max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-16 00:28:23 +01:00
Code Issues Packages Projects Releases Wiki Activity
iphreeqc/include/IPhreeqc.h
Scott R Charlton 8a0e427058 updated IPhreeqc.h for doxygen 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4401 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-05-15 01:08:08 +00:00

1070 lines
32 KiB
C
Raw Blame History

/*! @file IPhreeqc.h
@brief C/Fortran Documentation
*/
#ifndef INC_IPHREEQC_H
#define INC_IPHREEQC_H
#include "Var.h"
#if defined(_WINDLL)
#define DLL_EXPORT __declspec(dllexport)
#else
#define DLL_EXPORT
#endif
/*! \brief Enumeration used to return error codes.
*/
typedef enum {
IPQ_OK = 0, /*!< Success */
IPQ_OUTOFMEMORY = -1, /*!< Failure, Out of memory */
IPQ_BADVARTYPE = -2, /*!< Failure, Invalid VAR type */
IPQ_INVALIDARG = -3, /*!< Failure, Invalid argument */
IPQ_INVALIDROW = -4, /*!< Failure, Invalid row */
IPQ_INVALIDCOL = -5, /*!< Failure, Invalid column */
IPQ_BADINSTANCE = -6, /*!< Failure, Invalid instance id */
} IPQ_RESULT;
#if defined(__cplusplus)
extern "C" {
#endif
/**
* Accumlulate line(s) for input to phreeqc.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param line The line(s) to add for input to phreeqc.
* @retval IPQ_OK Success
* @retval IPQ_OUTOFMEMORY Out of memory
* @see OutputLines, RunAccumulated
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION AccumulateLine(LINE)
* INTEGER(KIND=4), INTENT(IN) :: ID
* CHARACTER(LEN=*), INTENT(IN) :: LINE
* INTEGER(KIND=4) :: AccumulateLine
* END FUNCTION AccumulateLine
* </PRE>
* </CODE>
* @endhtmlonly
*
* @par C Example:
* \include AccumulateLine.c
*
* @par Fortran90 Example:
* see \ref GetDumpLine_f90 "GetDumpLine"
*/
DLL_EXPORT IPQ_RESULT AccumulateLine(int id, const char *line);
/**
* Appends the given error message and increments the error count.
* Internally used to create an error condition.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param error_msg The error message to display.
* @returns The current error count if successful; otherwise a negative value indicates an error occured (see \ref IPQ_RESULT).
* @par Fortran90 Interface:
* @htmlonly
* Not implemented.
* @endhtmlonly
*/
DLL_EXPORT int AddError(int id, const char* error_msg);
/**
* Create a new IPhreeqc instance.
* @return A non-negative value if successful; otherwise a negative value indicates an error occured (see \ref IPQ_RESULT).
* @see DestroyIPhreeqc, UnLoadDatabase
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION CreateIPhreeqc()
* INTEGER(KIND=4) :: CreateIPhreeqc
* END FUNCTION CreateIPhreeqc
* </PRE>
* </CODE>
* @endhtmlonly
*
* \anchor CreateIPhreeqc_c
* @par C Example:
* \include CreateIPhreeqc.c
*
* \anchor CreateIPhreeqc_f90
* @par Fortran90 Example:
* \include F90CreateIPhreeqc.f90
*/
DLL_EXPORT int CreateIPhreeqc(void);
/**
* Release an IPhreeqc instance from memory.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @retval IPQ_OK Success
* @retval IPQ_BADINSTANCE The given id is invalid.
* @see CreateIPhreeqc, UnLoadDatabase
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION DestroyIPhreeqc(ID)
* INTEGER(KIND=4), INTENT(IN) :: ID
* INTEGER(KIND=4) :: DestroyIPhreeqc
* END FUNCTION DestroyIPhreeqc
* </PRE>
* </CODE>
* @endhtmlonly
*
* @par C Example:
* see \ref CreateIPhreeqc_c "CreateIPhreeqc"
*
* @par Fortran90 Example:
* see \ref CreateIPhreeqc_f90 "CreateIPhreeqc"
*/
DLL_EXPORT IPQ_RESULT DestroyIPhreeqc(int id);
/**
* Retrieves the given component.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param n The zero-based index of the component to retrieve.
