mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
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adb8c93366
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4150 1feff8c3-07ed-0310-ac33-dd36852eb9cd
394 lines
9.6 KiB
C
394 lines
9.6 KiB
C
#ifndef _INC_IPHREEQC_H
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#define _INC_IPHREEQC_H
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#include "IPhreeqcCallbacks.h" /* PFN_PRERUN_CALLBACK, PFN_POSTRUN_CALLBACK, PFN_CATCH_CALLBACK */
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#include "Var.h" /* VRESULT */
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#if defined(__cplusplus)
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extern "C" {
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#endif
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/**
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* Load the specified database file into phreeqc.
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* @param filename The name of the phreeqc database to load.
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* The full path will be required if the file is not
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* in the current working directory.
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* @return The number of errors encountered.
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* @remarks
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* Any previous database definitions are cleared.
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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* <PRE>
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* FUNCTION LoadDatabase(FILENAME)
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* CHARACTER(LEN=*), INTENT(IN) :: FILENAME
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* INTEGER :: LoadDatabase
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* END FUNCTION LoadDatabase
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* </PRE>
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* </CODE>
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* @endhtmlonly
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*/
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int LoadDatabase(const char *filename);
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/**
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* Load the specified string as a database into phreeqc.
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* @param input String containing data to be used as the phreeqc database.
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* @return The number of errors encountered.
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* @remarks
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* Any previous database definitions are cleared.
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*/
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int LoadDatabaseString(const char *input);
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/**
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* Unload any database currently loaded into phreeqc.
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* @remarks
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* Any previous database definitions are cleared.
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*/
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void UnLoadDatabase(void);
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/**
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* Output the error messages normally stored in the phreeqc.err file to stdout.
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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* <PRE>
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* SUBROUTINE OutputLastError
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* END SUBROUTINE OutputLastError
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* </PRE>
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* </CODE>
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* @endhtmlonly
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*/
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void OutputLastError(void);
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/**
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* Accumlulate lines for input to phreeqc.
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* @param line The line(s) to add for input to phreeqc.
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* @retval VR_OK Success
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* @retval VR_OUTOFMEMORY Out of memory
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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* <PRE>
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* FUNCTION AccumulateLine(LINE)
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* CHARACTER(LEN=*), INTENT(IN) :: LINE
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* INTEGER :: AccumulateLine
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* END FUNCTION AccumulateLine
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* </PRE>
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* </CODE>
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* @endhtmlonly
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*/
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VRESULT AccumulateLine(const char *line);
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/**
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* Runs the accumulated input sent to AccumulateLine.
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* @param output_on If non-zero turns on output to the <B>phreeqc.out</B> file.
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* @param error_on If non-zero turns on output to the <B>phreeqc.err</B> file.
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* @param log_on If non-zero turns on output to the <B>phreeqc.log</B> file.
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* @param selected_output_on If non-zero turns on output to the <B>SELECTED_OUTPUT</B> (<B>selected.out</B> if unspecified) file.
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* @return The number of errors encountered.
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* @remarks
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* The accumulated input is cleared upon completion.
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* @pre LoadDatabase/LoadDatabaseString must have been called and returned 0 (zero) errors.
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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* <PRE>
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* FUNCTION Run(OUTPUT_ON, ERROR_ON, LOG_ON, SELECTED_ON)
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* LOGICAL, INTENT(IN) :: OUTPUT_ON
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* LOGICAL, INTENT(IN) :: ERROR_ON
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* LOGICAL, INTENT(IN) :: LOG_ON
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* LOGICAL, INTENT(IN) :: SELECTED_ON
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* INTEGER :: Run
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* END FUNCTION Run
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* </PRE>
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* </CODE>
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* @endhtmlonly
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*/
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int Run(int output_on, int error_on, int log_on, int selected_output_on);
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/**
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* Runs the specified phreeqc input file.
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* @param filename The name of the phreeqc input file to run.
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* @param output_on If non-zero turns on output to the <B>phreeqc.out</B> file.
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* @param error_on If non-zero turns on output to the <B>phreeqc.err</B> file.
