Reaction, One-Dimensional Transport, and Inverse Geochemical Calculations. More...

#include <IPhreeqc.hpp>

Inheritance diagram for IPhreeqc:

Public Member Functions
	IPhreeqc (void)

virtual	~IPhreeqc (void)

VRESULT	AccumulateLine (const char *line)

size_t	AddError (const char *error_msg)

size_t	AddWarning (const char *warning_msg)

void	ClearAccumulatedLines (void)

const std::string &	GetAccumulatedLines (void)

const char *	GetComponent (int n)

size_t	GetComponentCount (void)

int	GetCurrentSelectedOutputUserNumber (void) const

const char *	GetDumpFileName (void) const

bool	GetDumpFileOn (void) const

const char *	GetDumpString (void) const

const char *	GetDumpStringLine (int n)

int	GetDumpStringLineCount (void) const

bool	GetDumpStringOn (void) const

const char *	GetErrorFileName (void) const

bool	GetErrorFileOn (void) const

const char *	GetErrorString (void)

const char *	GetErrorStringLine (int n)

int	GetErrorStringLineCount (void) const

bool	GetErrorStringOn (void) const

int	GetId (void) const

const char *	GetLogFileName (void) const

bool	GetLogFileOn (void) const

const char *	GetLogString (void) const

const char *	GetLogStringLine (int n) const

int	GetLogStringLineCount (void) const

bool	GetLogStringOn (void) const

int	GetNthSelectedOutputUserNumber (int n) const

const char *	GetOutputFileName (void) const

bool	GetOutputFileOn (void) const

const char *	GetOutputString (void) const

const char *	GetOutputStringLine (int n) const

int	GetOutputStringLineCount (void) const

bool	GetOutputStringOn (void) const

int	GetSelectedOutputColumnCount (void) const

int	GetSelectedOutputCount (void) const

const char *	GetSelectedOutputFileName (void) const

bool	GetSelectedOutputFileOn (void) const

int	GetSelectedOutputRowCount (void) const

const char *	GetSelectedOutputString (void) const

const char *	GetSelectedOutputStringLine (int n)

int	GetSelectedOutputStringLineCount (void) const

bool	GetSelectedOutputStringOn (void) const

VRESULT	GetSelectedOutputValue (int row, int col, VAR *pVAR)

VRESULT	GetSelectedOutputValue2 (int row, int col, int vtype, double dvalue, char *svalue, unsigned int svalue_length)

const char *	GetWarningString (void)

const char *	GetWarningStringLine (int n)

int	GetWarningStringLineCount (void) const

std::list< std::string >	ListComponents (void)

int	LoadDatabase (const char *filename)

int	LoadDatabaseString (const char *input)

void	OutputAccumulatedLines (void)

void	OutputErrorString (void)

void	OutputWarningString (void)

int	RunAccumulated (void)

int	RunFile (const char *filename)

int	RunString (const char *input)

void	SetBasicCallback (double(fcn)(double x1, double x2, const char str, void cookie), void cookie1)

void	SetBasicFortranCallback (double(fcn)(double x1, double x2, const char str, int l))

VRESULT	SetCurrentSelectedOutputUserNumber (int n)

void	SetDumpFileName (const char *filename)

void	SetDumpFileOn (bool bValue)

void	SetDumpStringOn (bool bValue)

void	SetErrorFileName (const char *filename)

void	SetErrorFileOn (bool bValue)

void	SetErrorStringOn (bool bValue)

void	SetLogFileName (const char *filename)

void	SetLogFileOn (bool bValue)

void	SetLogStringOn (bool bValue)

void	SetOutputFileName (const char *filename)

void	SetOutputFileOn (bool bValue)

void	SetOutputStringOn (bool bValue)

void	SetSelectedOutputFileName (const char *filename)

void	SetSelectedOutputFileOn (bool bValue)

void	SetSelectedOutputStringOn (bool bValue)

Static Public Member Functions
static const char *	GetVersionString (void)

Detailed Description

Provides an interface to PHREEQC (Version 3)–A Computer Program for Speciation, Batch-Reaction, One-Dimensional Transport, and Inverse Geochemical Calculations.

Constructor & Destructor Documentation

IPhreeqc::IPhreeqc ( void )

Constructor.