* @return A null terminated string containing the given component.
* Returns an empty string if n is out of range.
* @see GetComponentCount
* @par Fortran90 Interface:
* (Note: N is one-based for the fortran interface)
* @htmlonly
* <CODE>
* <PRE>
* SUBROUTINE GetComponent(ID,N,COMP)
* INTEGER(KIND=4), INTENT(IN) :: ID
* INTEGER(KIND=4), INTENT(IN) :: N
* CHARACTER(LEN=*), INTENT(OUT) :: COMP
* END SUBROUTINE GetComponent
* </PRE>
* </CODE>
* @endhtmlonly
*
* \anchor GetComponent_c
* @par C Example:
* \include GetComponent.c
*
* \anchor GetComponent_f90
* @par Fortran90 Example:
* \include F90GetComponent.f90
*/
DLL_EXPORT const char* GetComponent(int id, int n);
/**
* Retrieves the number of components in the current component list .
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return The current count of components.
* A negative value indicates an error occured (see \ref IPQ_RESULT).
* @see GetComponent
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION GetComponentCount(ID)
* INTEGER(KIND=4), INTENT(IN) :: ID
* INTEGER(KIND=4) :: GetComponentCount
* END FUNCTION GetComponentCount
* </PRE>
* </CODE>
* @endhtmlonly
*
* @par C Example:
* see \ref GetComponent_c "GetComponent"
*
* @par Fortran90 Example:
* see \ref GetComponent_f90 "GetComponent"
*/
DLL_EXPORT int GetComponentCount(int id);
/**
* Retrieves the given dump line.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param n The zero-based index of the line to retrieve.
* @return A null terminated string containing the given line.
* Returns an empty string if n is out of range.
* @pre \ref SetDumpStringOn must have been set to true (non-zero).
* @see GetDumpLineCount, SetDumpStringOn
* @par Fortran90 Interface:
* @htmlonly
* (Note: N is one-based for the Fortran interface.)
* <CODE>
* <PRE>
* SUBROUTINE GetDumpLine(ID,N,LINE)
* INTEGER(KIND=4), INTENT(IN) :: ID
* INTEGER(KIND=4), INTENT(IN) :: N
* CHARACTER(LEN=*), INTENT(OUT) :: LINE
* END SUBROUTINE GetComponent
* </PRE>
* </CODE>
* @endhtmlonly
*
* \anchor GetDumpLine_f90
* @par Fortran90 Example:
* \include F90GetDumpLine.f90
*/
DLL_EXPORT const char* GetDumpLine(int id, int n);
/**
* Retrieves the number of lines in the current dump string buffer.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return The number of lines.
* @pre \ref SetDumpStringOn must have been set to true (non-zero).
* @see GetDumpLine, SetDumpStringOn
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION GetDumpLineCount(ID)
* INTEGER(KIND=4), INTENT(IN) :: ID
* INTEGER(KIND=4) :: GetDumpLineCount
* END FUNCTION GetDumpLineCount
* </PRE>
* </CODE>
* @endhtmlonly
*
* @par Fortran90 Example:
* see \ref GetDumpLine_f90 "GetDumpLine"
*/
DLL_EXPORT int GetDumpLineCount(int id);
/**
* Retrieves the current value of the dump file switch.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @see SetDumpOn, GetDumpLineCount, GetDumpLine, GetDumpString
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION GetDumpOn(DUMP_ON)
* INTEGER(KIND=4), INTENT(IN) :: ID
* LOGICAL(KIND=4) :: GetDumpOn
* END FUNCTION SetDumpOn
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT int GetDumpOn(int id);
/**
* Retrieves the string buffer containing <b>DUMP</b> output.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return A null terminated string containing <b>DUMP</b> output.