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* @param log_on If non-zero turns on output to the <B>phreeqc.log</B> file.
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* @param selected_output_on If non-zero turns on output to the <B>SELECTED_OUTPUT</B> (<B>selected.out</B> if unspecified) file.
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* @return The number of errors encountered during the run.
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* @pre LoadDatabase/LoadDatabaseString must have been called and returned 0 (zero) errors.
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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* <PRE>
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* FUNCTION RunFile(FILENAME,OUTPUT_ON,ERROR_ON,LOG_ON,SELECTED_ON)
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* CHARACTER(LEN=*) :: FILENAME
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* LOGICAL, INTENT(IN) :: OUTPUT_ON
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* LOGICAL, INTENT(IN) :: ERROR_ON
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* LOGICAL, INTENT(IN) :: LOG_ON
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* LOGICAL, INTENT(IN) :: SELECTED_ON
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* INTEGER :: RunFile
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* END FUNCTION RunFile
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* </PRE>
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* </CODE>
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* @endhtmlonly
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*/
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int RunFile(const char *filename, int output_on, int error_on, int log_on, int selected_output_on);
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/**
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* Runs the specified phreeqc input file.
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* @param input String containing phreeqc input.
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* @param output_on If non-zero turns on output to the <B>phreeqc.out</B> file.
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* @param error_on If non-zero turns on output to the <B>phreeqc.err</B> file.
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* @param log_on If non-zero turns on output to the <B>phreeqc.log</B> file.
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* @param selected_output_on If non-zero turns on output to the <B>SELECTED_OUTPUT</B> (<B>selected.out</B> if unspecified) file.
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* @return The number of errors encountered during the run.
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* @pre LoadDatabase/LoadDatabaseString must have been called and returned 0 (zero) errors.
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*/
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int RunString(const char *input, int output_on, int error_on, int log_on, int selected_output_on);
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/**
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* Returns the number of rows currently contained within selected_output.
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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* <PRE>
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* FUNCTION GetSelectedOutputRowCount
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* INTEGER :: GetSelectedOutputRowCount
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* END FUNCTION GetSelectedOutputRowCount
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* </PRE>
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* </CODE>
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* @endhtmlonly
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*/
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int GetSelectedOutputRowCount(void);
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/**
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* Returns the number of columns currently contained within selected_output.
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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* <PRE>
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* FUNCTION GetSelectedOutputColumnCount
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* INTEGER :: GetSelectedOutputColumnCount
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* END FUNCTION GetSelectedOutputColumnCount
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* </PRE>
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* </CODE>
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* @endhtmlonly
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*/
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int GetSelectedOutputColumnCount(void);
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/**
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* Returns the \c VAR associated with the specified row and column.
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* @param row The row index.
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* @param col The column index.
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* @param pVAR Pointer to the \c VAR to recieve the requested data.
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* @retval VR_OK Success
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* @retval VR_INVALIDROW The given row is out of range.
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* @retval VR_INVALIDCOL The given column is out of range.
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* @retval VR_OUTOFMEMORY Memory could not be allocated.
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* @remarks
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* Row 0 contains the column headings to the selected_ouput.
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* @par Examples:
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* The headings will include a suffix and/or prefix in order to differentiate the
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* columns.