Example:: #include <cstdlib>

#include <iostream>

#include <IPhreeqc.hpp>

int main(void)

{

IPhreeqc iphreeqc;

if (iphreeqc.LoadDatabase("phreeqc.dat") != 0) {

std::cout << iphreeqc.GetErrorString() << std::endl;

return EXIT_FAILURE;

}

iphreeqc.AccumulateLine("TITLE Example 2.--Temperature dependence of solubility");

iphreeqc.AccumulateLine(" of gypsum and anhydrite ");

iphreeqc.AccumulateLine("SOLUTION 1 Pure water ");

iphreeqc.AccumulateLine(" pH 7.0 ");

iphreeqc.AccumulateLine(" temp 25.0 ");

iphreeqc.AccumulateLine("EQUILIBRIUM_PHASES 1 ");

iphreeqc.AccumulateLine(" Gypsum 0.0 1.0 ");

iphreeqc.AccumulateLine(" Anhydrite 0.0 1.0 ");

iphreeqc.AccumulateLine("REACTION_TEMPERATURE 1 ");

iphreeqc.AccumulateLine(" 25.0 75.0 in 51 steps ");

iphreeqc.AccumulateLine("SELECTED_OUTPUT ");

iphreeqc.AccumulateLine(" -file ex2.sel ");

iphreeqc.AccumulateLine(" -temperature ");

iphreeqc.AccumulateLine(" -si anhydrite gypsum ");

iphreeqc.AccumulateLine("END ");

if (iphreeqc.RunAccumulated() != 0) {

std::cout << iphreeqc.GetErrorString() << std::endl;

return EXIT_FAILURE;

}

VAR v;

::VarInit(&v);

std::cout << "selected-output:" << std::endl;

for (int i = 0; i < iphreeqc.GetSelectedOutputRowCount(); ++i) {

for (int j = 0; j < iphreeqc.GetSelectedOutputColumnCount(); ++j) {

if (iphreeqc.GetSelectedOutputValue(i, j, &v) == VR_OK) {

switch (v.type) {

case TT_LONG:

std::cout << v.lVal << " ";

break;

case TT_DOUBLE:

std::cout << v.dVal << " ";

break;

case TT_STRING:

std::cout << v.sVal << " ";

break;

case TT_EMPTY:

std::cout << "<empty> ";

break;

case TT_ERROR:

std::cout << "<error> ";

break;

}

}

::VarClear(&v);

}

std::cout << std::endl;

}

return EXIT_SUCCESS;

}

virtual IPhreeqc::~IPhreeqc ( void )

virtual

Destructor

Member Function Documentation

VRESULT IPhreeqc::AccumulateLine ( const char * line )

Accumlulate line(s) for input to phreeqc.

Parameters

line	The line(s) to add for input to phreeqc.

Return values

VR_OK	Success
VR_OUTOFMEMORY	Out of memory

See also: ClearAccumulatedLines, OutputAccumulatedLines, RunAccumulated

size_t IPhreeqc::AddError ( const char * error_msg )

Appends the given error message and increments the error count. Internally used to create an error condition.

Parameters

error_msg The error message to display.

Returns: The current error count.

See also: GetErrorString, GetErrorStringLine, GetErrorStringLineCount, OutputErrorString

size_t IPhreeqc::AddWarning ( const char * warning_msg )

Appends the given warning message and increments the warning count. Internally used to create a warning condition.

Parameters

warning_msg The warning message to display.

Returns: The current warning count.

See also: GetWarningString, GetWarningStringLine, GetWarningStringLineCount, OutputWarningString

void IPhreeqc::ClearAccumulatedLines ( void )

Clears the accumulated input buffer. Input buffer is accumulated from calls to AccumulateLine.

See also: AccumulateLine, GetAccumulatedLines, OutputAccumulatedLines, RunAccumulated

const std::string& IPhreeqc::GetAccumulatedLines ( void )

Retrieve the accumulated input string. The accumulated input string can be run with RunAccumulated.

Returns: The accumulated input string.

See also: AccumulateLine, ClearAccumulatedLines, OutputAccumulatedLines, RunAccumulated

const char* IPhreeqc::GetComponent ( int n )

Retrieves the given component.

Parameters

n	The zero-based index of the component to retrieve.

Returns: A null terminated string containing the given component. Returns an empty string if n is out of range.

See also: GetComponentCount, ListComponents

size_t IPhreeqc::GetComponentCount ( void )

Retrieves the number of components in the current list of components.

Returns: The current count of components.

See also: GetComponent, ListComponents

int IPhreeqc::GetCurrentSelectedOutputUserNumber ( void ) const

Retrieves the current SELECTED_OUTPUT user number. The initial setting is 1.

Returns: The current SELECTED_OUTPUT user number.

See also: GetSelectedOutputColumnCount, GetSelectedOutputFileName, GetSelectedOutputRowCount, GetSelectedOutputString, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, GetSelectedOutputValue, SetCurrentSelectedOutputUserNumber

const char* IPhreeqc::GetDumpFileName ( void ) const

Retrieves the name of the dump file. This file name is used if not specified within DUMP input. The default value is dump.id.out, where id is obtained from GetId.

Returns: filename The name of the file to write DUMP output to.