* @pre \ref SetDumpStringOn must have been set to true (non-zero) in order to recieve <b>DUMP</b> output.
* @see SetDumpStringOn
* @par Fortran90 Interface:
* Not implemented. (see \ref GetDumpLineCount, \ref GetDumpLine)
*
* \anchor GetDumpString_c
* @par C Example:
* \include GetDumpString.c
*/
DLL_EXPORT const char* GetDumpString(int id);
/**
* Retrieves the current value of the dump string flag.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return Non-zero if output defined by the <B>DUMP</B> keyword is stored, 0 (zero) otherwise.
* @see SetDumpStringOn, GetDumpString
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION GetDumpStringOn(DUMP_STRING_ON)
* INTEGER(KIND=4), INTENT(IN) :: ID
* LOGICAL(KIND=4) :: GetDumpStringOn
* END FUNCTION GetDumpStringOn
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT int GetDumpStringOn(int id);
/**
* Retrieves the given error line.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param n The zero-based index of the line to retrieve.
* @return A null terminated string containing the given error line message.
* @see GetErrorLineCount, OutputError
* @par Fortran90 Interface:
* (Note: N is one-based for the Fortran interface.)
* @htmlonly
* <CODE>
* <PRE>
* SUBROUTINE GetErrorLine
* INTEGER(KIND=4), INTENT(IN) :: ID
* INTEGER(KIND=4), INTENT(IN) :: N
* CHARACTER(LEN=*), INTENT(OUT) :: LINE
* END SUBROUTINE GetErrorLine
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT const char* GetErrorLine(int id, int n);
/**
* Retrieves the number of lines in the current error string buffer.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return The number of lines.
* @see GetErrorLine, OutputError
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION GetErrorLineCount
* INTEGER(KIND=4), INTENT(IN) :: ID
* INTEGER(KIND=4) :: GetErrorLineCount
* END FUNCTION GetErrorLineCount
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT int GetErrorLineCount(int id);
/**
* Retrieves the current value of the error file switch.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return Non-zero if errors are written to the <B><I>phreeqc.err</I></B> file, 0 (zero) otherwise.
* @see SetErrorOn
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION GetErrorOn(ERROR_ON)
* INTEGER(KIND=4), INTENT(IN) :: ID
* LOGICAL(KIND=4) :: GetErrorOn
* END FUNCTION GetErrorOn
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT int GetErrorOn(int id);
/**
* Retrieves the error messages from the last call to \ref RunAccumulated, \ref RunFile, \ref RunString, \ref LoadDatabase, or \ref LoadDatabaseString.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return A null terminated string containing error messages.
* @par Fortran90 Interface:
* Not implemented. (see \ref GetErrorLineCount, \ref GetErrorLine, \ref OutputError)
*/
DLL_EXPORT const char* GetErrorString(int id);
/**
* Retrieves the current value of the log file switch.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return Non-zero if output is written to the <B><I>phreeqc.log</I></B> file, 0 (zero) otherwise.
* @see SetLogOn
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION GetLogOn(ID)
* INTEGER(KIND=4), INTENT(IN) :: ID
* LOGICAL(KIND=4) :: GetLogOn
* END FUNCTION GetLogOn
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT int GetLogOn(int id);
/**
* Retrieves the current value of the output file switch.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return Non-zero if output is written to the <B><I>phreeqc.out</I></B> file, 0 (zero) otherwise.
* @see SetOutputOn
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION GetOutputOn(ID)
* INTEGER(KIND=4), INTENT(IN) :: ID
* END FUNCTION GetOutputOn
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT int GetOutputOn(int id);
/**
* Retrieves the number of columns in the selected-output buffer.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return The number of columns.