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* @htmlonly
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<p>
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<table border=1>
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<TR VALIGN="top">
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<TH width=65%>
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Input
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</TH>
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<TH width=35%>
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Headings
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</TH>
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</TR>
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<TR VALIGN="top">
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<TD width=65%>
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<CODE><PRE>
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SELECTED_OUTPUT
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-reset false
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-totals Ca Na
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</PRE></CODE>
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</TD>
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<TD width=35%>
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<CODE><PRE>
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Ca(mol/kgw) Na(mol/kgw)
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</PRE></CODE>
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</TD>
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</TR>
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<TR VALIGN="top">
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<TD width=65%>
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<CODE><PRE>
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SELECTED_OUTPUT
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-reset false
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-molalities Fe+2 Hfo_sOZn+
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</PRE></CODE>
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</TD>
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<TD width=35%>
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<CODE><PRE>
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m_Fe+2(mol/kgw) m_Hfo_sOZn+(mol/kgw)
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</PRE></CODE>
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</TD>
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</TR>
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<TR VALIGN="top">
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<TD width=65%>
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<CODE><PRE>
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SELECTED_OUTPUT
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-reset false
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-activities H+ Ca+2
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</PRE></CODE>
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</TD>
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<TD width=35%>
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<CODE><PRE>
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la_H+ la_Ca+2
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</PRE></CODE>
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</TD>
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</TR>
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<TR VALIGN="top">
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<TD width=65%>
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<CODE><PRE>
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SELECTED_OUTPUT
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-reset false
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-equilibrium_phases Calcite Dolomite
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</PRE></CODE>
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</TD>
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<TD width=35%>
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<CODE><PRE>
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Calcite d_Calcite Dolomite d_Dolomite
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</PRE></CODE>
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</TD>
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</TR>
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<TR VALIGN="top">
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<TD width=65%>
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<CODE><PRE>
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SELECTED_OUTPUT
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-reset false
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-saturation_indices CO2(g) Siderite
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</PRE></CODE>
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</TD>
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<TD width=35%>
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<CODE><PRE>
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si_CO2(g) si_Siderite
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</PRE></CODE>
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</TD>
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</TR>
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<TR VALIGN="top">
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<TD width=65%>
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<CODE><PRE>
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SELECTED_OUTPUT
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-reset false
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-gases CO2(g) N2(g)
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</PRE></CODE>
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</TD>
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<TD width=35%>
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<CODE><PRE>
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pressure "total mol" volume g_CO2(g) g_N2(g)
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</PRE></CODE>
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</TD>
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</TR>
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<TR VALIGN="top">
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<TD width=65%>
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<CODE><PRE>
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SELECTED_OUTPUT
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-reset false
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-kinetic_reactants CH2O Pyrite
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</PRE></CODE>
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</TD>
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<TD width=35%>
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<CODE><PRE>
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k_CH2O dk_CH2O k_Pyrite dk_Pyrite
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</PRE></CODE>
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</TD>
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</TR>
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<TR VALIGN="top">
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<TD width=65%>
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<CODE><PRE>
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SELECTED_OUTPUT
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-reset false
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-solid_solutions CaSO4 SrSO4
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</PRE></CODE>
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</TD>
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<TD width=35%>
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<CODE><PRE>
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s_CaSO4 s_SrSO4
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</PRE></CODE>
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</TD>
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</TR>
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</table>
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* @endhtmlonly
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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* <PRE>
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* FUNCTION GetSelectedOutputValue(ROW,COL,VTYPE,DVALUE,SVALUE)
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* INTEGER, INTENT(IN) :: ROW
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* INTEGER, INTENT(IN) :: COL
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* INTEGER, INTENT(OUT) :: VTYPE
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* REAL*8, INTENT(OUT) :: DVALUE
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* CHARACTER(LEN=*), INTENT(OUT) :: SVALUE
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* INTEGER :: GetSelectedOutputValue
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* END FUNCTION GetSelectedOutputValue
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* </PRE>
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* </CODE>
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* @endhtmlonly
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*/
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VRESULT GetSelectedOutputValue(int row, int col, VAR* pVAR);
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/**
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* Appends the given error message and increments the error count.
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* Internally used to create an error condition.
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* @internal
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*/
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size_t AddError(const char* error_msg);
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/**
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* TODO
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* @internal
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*/
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/*
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void ClearErrors(void);
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*/
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/**
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* Send the accumulated input to stdout.
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* This is the input that will be used for the next call to Run.
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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* <PRE>
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* SUBROUTINE OutputLines
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* END SUBROUTINE OutputLines
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* </PRE>
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* </CODE>
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* @endhtmlonly
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*/
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void OutputLines(void);
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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);
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int CatchErrors(PFN_CATCH_CALLBACK pfn, void *cookie);
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const char* GetLastErrorString(void);
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#if defined(WIN32)
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void DebugOutputLines(void);
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#endif
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#if defined(__cplusplus)
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}
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#endif
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#endif /* _INC_IPHREEQC_H */
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