See also: GetDumpFileOn, GetDumpString, GetDumpStringOn, GetDumpStringLine, GetDumpStringLineCount, SetDumpFileName, SetDumpFileOn, SetDumpStringOn

bool IPhreeqc::GetDumpFileOn ( void ) const

Retrieves the current value of the dump file switch.

Return values

true	Output is written to the DUMP (*dump.id.out* if unspecified, where id is obtained from GetId) file.
false	No output is written.

See also: GetDumpStringLine, GetDumpStringLineCount, GetDumpStringOn, GetDumpString, SetDumpFileOn, SetDumpStringOn

const char* IPhreeqc::GetDumpString ( void ) const

Retrieves the string buffer containing DUMP output.

Returns: A null terminated string containing DUMP output.

Precondition: SetDumpStringOn must have been set to true in order to receive DUMP output.

See also: GetDumpStringLine, GetDumpFileOn, GetDumpStringLineCount, GetDumpStringOn, SetDumpFileOn, SetDumpStringOn

const char* IPhreeqc::GetDumpStringLine ( int n )

Retrieves the given dump line.

Parameters

n	The zero-based index of the line to retrieve.

Returns: A null terminated string containing the given line. Returns an empty string if n is out of range.

Precondition: SetDumpStringOn must have been set to true.

See also: GetDumpFileOn, GetDumpString, GetDumpStringLineCount, GetDumpStringOn, SetDumpFileOn, SetDumpStringOn

int IPhreeqc::GetDumpStringLineCount ( void ) const

Retrieves the number of lines in the current dump string buffer.

Returns: The number of lines.

Precondition: SetDumpStringOn must have been set to true.

See also: GetDumpFileOn, GetDumpString, GetDumpStringLine, GetDumpStringOn, SetDumpFileOn, SetDumpStringOn

bool IPhreeqc::GetDumpStringOn ( void ) const

Retrieves the current value of the dump string switch.

Return values

true	Output defined by the DUMP keyword is stored.
false	No output is stored.

See also: GetDumpFileOn, GetDumpString, GetDumpStringLine, GetDumpStringLineCount, SetDumpFileOn, SetDumpStringOn

const char* IPhreeqc::GetErrorFileName ( void ) const

Retrieves the name of the error file. The default value is phreeqc.id.err, where id is obtained from GetId.

Returns: filename The name of the file to write to.

See also: GetErrorFileOn, GetErrorString, GetErrorStringOn, GetErrorStringLine, GetErrorStringLineCount, SetErrorFileName, SetErrorFileOn, SetErrorStringOn

bool IPhreeqc::GetErrorFileOn ( void ) const

Retrieves the current value of the error file switch.

Return values

true	Errors are written to the *phreeqc.id.err* (where id is obtained from GetId) file.
false	No errors are written.

See also: SetErrorFileOn

const char* IPhreeqc::GetErrorString ( void )

Retrieves the error messages from the last call to RunAccumulated, RunFile, RunString, LoadDatabase, or LoadDatabaseString.

Returns: A null terminated string containing error messages.

See also: GetErrorStringLine, GetErrorStringLineCount, GetErrorFileOn, OutputErrorString, SetErrorFileOn

const char* IPhreeqc::GetErrorStringLine ( int n )

Retrieves the given error line.

Returns: A null terminated string containing the given line of the error string buffer.

Parameters

n	The zero-based index of the line to retrieve.

See also: GetErrorStringLineCount, OutputErrorString

int IPhreeqc::GetErrorStringLineCount ( void ) const

Retrieves the number of lines in the current error string buffer.

Returns: The number of lines.

See also: GetErrorStringLine, OutputErrorString

bool IPhreeqc::GetErrorStringOn ( void ) const

Retrieves the current value of the error string switch.

Return values

true	Error output is stored.
false	No error output is stored.

See also: GetErrorFileOn, GetErrorString, GetErrorStringLine, GetErrorStringLineCount, SetErrorFileOn, SetErrorStringOn

int IPhreeqc::GetId ( void ) const

Retrieves the id of this object. Each instance receives an id which is incremented for each instance starting with the value zero.

Returns: The id.

const char* IPhreeqc::GetLogFileName ( void ) const

Retrieves the name of the log file. The default value is phreeqc.id.log, where id is obtained from GetId.

Returns: filename The name of the file to write to.

See also: GetLogFileOn, GetLogString, GetLogStringOn, GetLogStringLine, GetLogStringLineCount, SetLogFileName, SetLogFileOn, SetLogStringOn

bool IPhreeqc::GetLogFileOn ( void ) const

Retrieves the current value of the log file switch.

Return values

true	Log messages are written to the *phreeqc.id.log* (where id is obtained from GetId) file.
false	No log messages are written.

Remarks: Logging must be enabled through the use of the KNOBS -logfile option in order to receive any log messages.