* @see GetSelectedOutputRowCount, GetSelectedOutputValue
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION GetSelectedOutputColumnCount
* INTEGER(KIND=4), INTENT(IN) :: ID
* INTEGER(KIND=4) :: GetSelectedOutputColumnCount
* END FUNCTION GetSelectedOutputColumnCount
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT int GetSelectedOutputColumnCount(int id);
/**
* Retrieves the selected-output file switch.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return Non-zero if output is written to the selected-output (<B><I>selected.out</I></B> if unspecified) file, 0 (zero) otherwise.
* @see SetSelectedOutputOn
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION GetSelectedOutputOn(SELECTED_ON)
* INTEGER(KIND=4), INTENT(IN) :: ID
* LOGICAL(KIND=4) :: GetSelectedOutputOn
* END FUNCTION GetSelectedOutputOn
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT int GetSelectedOutputOn(int id);
/**
* Retrieves the number of rows in the selected-output buffer.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return The number of rows.
* @see GetSelectedOutputColumnCount, GetSelectedOutputValue
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION GetSelectedOutputRowCount
* INTEGER(KIND=4), INTENT(IN) :: ID
* INTEGER(KIND=4) :: GetSelectedOutputRowCount
* END FUNCTION GetSelectedOutputRowCount
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT int GetSelectedOutputRowCount(int id);
/**
* Returns the \c VAR associated with the specified row and column.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param row The row index.
* @param col The column index.
* @param pVAR Pointer to the \c VAR to recieve the requested data.
* @retval IPQ_OK Success.
* @retval IPQ_INVALIDROW The given row is out of range.
* @retval IPQ_INVALIDCOL The given column is out of range.
* @retval IPQ_OUTOFMEMORY Memory could not be allocated.
* @retval IPQ_BADINSTANCE The given id is invalid.
* @remarks
* Row 0 contains the column headings to the selected_ouput.
* @par Examples:
* The headings will include a suffix and/or prefix in order to differentiate the
* columns.
* @htmlonly
<p>
<table border=1>
<TR VALIGN="top">
<TH width=65%>
Input
</TH>
<TH width=35%>
Headings
</TH>
</TR>
<TR VALIGN="top">
<TD width=65%>
<CODE><PRE>
SELECTED_OUTPUT
-reset false
-totals Ca Na
</PRE></CODE>
</TD>
<TD width=35%>
<CODE><PRE>
Ca(mol/kgw) Na(mol/kgw)
</PRE></CODE>
</TD>
</TR>
<TR VALIGN="top">
<TD width=65%>
<CODE><PRE>
SELECTED_OUTPUT
-reset false
-molalities Fe+2 Hfo_sOZn+
</PRE></CODE>
</TD>
<TD width=35%>
<CODE><PRE>
m_Fe+2(mol/kgw) m_Hfo_sOZn+(mol/kgw)
</PRE></CODE>
</TD>
</TR>
<TR VALIGN="top">
<TD width=65%>
<CODE><PRE>
SELECTED_OUTPUT
-reset false
-activities H+ Ca+2
</PRE></CODE>
</TD>
<TD width=35%>
<CODE><PRE>
la_H+ la_Ca+2
</PRE></CODE>
</TD>
</TR>
<TR VALIGN="top">
<TD width=65%>
<CODE><PRE>
SELECTED_OUTPUT
-reset false
-equilibrium_phases Calcite Dolomite
</PRE></CODE>
</TD>
<TD width=35%>
<CODE><PRE>
Calcite d_Calcite Dolomite d_Dolomite
</PRE></CODE>
</TD>
</TR>
<TR VALIGN="top">
<TD width=65%>
<CODE><PRE>
SELECTED_OUTPUT
-reset false
-saturation_indices CO2(g) Siderite
</PRE></CODE>
</TD>
<TD width=35%>
<CODE><PRE>
si_CO2(g) si_Siderite
</PRE></CODE>
</TD>
</TR>
<TR VALIGN="top">
<TD width=65%>
<CODE><PRE>
SELECTED_OUTPUT
-reset false
-gases CO2(g) N2(g)
</PRE></CODE>
</TD>
<TD width=35%>
<CODE><PRE>
pressure "total mol" volume g_CO2(g) g_N2(g)
</PRE></CODE>
</TD>
</TR>
<TR VALIGN="top">
<TD width=65%>
<CODE><PRE>
SELECTED_OUTPUT
-reset false
-kinetic_reactants CH2O Pyrite
</PRE></CODE>
</TD>
<TD width=35%>
<CODE><PRE>
k_CH2O dk_CH2O k_Pyrite dk_Pyrite
</PRE></CODE>
</TD>
</TR>
<TR VALIGN="top">
<TD width=65%>
<CODE><PRE>
SELECTED_OUTPUT
-reset false
-solid_solutions CaSO4 SrSO4
</PRE></CODE>
</TD>
<TD width=35%>
<CODE><PRE>
s_CaSO4 s_SrSO4
</PRE></CODE>
</TD>
</TR>
</table>
* @endhtmlonly
* @par Fortran90 Interface:
* ROW is 1-based for the Fortran interface except that the column headings are stored in ROW=0.
* COL is 1-based for the Fortran interface.
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION GetSelectedOutputValue(ID,ROW,COL,VTYPE,DVALUE,SVALUE)
* INTEGER(KIND=4), INTENT(IN) :: ID
* INTEGER(KIND=4), INTENT(IN) :: ROW
* INTEGER(KIND=4), INTENT(IN) :: COL
* INTEGER(KIND=4), INTENT(OUT) :: VTYPE
* REAL*8, INTENT(OUT) :: DVALUE
* CHARACTER(LEN=*), INTENT(OUT) :: SVALUE
* INTEGER(KIND=4) :: GetSelectedOutputValue
* END FUNCTION GetSelectedOutputValue
* </PRE>
* </CODE>
* @endhtmlonly
* @param ID The instance id returned from \ref CreateIPhreeqc.
* @param ROW The row index.
* @param COL The column index.
* @param VTYPE Returns the variable type. See \ref VAR_TYPE.
* @param DVALUE Returns the numeric value when (VTYPE=\ref TT_DOUBLE) or (VTYPE=\ref TT_LONG).
* @param SVALUE Returns the string variable when (VTYPE=\ref TT_STRING). When (VTYPE=\ref TT_DOUBLE) or (VTYPE=\ref TT_LONG) this variable is filled with a string equivalent of DVALUE.
*/
DLL_EXPORT IPQ_RESULT GetSelectedOutputValue(int id, int row, int col, VAR* pVAR);
/**
* Retrieves the given warning line.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param n The zero-based index of the line to retrieve.
* @return A null terminated string containing the given warning line message.
* @see GetWarningLineCount, OutputWarning
* @par Fortran90 Interface:
* (Note: N is one-based for the Fortran interface.)
* @htmlonly
* <CODE>
* <PRE>
* SUBROUTINE GetWarningLine(ID,N,LINE)
* INTEGER(KIND=4), INTENT(IN) :: ID
* LOGICAL(KIND=4), INTENT(IN) :: DUMP_ON
* END SUBROUTINE GetWarningLine
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT const char* GetWarningLine(int id, int n);
/**
* Retrieves the number of lines in the current warning string buffer.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return The number of lines.
* @see GetWarningLine, OutputWarning
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION GetWarningLineCount(ID)
* INTEGER(KIND=4), INTENT(IN) :: ID
* INTEGER(KIND=4) :: GetWarningLineCount
* END FUNCTION GetWarningLineCount
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT int GetWarningLineCount(int id);
/**
* Retrieves the warning messages from the last call to \ref RunAccumulated, \ref RunFile, \ref RunString, \ref LoadDatabase, or \ref LoadDatabaseString.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return A null terminated string containing warning messages.