See also: SetLogFileOn

const char* IPhreeqc::GetLogString ( void ) const

Retrieves the string buffer containing phreeqc log output.

Returns: A null terminated string containing log output.

Precondition: SetLogStringOn must have been set to true and enabled through the use of the KNOBS -logfile option in order to receive any log messages.

See also: GetLogStringLine, GetLogFileOn, GetLogStringLineCount, GetLogStringOn, SetLogFileOn, SetLogStringOn

const char* IPhreeqc::GetLogStringLine ( int n ) const

Retrieves the given log line.

Parameters

n	The zero-based index of the line to retrieve.

Returns: A null terminated string containing the given line. Returns an empty string if n is out of range.

Precondition: SetLogStringOn must have been set to true and enabled through the use of the KNOBS -logfile option in order to receive any log messages.

See also: GetLogFileOn, GetLogString, GetLogStringLineCount, GetLogStringOn, SetLogFileOn, SetLogStringOn

int IPhreeqc::GetLogStringLineCount ( void ) const

Retrieves the number of lines in the current log string buffer.

Returns: The number of lines.

Precondition: SetLogStringOn must have been set to true and enabled through the use of the KNOBS -logfile option in order to receive any log messages.

See also: GetLogFileOn, GetLogString, GetLogStringLine, GetLogStringOn, SetLogFileOn, SetLogStringOn

bool IPhreeqc::GetLogStringOn ( void ) const

Retrieves the current value of the log string switch.

Return values

true	Log output is stored.
false	No log output is stored.

See also: GetLogFileOn, GetLogString, GetLogStringLine, GetLogStringLineCount, SetLogFileOn, SetLogStringOn

int IPhreeqc::GetNthSelectedOutputUserNumber ( int n ) const

Retrieves the nth user number of the currently defined SELECTED_OUTPUT blocks.

Parameters

n	The zero-based index of the SELECTED_OUTPUT user number to retrieve.

Returns: The nth defined user number; a negative value indicates an error occured.

See also: GetCurrentSelectedOutputUserNumber, GetSelectedOutputCount, SetCurrentSelectedOutputUserNumber

const char* IPhreeqc::GetOutputFileName ( void ) const

Retrieves the name of the output file. The default value is phreeqc.id.out, where id is obtained from GetId.

Returns: filename The name of the file to write phreeqc output to.

See also: GetOutputFileOn, GetOutputString, GetOutputStringOn, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileName, SetOutputFileOn, SetOutputStringOn

bool IPhreeqc::GetOutputFileOn ( void ) const

Retrieves the current value of the output file switch.

Return values

true	Output is written to the *phreeqc.id.out* (where id is obtained from GetId) file.
false	No output is written.

See also: GetOutputFileOn, GetOutputString, GetOutputStringOn, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileName, SetOutputFileOn, SetOutputStringOn

const char* IPhreeqc::GetOutputString ( void ) const

Retrieves the string buffer containing phreeqc output.

Returns: A null terminated string containing phreeqc output.

Precondition: SetOutputStringOn must have been set to true in order to receive output.

See also: GetOutputStringLine, GetOutputFileOn, GetOutputStringLineCount, GetOutputStringOn, SetOutputFileOn, SetOutputStringOn

const char* IPhreeqc::GetOutputStringLine ( int n ) const

Retrieves the given output line.

Parameters

n	The zero-based index of the line to retrieve.

Returns: A null terminated string containing the given line. Returns an empty string if n is out of range.

Precondition: SetOutputStringOn must have been set to true.

See also: GetOutputFileOn, GetOutputString, GetOutputStringLineCount, GetOutputStringOn, SetOutputFileOn, SetOutputStringOn

int IPhreeqc::GetOutputStringLineCount ( void ) const

Retrieves the number of lines in the current output string buffer.

Returns: The number of lines.

Precondition: SetOutputStringOn must have been set to true.

See also: GetOutputFileOn, GetOutputString, GetOutputStringLine, GetOutputStringOn, SetOutputFileOn, SetOutputStringOn

bool IPhreeqc::GetOutputStringOn ( void ) const

Retrieves the current value of the output string switch.

Return values

true	Phreeqc output is stored.
false	No phreeqc output is stored.

See also: GetOutputFileOn, GetOutputString, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileOn, SetOutputStringOn

int IPhreeqc::GetSelectedOutputColumnCount ( void ) const

Retrieves the number of columns in the current selected-output buffer (see SetCurrentSelectedOutputUserNumber).

Returns: The number of columns.

See also: GetCurrentSelectedOutputUserNumber, GetSelectedOutputRowCount, GetSelectedOutputValue, SetCurrentSelectedOutputUserNumber

int IPhreeqc::GetSelectedOutputCount ( void ) const

Retrieves the count of SELECTED_OUTPUT blocks that are currently defined.