* @see GetWarningLine, GetWarningLineCount, OutputWarning
* @par Fortran90 Interface:
* Not implemented. (see \ref GetWarningLineCount, \ref GetWarningLine, \ref OutputWarning)
*/
DLL_EXPORT const char* GetWarningString(int id);
/**
* Load the specified database file into phreeqc.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param filename The name of the phreeqc database to load.
* The full path (or relative path with respect to the working directory)
* must be given if the file is not in the current working directory.
* @return The number of errors encountered.
* @see LoadDatabaseString, UnLoadDatabase
* @remarks
* All previous definitions are cleared.
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION LoadDatabase(FILENAME)
* INTEGER(KIND=4), INTENT(IN) :: ID
* CHARACTER(LEN=*), INTENT(IN) :: FILENAME
* INTEGER(KIND=4) :: LoadDatabase
* END FUNCTION LoadDatabase
* </PRE>
* </CODE>
* @endhtmlonly
*
* @par C Example:
* see \ref CreateIPhreeqc_c "CreateIPhreeqc"
*
* @par Fortran90 Example:
* see \ref CreateIPhreeqc_f90 "CreateIPhreeqc"
*/
DLL_EXPORT int LoadDatabase(int id, const char* filename);
/**
* Load the specified string as a database into phreeqc.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param input String containing data to be used as the phreeqc database.
* @return The number of errors encountered.
* @see LoadDatabase, UnLoadDatabase
* @remarks
* All previous definitions are cleared.
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION LoadDatabaseString(INPUT)
* INTEGER(KIND=4), INTENT(IN) :: ID
* CHARACTER(LEN=*), INTENT(IN) :: INPUT
* INTEGER(KIND=4) :: LoadDatabaseString
* END FUNCTION LoadDatabaseString
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT int LoadDatabaseString(int id, const char* input);
/**
* Output the error messages normally stored in the phreeqc.err file to stdout.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @see GetErrorLine, GetErrorLineCount
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* SUBROUTINE OutputError
* INTEGER(KIND=4), INTENT(IN) :: ID
* END SUBROUTINE OutputError
* </PRE>
* </CODE>
* @endhtmlonly
*
* @par C Example:
* see \ref GetComponent_c "GetComponent"
*
* @par Fortran90 Example:
* see \ref GetDumpLine_f90 "GetDumpLine"
*/
DLL_EXPORT void OutputError(int id);
/**
* Output the accumulated input buffer to stdout. This input can be run with a call to \ref RunAccumulated.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @see AccumulateLine, RunAccumulated
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* SUBROUTINE OutputLines
* INTEGER(KIND=4), INTENT(IN) :: ID
* END SUBROUTINE OutputLines
* </PRE>
* </CODE>
* @endhtmlonly
*
* @par Fortran90 Example:
* see \ref GetDumpLine_f90 "GetDumpLine"
*/
DLL_EXPORT void OutputLines(int id);
/**
* Output the warning messages to stdout.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @see GetWarningLine, GetWarningLineCount
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* SUBROUTINE OutputWarning
* INTEGER(KIND=4), INTENT(IN) :: ID
* END SUBROUTINE OutputWarning
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT void OutputWarning(int id);
/**
* Runs the input buffer defined by calls to \ref AccumulateLine.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @return The number of errors encountered.
* @see AccumulateLine, OutputLines, RunFile, RunString
* @remarks
* The accumulated input is cleared upon a successful run (no errors).
* @pre \ref LoadDatabase/\ref LoadDatabaseString must have been called and returned 0 (zero) errors.
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION RunAccumulated()
* INTEGER(KIND=4), INTENT(IN) :: ID
* INTEGER(KIND=4) :: RunAccumulated
* END FUNCTION RunAccumulated
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT int RunAccumulated(int id);
/**
* Runs the specified phreeqc input file.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param filename The name of the phreeqc input file to run.