Returns: The number of SELECTED_OUTPUT blocks.

See also: GetCurrentSelectedOutputUserNumber, GetNthSelectedOutputUserNumber, SetCurrentSelectedOutputUserNumber

const char* IPhreeqc::GetSelectedOutputFileName ( void ) const

Retrieves the name of the current selected output file (see SetCurrentSelectedOutputUserNumber). This file name is used if not specified within SELECTED_OUTPUT input. The default value is selected_n.id.out, where id is obtained from GetId.

Returns: filename The name of the file to write to.

See also: GetCurrentSelectedOutputUserNumber, GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringOn, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileName, SetSelectedOutputFileOn, SetSelectedOutputStringOn

bool IPhreeqc::GetSelectedOutputFileOn ( void ) const

Retrieves the current selected-output file switch (see SetCurrentSelectedOutputUserNumber).

Return values

true	Output is written to the selected-output (*selected_n.id.out* if unspecified, where id is obtained from GetId) file.
false	No output is written.

See also: GetSelectedOutputValue, GetSelectedOutputColumnCount, GetSelectedOutputRowCount, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn

int IPhreeqc::GetSelectedOutputRowCount ( void ) const

Retrieves the number of rows in the current selected-output buffer (see SetCurrentSelectedOutputUserNumber).

Returns: The number of rows.

See also: GetCurrentSelectedOutputUserNumber, GetSelectedOutputColumnCount, GetSelectedOutputFileOn, GetSelectedOutputValue, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn

const char* IPhreeqc::GetSelectedOutputString ( void ) const

Retrieves the string buffer containing SELECTED_OUTPUT for the currently selected user number (see SetCurrentSelectedOutputUserNumber).

Returns: A null terminated string containing SELECTED_OUTPUT.

Precondition: SetSelectedOutputStringOn must have been set to true in order to receive SELECTED_OUTPUT.

See also: GetCurrentSelectedOutputUserNumber, GetSelectedOutputStringLine, GetSelectedOutputFileOn, GetSelectedOutputStringLineCount, GetSelectedOutputStringOn, GetSelectedOutputString, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn, SetSelectedOutputStringOn

const char* IPhreeqc::GetSelectedOutputStringLine ( int n )

Retrieves the given selected output line of the currently selected user number (see SetCurrentSelectedOutputUserNumber).

Parameters

n	The zero-based index of the line to retrieve.

Returns: A null terminated string containing the given line. Returns an empty string if n is out of range.

Precondition: SetSelectedOutputStringOn must have been set to true.

See also: GetCurrentSelectedOutputUserNumber, GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringLineCount, GetSelectedOutputStringOn, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn, SetSelectedOutputStringOn

int IPhreeqc::GetSelectedOutputStringLineCount ( void ) const

Retrieves the number of lines in the current selected output string buffer (see SetCurrentSelectedOutputUserNumber).

Returns: The number of lines.

Precondition: SetSelectedOutputStringOn must have been set to true.

See also: GetCurrentSelectedOutputUserNumber, GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringLine, GetSelectedOutputStringOn, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn, SetSelectedOutputStringOn

bool IPhreeqc::GetSelectedOutputStringOn ( void ) const

Retrieves the value of the current selected output string switch (see SetCurrentSelectedOutputUserNumber).

Return values

true	Output defined by the SELECTED_OUTPUT keyword is stored.
false	No output is stored.

See also: GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn, SetSelectedOutputStringOn

VRESULT IPhreeqc::GetSelectedOutputValue	(	int	row,
		int	col,
		VAR *	pVAR
	)

Returns the VAR associated with the specified row and column. The current SELECTED_OUTPUT block is set using the SetCurrentSelectedOutputUserNumber method.

Parameters

row	The row index.
col	The column index.
pVAR	Pointer to the `VAR` to receive the requested data.

Return values

VR_OK	Success.
VR_INVALIDROW	The given row is out of range.
VR_INVALIDCOL	The given column is out of range.
VR_OUTOFMEMORY	Memory could not be allocated.
VR_BADINSTANCE	The given id is invalid.

See also: GetCurrentSelectedOutputUserNumber, GetSelectedOutputColumnCount, GetSelectedOutputFileOn, GetSelectedOutputRowCount, GetSelectedOutputValue2, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn

Remarks: Row 0 contains the column headings to the selected_ouput.

Examples:

The headings will include a suffix and/or prefix in order to differentiate the columns.

Input	Headings
`SELECTED_OUTPUT -reset false -totals Ca Na`	`Ca(mol/kgw) Na(mol/kgw)`
`SELECTED_OUTPUT -reset false -molalities Fe+2 Hfo_sOZn+`	`m_Fe+2(mol/kgw) m_Hfo_sOZn+(mol/kgw)`
`SELECTED_OUTPUT -reset false -activities H+ Ca+2`	`la_H+ la_Ca+2`
`SELECTED_OUTPUT -reset false -equilibrium_phases Calcite Dolomite`	`Calcite d_Calcite Dolomite d_Dolomite`
`SELECTED_OUTPUT -reset false -saturation_indices CO2(g) Siderite`	`si_CO2(g) si_Siderite`
`SELECTED_OUTPUT -reset false -gases CO2(g) N2(g)`	`pressure "total mol" volume g_CO2(g) g_N2(g)`
`SELECTED_OUTPUT -reset false -kinetic_reactants CH2O Pyrite`	`k_CH2O dk_CH2O k_Pyrite dk_Pyrite`
`SELECTED_OUTPUT -reset false -solid_solutions CaSO4 SrSO4`	`s_CaSO4 s_SrSO4`

VRESULT IPhreeqc::GetSelectedOutputValue2	(	int	row,
		int	col,
		int *	vtype,
		double *	dvalue,
		char *	svalue,
		unsigned int	svalue_length
	)

Returns the associated data with the specified row and column. The current SELECTED_OUTPUT block is set using the SetCurrentSelectedOutputUserNumber method.

Parameters

row	The row index.
col	The column index.
vtype	Receives the variable type. See VAR_TYPE.
dvalue	Receives the numeric value when (VTYPE=TT_DOUBLE) or (VTYPE=TT_LONG).
svalue	Receives the string variable when (VTYPE=TT_STRING). When (VTYPE=TT_DOUBLE) or (VTYPE=TT_LONG) this variable is filled with a string equivalent of DVALUE.
svalue_length	The length of the svalue buffer.

Return values

IPQ_OK	Success.
IPQ_INVALIDROW	The given row is out of range.
IPQ_INVALIDCOL	The given column is out of range.
IPQ_OUTOFMEMORY	Memory could not be allocated.
IPQ_BADINSTANCE	The given id is invalid.

See also: GetSelectedOutputFileOn, GetSelectedOutputColumnCount, GetSelectedOutputRowCount, GetSelectedOutputValue, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn

Remarks: Row 0 contains the column headings to the selected_ouput.

Examples:: See GetSelectedOutputValue.

static const char* IPhreeqc::GetVersionString ( void )

static

Retrieves the string buffer containing the version in the form of X.X.X-XXXX.

Returns: A null terminated string containing the IPhreeqc version number.

const char* IPhreeqc::GetWarningString ( void )

Retrieves the warning messages from the last call to RunAccumulated, RunFile, RunString, LoadDatabase, or LoadDatabaseString.

Returns: A null terminated string containing warning messages.

See also: GetWarningStringLine, GetWarningStringLineCount, OutputWarningString

const char* IPhreeqc::GetWarningStringLine ( int n )

Retrieves the given warning line.

Parameters

n	The zero-based index of the line to retrieve.

Returns: A null terminated string containing the given warning line message.

See also: GetWarningStringLineCount, OutputWarningString

int IPhreeqc::GetWarningStringLineCount ( void ) const

Retrieves the number of lines in the current warning string buffer.

Returns: The number of lines.

See also: GetWarningStringLine, GetWarningString, OutputWarningString

std::list< std::string > IPhreeqc::ListComponents ( void )

Retrieves the current list of components.

Returns: The current list of components.

See also: GetComponent, GetComponentCount

int IPhreeqc::LoadDatabase ( const char * filename )

Load the specified database file into phreeqc.

Parameters

filename The name of the phreeqc database to load. The full path (or relative path with respect to the working directory) will be required if the file is not in the current working directory.

Returns: The number of errors encountered.

See also: LoadDatabaseString

Remarks: All previous definitions are cleared.

int IPhreeqc::LoadDatabaseString ( const char * input )

Load the specified string as a database into phreeqc.

Parameters

input String containing data to be used as the phreeqc database.

Returns: The number of errors encountered.

See also: LoadDatabaseString

Remarks: All previous definitions are cleared.

void IPhreeqc::OutputAccumulatedLines ( void )

Output the accumulated input buffer to stdout. The input buffer can be run with a call to RunAccumulated.

See also: AccumulateLine, ClearAccumulatedLines, RunAccumulated

void IPhreeqc::OutputErrorString ( void )

Output the error messages normally stored in the phreeqc.id.err (where id is obtained from GetId) file to stdout.

See also: GetErrorStringLine, GetErrorStringLineCount, GetErrorFileOn, SetErrorFileOn

void IPhreeqc::OutputWarningString ( void )

Output the warning messages to stdout.

See also: GetWarningStringLine, GetWarningStringLineCount, GetWarningString

int IPhreeqc::RunAccumulated ( void )

Runs the input buffer as defined by calls to AccumulateLine.