* @return The number of errors encountered during the run.
* @see RunAccumulated, RunString
* @pre \ref LoadDatabase/\ref LoadDatabaseString must have been called and returned 0 (zero) errors.
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION RunFile(FILENAME)
* INTEGER(KIND=4), INTENT(IN) :: ID
* CHARACTER(LEN=*), INTENT(IN) :: FILENAME
* INTEGER(KIND=4) :: RunFile
* END FUNCTION RunFile
* </PRE>
* </CODE>
* @endhtmlonly
*
* @par C Example:
* see \ref CreateIPhreeqc_c "CreateIPhreeqc"
*
* @par Fortran90 Example:
* see \ref CreateIPhreeqc_f90 "CreateIPhreeqc"
*/
DLL_EXPORT int RunFile(int id, const char* filename);
/**
* Runs the specified string as input to phreeqc.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param input String containing phreeqc input.
* @return The number of errors encountered during the run.
* @see RunAccumulated, RunFile
* @pre \ref LoadDatabase/\ref LoadDatabaseString must have been called and returned 0 (zero) errors.
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION RunString(INPUT)
* INTEGER(KIND=4), INTENT(IN) :: ID
* CHARACTER(LEN=*), INTENT(IN) :: INPUT
* INTEGER(KIND=4) :: RunString
* END FUNCTION RunString
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT int RunString(int id, const char* input);
/**
* Sets the dump file switch on or off. This switch controls whether or not phreeqc writes to the dump file.
* The initial setting after calling \ref CreateIPhreeqc is off.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param dump_on If non-zero turns on output to the <B>DUMP</B> (<B><I>dump.out</I></B> if unspecified) file.
* @retval IPQ_OK Success
* @retval IPQ_BADINSTANCE The given id is invalid.
* @see GetDumpOn, GetDumpString, GetDumpLine, GetDumpLineCount, SetDumpStringOn
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION SetDumpOn(ID,DUMP_ON)
* INTEGER(KIND=4), INTENT(IN) :: ID
* LOGICAL(KIND=4), INTENT(IN) :: DUMP_ON
* END FUNCTION SetDumpOn
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT IPQ_RESULT SetDumpOn(int id, int dump_on);
/**
* 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 after calling
* \ref CreateIPhreeqc is off.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param dump_string_on If non-zero captures the output defined by the <B>DUMP</B> keyword into a string buffer.
* @retval IPQ_OK Success.
* @retval IPQ_BADINSTANCE The given id is invalid.
* @see GetDumpStringOn, GetDumpString, GetDumpLine, GetDumpLineCount
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION SetDumpStringOn(ID,DUMP_STRING_ON)
* INTEGER(KIND=4), INTENT(IN) :: ID
* LOGICAL(KIND=4), INTENT(IN) :: DUMP_STRING_ON
* END FUNCTION SetDumpStringOn
* </PRE>
* </CODE>
* @endhtmlonly
*
* @par C Example:
* see \ref GetDumpString_c "GetDumpString"
*
* @par Fortran90 Example:
* see \ref GetDumpLine_f90 "GetDumpLine"
*/
DLL_EXPORT IPQ_RESULT SetDumpStringOn(int id, int dump_string_on);
/**
* Sets the error file switch on or off. This switch controls whether or not
* error messages are written to the <B><I>phreeqc.err</I></B> file. The initial setting after calling
* \ref CreateIPhreeqc is off.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param error_on If non-zero turns on output to the <B><I>phreeqc.err</I></B> file.
* @retval IPQ_OK Success.
* @retval IPQ_BADINSTANCE The given id is invalid.