Returns: The number of errors encountered.

See also: AccumulateLine, ClearAccumulatedLines, OutputAccumulatedLines, RunFile, RunString

Remarks: The accumulated input is cleared at the next call to AccumulateLine.

Precondition: LoadDatabase/LoadDatabaseString must have been called and returned 0 (zero) errors.

int IPhreeqc::RunFile ( const char * filename )

Runs the specified phreeqc input file.

Parameters

filename The name of the phreeqc input file to run.

Returns: The number of errors encountered during the run.

See also: RunAccumulated, RunString

Precondition: LoadDatabase/LoadDatabaseString must have been called and returned 0 (zero) errors.

int IPhreeqc::RunString ( const char * input )

Runs the specified string as input to phreeqc.

Parameters

input String containing phreeqc input.

Returns: The number of errors encountered during the run.

See also: RunAccumulated, RunFile

Precondition: LoadDatabase/LoadDatabaseString must have been called and returned 0 (zero) errors.

void IPhreeqc::SetBasicCallback	(	double()(double x1, double x2, const char str, void *cookie)	fcn,
		void *	cookie1
	)

Sets a C callback function for Basic programs. The syntax for the Basic command is 10 result = CALLBACK(x1, x2, string$) The syntax for the C function is double my_callback(double x1, double x2, const char * string)

Parameters

fcn	The name of a user-defined function.
cookie1	A user defined value to be passed to the callback function.

See also: SetBasicFortranCallback

void IPhreeqc::SetBasicFortranCallback ( double(*)(double *x1, double *x2, const char *str, int l) fcn )

Sets a Fortran callback function for Basic programs. The syntax for the Basic command is 10 result = CALLBACK(x1, x2, string$) The syntax for the Fortran function is double precision my_callback(x1, x2, string), where x1 and x2 are double precision and string is a character variable.

Parameters

fcn	The name of a user-defined function.

See also: SetBasicCallback

VRESULT IPhreeqc::SetCurrentSelectedOutputUserNumber ( int n )

Sets the current SELECTED_OUTPUT user number for use in subsequent calls to (GetSelectedOutputColumnCount, GetSelectedOutputFileName, GetSelectedOutputRowCount, GetSelectedOutputString, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, GetSelectedOutputValue, GetSelectedOutputValue2) routines. The initial setting is 1.

Parameters

n	The user number as specified in the SELECTED_OUTPUT block.

Return values

VR_OK	Success
VR_INVALIDARG	The given user number has not been defined.

See also: GetCurrentSelectedOutputUserNumber, GetSelectedOutputColumnCount, GetSelectedOutputFileName, GetSelectedOutputRowCount, GetSelectedOutputString, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, GetSelectedOutputValue

void IPhreeqc::SetDumpFileName ( const char * filename )

Sets the name of the dump file. This file name is used if not specified within DUMP input. The default value is dump.id.out, where id is obtained from GetId.

Parameters

filename The name of the file to write DUMP output to.

See also: GetDumpFileName, GetDumpFileOn, GetDumpString, GetDumpStringOn, GetDumpStringLine, GetDumpStringLineCount, SetDumpStringOn

void IPhreeqc::SetDumpFileOn ( bool bValue )

Sets the dump file switch on or off. This switch controls whether or not phreeqc writes to the DUMP (dump.id.out if unspecified, where id is obtained from GetId) file. The initial setting is false.

Parameters

bValue If true, turns on output to the DUMP file; if false, turns off output to the DUMP file.

See also: GetDumpFileOn, GetDumpString, GetDumpStringOn, GetDumpStringLine, GetDumpStringLineCount, SetDumpStringOn

void IPhreeqc::SetDumpStringOn ( bool bValue )

Sets the dump string switch on or off. This switch controls whether or not the data normally sent to the dump file are stored in a buffer for retrieval. The initial setting is false.

Parameters

bValue If true, captures the output defined by the DUMP keyword into a string buffer; if false, output defined by the DUMP keyword is not captured to a string buffer.

See also: GetDumpFileOn, GetDumpString, GetDumpStringOn, GetDumpStringLine, GetDumpStringLineCount, SetDumpFileOn

void IPhreeqc::SetErrorFileName ( const char * filename )

Sets the name of the error file. The default value is phreeqc.id.err, where id is obtained from GetId.

Parameters

filename The name of the file to write error output to.

See also: GetErrorFileName, GetErrorFileOn, GetErrorString, GetErrorStringOn, GetErrorStringLine, GetErrorStringLineCount, SetErrorFileOn, SetErrorStringOn

void IPhreeqc::SetErrorFileOn ( bool bValue )

Sets the error file switch on or off. This switch controls whether or not error messages are written to the phreeqc.id.err (where id is obtained from GetId) file. The initial setting is false.