* @see OutputError, GetErrorLine, GetErrorLineCount
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION SetErrorOn(ERROR_ON)
* INTEGER(KIND=4), INTENT(IN) :: ID
* LOGICAL(KIND=4), INTENT(IN) :: ERROR_ON
* END FUNCTION SetErrorOn
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT IPQ_RESULT SetErrorOn(int id, int error_on);
/**
* Sets the log file switch on or off. This switch controls whether or not phreeqc
* writes log messages to the <B><I>phreeqc.log</I></B> file. The initial setting after calling
* \ref CreateIPhreeqc is off.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param log_on If non-zero turns on output to the <B><I>phreeqc.log</I></B> file.
* @retval IPQ_OK Success.
* @retval IPQ_BADINSTANCE The given id is invalid.
* @see GetLogOn
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION SetLogOn(ID,LOG_ON)
* INTEGER(KIND=4), INTENT(IN) :: ID
* LOGICAL(KIND=4), INTENT(IN) :: LOG_ON
* INTEGER(KIND=4) :: SetLogOn
* END FUNCTION SetLogOn
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT IPQ_RESULT SetLogOn(int id, int log_on);
/**
* Sets the output file switch on or off. This switch controls whether or not phreeqc
* writes to the output file. This output is the output normally generated
* when phreeqc is run. The initial setting after calling \ref CreateIPhreeqc is off.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param output_on If non-zero turns on output to the <B><I>phreeqc.out</I></B> file.
* @retval IPQ_OK Success.
* @retval IPQ_BADINSTANCE The given id is invalid.
* @see GetOutputOn
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION SetOutputOn(ID,OUTPUT_ON)
* INTEGER(KIND=4), INTENT(IN) :: ID
* LOGICAL(KIND=4), INTENT(IN) :: OUTPUT_ON
* INTEGER(KIND=4) :: SetOutputOn
* END FUNCTION SetOutputOn
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT IPQ_RESULT SetOutputOn(int id, int output_on);
/**
* Sets the selected-output file switch on or off. This switch controls whether or not phreeqc writes output to
* the selected-output file. The initial setting after calling \ref CreateIPhreeqc is off.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @param sel_on If non-zero turns on output to the <B>SELECTED_OUTPUT</B> (<B><I>selected.out</I></B> if unspecified) file.
* @retval IPQ_OK Success.
* @retval IPQ_BADINSTANCE The given id is invalid.
* @see GetSelectedOutputOn
* @par Fortran90 Interface:
* @htmlonly
* <CODE>
* <PRE>
* FUNCTION SetSelectedOutputOn(ID,SEL_ON)
* INTEGER(KIND=4), INTENT(IN) :: ID
* LOGICAL(KIND=4), INTENT(IN) :: SEL_ON
* INTEGER(KIND=4) :: SetSelectedOutputOn
* END FUNCTION SetSelectedOutputOn
* </PRE>
* </CODE>
* @endhtmlonly
*/
DLL_EXPORT IPQ_RESULT SetSelectedOutputOn(int id, int sel_on);
/**
* Unloads the database currently loaded into phreeqc. In addition, all
* previous phreeqc definitions (i.e. SOLUTION, EXCHANGER, etc) are cleared from memory.
* @param id The instance id returned from \ref CreateIPhreeqc.
* @retval IPQ_OK Success.
* @retval IPQ_BADINSTANCE The given id is invalid.
* @see DestroyIPhreeqc, LoadDatabase, LoadDatabaseString
* @remarks
* Use of the method is not normally necessary. It is called automatically
* before each call to \ref LoadDatabase or \ref LoadDatabaseString.
*/
DLL_EXPORT IPQ_RESULT UnLoadDatabase(int id);
// TODO int RunWithCallback(PFN_PRERUN_CALLBACK pfn_pre, PFN_POSTRUN_CALLBACK pfn_post, void *cookie, int output_on, int error_on, int log_on, int selected_output_on);
// TODO int CatchErrors(PFN_CATCH_CALLBACK pfn, void *cookie);
#if defined(__cplusplus)
}
#endif
#endif // INC_IPHREEQC_H
Reference in New Issue View Git Blame Copy Permalink