Parameters

bValue If true, writes errors to the error file; if false, no errors are written to the error file.

See also: GetErrorStringLine, GetErrorStringLineCount, GetErrorFileOn, OutputErrorString

void IPhreeqc::SetErrorStringOn ( bool bValue )

Sets the error string switch on or off. This switch controls whether or not the data normally sent to the error file are stored in a buffer for retrieval. The initial setting is true.

Parameters

bValue If true, captures error output into a string buffer; if false, error output is not captured to a string buffer.

See also: GetErrorFileOn, GetErrorString, GetErrorStringOn, GetErrorStringLine, GetErrorStringLineCount, SetErrorFileOn

void IPhreeqc::SetLogFileName ( const char * filename )

Sets the name of the log file. The default value is phreeqc.id.log, where id is obtained from GetId.

Parameters

filename The name of the file to write log output to.

See also: GetLogFileName, GetLogFileOn, GetLogString, GetLogStringOn, GetLogStringLine, GetLogStringLineCount, SetLogFileOn, SetLogStringOn

void IPhreeqc::SetLogFileOn ( bool bValue )

Sets the log file switch on or off. This switch controls whether or not phreeqc writes log messages to the phreeqc.id.log (where id is obtained from GetId) file. The initial setting is false.

Parameters

bValue If true, turns on output to the log file; if false, no log messages are written to the log file.

Remarks: Logging must be enabled through the use of the KNOBS -logfile option in order to receive any log messages.

See also: GetLogFileOn

void IPhreeqc::SetLogStringOn ( bool bValue )

Sets the log string switch on or off. This switch controls whether or not the data normally sent to the log file are stored in a buffer for retrieval. The initial setting is false.

Parameters

bValue If true, captures log output into a string buffer; if false, log output is not captured to a string buffer.

See also: GetLogFileOn, GetLogString, GetLogStringOn, GetLogStringLine, GetLogStringLineCount, SetLogFileOn

void IPhreeqc::SetOutputFileName ( const char * filename )

Sets the name of the output file. The default value is phreeqc.id.out, where id is obtained from GetId.

Parameters

filename The name of the file to write phreeqc output to.

See also: GetOutputFileName, GetOutputFileOn, GetOutputString, GetOutputStringOn, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileOn, SetOutputStringOn

void IPhreeqc::SetOutputFileOn ( bool bValue )

Sets the output file switch on or off. This switch controls whether or not phreeqc writes to the phreeqc.id.out file (where id is obtained from GetId). This is the output that is normally generated when phreeqc is run. The initial setting is false.

Parameters

bValue If true, writes output to the output file; if false, no output is written to the output file.

See also: GetOutputFileOn

void IPhreeqc::SetOutputStringOn ( bool bValue )

Sets the output string switch on or off. This switch controls whether or not the data normally sent to the output file are stored in a buffer for retrieval. The initial setting is false.

Parameters

bValue If true, captures output into a string buffer; if false, output is not captured to a string buffer.

See also: GetOutputFileOn, GetOutputString, GetOutputStringOn, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileOn

void IPhreeqc::SetSelectedOutputFileName ( const char * filename )

Sets the name of the current selected output file (see SetCurrentSelectedOutputUserNumber). This file name is used if not specified within SELECTED_OUTPUT input. The default value is selected_n.id.out, where id is obtained from GetId.

Parameters

filename The name of the file to write SELECTED_OUTPUT output to.

See also: GetSelectedOutputFileName, GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringOn, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, SetCurrentSelectedOutputUserNumber, SetSelectedOutputStringOn

void IPhreeqc::SetSelectedOutputFileOn ( bool bValue )

Sets the selected-output file switch on or off. This switch controls whether or not phreeqc writes output to the current SELECTED_OUTPUT (selected_n.id.out if unspecified, where id is obtained from GetId) file. The initial setting is false.

Parameters

bValue If true, writes output to the selected-output file; if false, no output is written to the selected-output file.

See also: GetSelectedOutputColumnCount, GetSelectedOutputFileOn, GetSelectedOutputRowCount, GetSelectedOutputValue, SetCurrentSelectedOutputUserNumber

void IPhreeqc::SetSelectedOutputStringOn ( bool bValue )

Sets the selected output string switch on or off. This switch controls whether or not the data normally sent to the current SELECTED_OUTPUT file (see SetCurrentSelectedOutputUserNumber) are stored in a buffer for retrieval. The initial setting is false.

Parameters

bValue If true, captures the output defined by the SELECTED_OUTPUT keyword into a string buffer; if false, output defined by the SELECTED_OUTPUT keyword is not captured to a string buffer.

See also: GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringOn, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn

The documentation for this class was generated from the following file:

IPhreeqc.hpp

Public Member Functions

Static Public Member Functions

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation