mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
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updating documentation
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4346 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
Scott R Charlton
parent
d87e238bbb
commit
8263587da2
@ -28,10 +28,10 @@ extern "C" {
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/**
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* Accumlulate line(s) for input to phreeqc.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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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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* @retval IPQ_OK Success
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* @retval IPQ_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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@ -51,8 +51,9 @@ extern "C" {
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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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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @param error_msg The error message to display.
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* @returns The current error count if successful; otherwise a negative value indicates an error occured (see \ref IPQ_RESULT).
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* @par Fortran90 Interface:
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* @htmlonly
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* Not implemented.
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@ -81,7 +82,9 @@ extern "C" {
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/**
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* Release an IPhreeqc instance from memory.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @retval IPQ_OK Success
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* @retval IPQ_BADINSTANCE The given id is invalid.
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* @see CreateIPhreeqc
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* @par Fortran90 Interface:
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* @htmlonly
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@ -100,16 +103,19 @@ extern "C" {
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/**
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* Retrieves the given component.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @param n The zero-based index of the component to retrieve.
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* @return A null terminated string containing the given component.
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* Returns an empty string if n is out of range.
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* @see GetComponentCount
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* @par Fortran90 Interface:
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* (Note: N is one-based for the fortran interface)
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* @htmlonly
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* <CODE>
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* <PRE>
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* SUBROUTINE GetComponent(ID,N,COMP)
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* INTEGER(KIND=4), INTENT(IN) :: ID
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* INTEGER(KIND=4), INTENT(IN) :: N ! one-based index
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* INTEGER(KIND=4), INTENT(IN) :: N
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* CHARACTER(LEN=*), INTENT(OUT) :: COMP
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* END SUBROUTINE GetComponent
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* </PRE>
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@ -121,7 +127,9 @@ extern "C" {
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/**
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* Retrieves the number of components in the current simulation.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @return The current count of components.
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* A negative value indicates an error occured (see \ref IPQ_RESULT).
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* @see GetComponent
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* @par Fortran90 Interface:
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* @htmlonly
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@ -140,16 +148,19 @@ extern "C" {
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/**
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* Retrieves the given dump line.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @param n The zero-based index of the line to retrieve.
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* @return A null terminated string containing the given line.
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* Returns an empty string if n is out of range.
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* @see GetDumpLineCount, SetDumpStringOn
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* @par Fortran90 Interface:
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* @htmlonly
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* (Note: N is one-based for the fortran interface.)
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* <CODE>
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* <PRE>
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* SUBROUTINE GetDumpLine(ID,N,LINE)
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* INTEGER(KIND=4), INTENT(IN) :: ID
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* INTEGER(KIND=4), INTENT(IN) :: N ! one-based index
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* INTEGER(KIND=4), INTENT(IN) :: N
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* CHARACTER(LEN=*), INTENT(OUT) :: LINE
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* END SUBROUTINE GetComponent
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* </PRE>
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@ -161,7 +172,8 @@ extern "C" {
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/**
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* Retrieves the number of lines in the current dump string buffer.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @return The number of lines.
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* @see GetDumpLineCount, SetDumpStringOn
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* @par Fortran90 Interface:
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* @htmlonly
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@ -180,7 +192,7 @@ extern "C" {
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/**
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* Retrieves the current value of the dump flag.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @see SetDumpOn
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* @par Fortran90 Interface:
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* @htmlonly
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@ -199,21 +211,19 @@ extern "C" {
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/**
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* Retrieves the string buffer containing <b>DUMP</b> output.
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* @param id The instance id returned from CreateIPhreeqc.
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* @remarks
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* The dump string flag must be set to true in order to recieve <b>DUMP</b> output.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @pre \ref SetDumpStringOn must have been set to true (non-zero) in order to recieve <b>DUMP</b> output.
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* @see SetDumpStringOn
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* @par Fortran90 Interface:
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* @htmlonly
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* Not implemented.
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* @endhtmlonly
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* Not implemented. (see \ref GetDumpLineCount, \ref GetDumpLine)
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*/
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DLL_EXPORT const char* GetDumpString(int id);
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/**
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* Retrieves the current value of the dump string flag.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @see SetDumpStringOn, GetDumpString
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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@ -231,16 +241,17 @@ extern "C" {
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/**
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* Retrieves the given error line.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @param n The zero-based index of the line to retrieve.
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* @see GetErrorLineCount
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* @par Fortran90 Interface:
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* (Note: N is one-based for the fortran interface.)
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* @htmlonly
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* <CODE>
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* <PRE>
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* SUBROUTINE GetErrorLine
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* INTEGER(KIND=4), INTENT(IN) :: ID
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* INTEGER(KIND=4), INTENT(IN) :: N ! one-based index
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* INTEGER(KIND=4), INTENT(IN) :: N
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* CHARACTER(LEN=*), INTENT(OUT) :: LINE
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* END SUBROUTINE GetErrorLine
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* </PRE>
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@ -252,7 +263,8 @@ extern "C" {
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/**
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* Retrieves the number of lines in the current error string buffer.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @see GetErrorLine
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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@ -270,16 +282,16 @@ extern "C" {
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/**
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* Retrieves the current value of the error flag.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @see SetErrorOn
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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 SetErrorOn(ERROR_ON)
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* FUNCTION GetErrorOn(ERROR_ON)
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* INTEGER(KIND=4), INTENT(IN) :: ID
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* LOGICAL(KIND=4), INTENT(IN) :: ERROR_ON
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* END SUBROUTINE SetOutputOn
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* LOGICAL(KIND=4) :: GetErrorOn
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* END FUNCTION GetErrorOn
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* </PRE>
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* </CODE>
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* @endhtmlonly
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@ -288,41 +300,35 @@ extern "C" {
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/**
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* Retrieves the current value of the dump flag.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param dump_on If non-zero turns on output to the <B>DUMP</B> (<B>dump.out</B> if unspecified) file.
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* Retrieves the error messages from the last call to \ref RunAccumulated, \ref RunFile, \ref LoadDatabase, or \ref LoadDatabaseString.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @par Fortran90 Interface:
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* @htmlonly
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* Not implemented.
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* @endhtmlonly
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* Not implemented. (see \ref GetErrorLineCount, \ref GetErrorLine, \ref OutputError)
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*/
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DLL_EXPORT const char* GetErrorString(int id);
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/**
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* Retrieves the current value of the dump flag.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param dump_on If non-zero turns on output to the <B>DUMP</B> (<B>dump.out</B> if unspecified) file.
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* Retrieves the warning messages from the last call to \ref RunAccumulated, \ref RunFile, \ref LoadDatabase, or \ref LoadDatabaseString.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @par Fortran90 Interface:
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* @htmlonly
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* Not implemented.
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* @endhtmlonly
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* Not implemented. (see \ref GetWarningLineCount, \ref GetWarningLine, \ref OutputWarning)
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*/
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DLL_EXPORT const char* GetWarningString(int id);
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/**
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* Sets the log flag on or off
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* @param id The instance id returned from CreateIPhreeqc.
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* @param log_on If non-zero turns on output to the <B>phreeqc.log</B> file.
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* Retrieves the current value of the log flag.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @see SetLogOn
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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 SetLogOn(LOG_ON)
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* FUNCTION GetLogOn(ID)
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* INTEGER(KIND=4), INTENT(IN) :: ID
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* LOGICAL(KIND=4), INTENT(IN) :: LOG_ON
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* END SUBROUTINE SetLogOn
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* LOGICAL(KIND=4) :: GetLogOn
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* END FUNCTION GetLogOn
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* </PRE>
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* </CODE>
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* @endhtmlonly
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@ -331,17 +337,16 @@ extern "C" {
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/**
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* Sets the output flag on or off
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* @param id The instance id returned from CreateIPhreeqc.
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* @param output_on If non-zero turns on output to the <B>phreeqc.out</B> file.
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* Retrieves the current value of the output flag.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @see SetOutputOn
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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 SetOutputOn(OUTPUT_ON)
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* FUNCTION GetOutputOn(ID)
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* INTEGER(KIND=4), INTENT(IN) :: ID
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* LOGICAL(KIND=4), INTENT(IN) :: OUTPUT_ON
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* END SUBROUTINE SetOutputOn
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* END FUNCTION GetOutputOn
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* </PRE>
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* </CODE>
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* @endhtmlonly
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@ -351,7 +356,8 @@ extern "C" {
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/**
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* Returns the number of columns currently contained within selected_output.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @see GetSelectedOutputRowCount, GetSelectedOutputValue
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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@ -368,17 +374,17 @@ extern "C" {
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/**
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* Sets the selected_output flag on or off
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* @param id The instance id returned from CreateIPhreeqc.
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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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* Retrieves the selected_output flag.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @see SetSelectedOutputOn
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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 SetSelectedOutputOn(SELECTED_ON)
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* FUNCTION GetSelectedOutputOn(SELECTED_ON)
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* INTEGER(KIND=4), INTENT(IN) :: ID
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* LOGICAL(KIND=4), INTENT(IN) :: SELECTED_ON
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* END SUBROUTINE SetSelectedOutputOn
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* LOGICAL(KIND=4) :: GetSelectedOutputOn
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* END FUNCTION GetSelectedOutputOn
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* </PRE>
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* </CODE>
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* @endhtmlonly
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@ -388,7 +394,8 @@ extern "C" {
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/**
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* Returns the number of rows currently contained within selected_output.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @see GetSelectedOutputColumnCount, GetSelectedOutputValue
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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@ -406,14 +413,15 @@ extern "C" {
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/**
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* Returns the \c VAR associated with the specified row and column.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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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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* @retval IPQ_OK Success
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* @retval IPQ_INVALIDROW The given row is out of range.
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* @retval IPQ_INVALIDCOL The given column is out of range.
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* @retval IPQ_OUTOFMEMORY Memory could not be allocated.
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* @retval IPQ_BADINSTANCE The given id is invalid.
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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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@ -555,6 +563,8 @@ Headings
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</table>
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* @endhtmlonly
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* @par Fortran90 Interface:
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* ROW is 1-based for the fortran interface except that the column headings are stored in ROW=0.
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* COL is 1-based for the fortran interface.
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* @htmlonly
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* <CODE>
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* <PRE>
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@ -576,16 +586,18 @@ Headings
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/**
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* Retrieves the current value of the dump flag.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @param n The zero-based index of the line to retrieve.
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* @see GetWarningLineCount, OutputWarning
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* @par Fortran90 Interface:
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* (Note: N is one-based for the fortran interface.)
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* @htmlonly
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* <CODE>
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* <PRE>
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* SUBROUTINE GetDumpOn(DUMP_ON)
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* SUBROUTINE GetWarningLine(ID,N,LINE)
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* INTEGER(KIND=4), INTENT(IN) :: ID
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* LOGICAL(KIND=4), INTENT(IN) :: DUMP_ON
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* END SUBROUTINE SetDumpOn
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* END SUBROUTINE GetWarningLine
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* </PRE>
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* </CODE>
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* @endhtmlonly
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@ -595,7 +607,7 @@ Headings
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/**
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* Retrieves the number of lines in the current warning string buffer.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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@ -613,7 +625,7 @@ Headings
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/**
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* Load the specified database file into phreeqc.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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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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@ -638,7 +650,7 @@ Headings
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/**
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* Load the specified string as a database into phreeqc.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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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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@ -661,7 +673,7 @@ Headings
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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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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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@ -677,8 +689,8 @@ Headings
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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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* @param id The instance id returned from CreateIPhreeqc.
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* Output the warning messages to stdout.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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@ -694,9 +706,9 @@ Headings
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/**
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* Send the accumulated input to stdout.
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* @param id The instance id returned from CreateIPhreeqc.
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* This is the input that will be used for the next call to RunAccumulated.
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* Output the accumulated input to stdout. This is the input that will be
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* used for the next call to RunAccumulated.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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* @par Fortran90 Interface:
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* @htmlonly
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* <CODE>
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@ -713,11 +725,11 @@ Headings
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/**
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* Runs the accumulated input sent to AccumulateLine.
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* @param id The instance id returned from CreateIPhreeqc.
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* @param id The instance id returned from \ref CreateIPhreeqc.
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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.
|
||||
* 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>
|
||||
@ -735,10 +747,10 @@ Headings
|
||||
|
||||
/**
|
||||
* Runs the specified phreeqc input file.
|
||||
* @param id The instance id returned from CreateIPhreeqc.
|
||||
* @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.
|
||||
* @pre LoadDatabase/LoadDatabaseString must have been called and returned 0 (zero) errors.
|
||||
* @pre \ref LoadDatabase/\ref LoadDatabaseString must have been called and returned 0 (zero) errors.
|
||||
* @par Fortran90 Interface:
|
||||
* @htmlonly
|
||||
* <CODE>
|
||||
@ -757,10 +769,10 @@ Headings
|
||||
|
||||
/**
|
||||
* Runs the specified string as input to phreeqc.
|
||||
* @param id The instance id returned from CreateIPhreeqc.
|
||||
* @param id The instance id returned from \ref CreateIPhreeqc.
|
||||
* @param input String containing phreeqc input.
|
||||
* @return The number of errors encountered during the run.
|
||||
* @pre LoadDatabase/LoadDatabaseString must have been called and returned 0 (zero) errors.
|
||||
* @pre \ref LoadDatabase/\ref LoadDatabaseString must have been called and returned 0 (zero) errors.
|
||||
* @par Fortran90 Interface:
|
||||
* @htmlonly
|
||||
* <CODE>
|
||||
@ -778,9 +790,13 @@ Headings
|
||||
|
||||
|
||||
/**
|
||||
* Sets the dump flag on or off
|
||||
* @param id The instance id returned from CreateIPhreeqc.
|
||||
* @param dump_on If non-zero turns on output to the <B>DUMP</B> (<B>dump.out</B> if unspecified) file.
|
||||
* Sets the dump flag on or off. This flag controls whether or not phreeqc writes to the dump file.
|
||||
* The default 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>dump.out</B> if unspecified) file.
|
||||
* @retval IPQ_OK Success
|
||||
* @retval IPQ_BADINSTANCE The given id is invalid.
|
||||
* @see
|
||||
* @par Fortran90 Interface:
|
||||
* @htmlonly
|
||||
* <CODE>
|
||||
@ -797,9 +813,13 @@ Headings
|
||||
|
||||
|
||||
/**
|
||||
* Sets the dump string flag on or off
|
||||
* @param id The instance id returned from CreateIPhreeqc.
|
||||
* Sets the dump string flag on or off. This flag controls whether or not the data normally sent
|
||||
* to the dump file is stored in a buffer for later retrieval. The default 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.
|
||||
* @par Fortran90 Interface:
|
||||
* @htmlonly
|
||||
* <CODE>
|
||||
@ -816,9 +836,13 @@ Headings
|
||||
|
||||
|
||||
/**
|
||||
* Sets the error flag on or off.
|
||||
* @param id The instance id returned from CreateIPhreeqc.
|
||||
* Sets the error flag on or off. This flag controls whether or not
|
||||
* error messages are written to the phreeqc.err file. The default 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>phreeqc.err</B> file.
|
||||
* @retval IPQ_OK Success
|
||||
* @retval IPQ_BADINSTANCE The given id is invalid.
|
||||
* @par Fortran90 Interface:
|
||||
* @htmlonly
|
||||
* <CODE>
|
||||
@ -835,11 +859,14 @@ Headings
|
||||
|
||||
|
||||
/**
|
||||
* Sets the log flag on or off
|
||||
* @param id The instance id returned from CreateIPhreeqc.
|
||||
* Sets the log flag on or off. This flag controls whether or not phreeqc
|
||||
* writes log messages to the phreeqc.log file. The default 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>phreeqc.log</B> file.
|
||||
* @retval IPQ_OK Success
|
||||
* @retval IPQ_BADINSTANCE The given id is invalid.
|
||||
* @see GetLogOn
|
||||
* @return IPQ_OK on success
|
||||
* @par Fortran90 Interface:
|
||||
* @htmlonly
|
||||
* <CODE>
|
||||
@ -857,9 +884,13 @@ Headings
|
||||
|
||||
|
||||
/**
|
||||
* Sets the output flag on or off
|
||||
* @param id The instance id returned from CreateIPhreeqc.
|
||||
* Sets the output flag on or off. This flag controls whether or not phreeqc
|
||||
* writes output to phreeqc.out. This output is the output normally generated
|
||||
* when phreeqc is run. The default 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>phreeqc.out</B> file.
|
||||
* @retval IPQ_OK Success
|
||||
* @retval IPQ_BADINSTANCE The given id is invalid.
|
||||
* @par Fortran90 Interface:
|
||||
* @htmlonly
|
||||
* <CODE>
|
||||
@ -877,9 +908,12 @@ Headings
|
||||
|
||||
|
||||
/**
|
||||
* Sets the selected_output flag on or off
|
||||
* @param id The instance id returned from CreateIPhreeqc.
|
||||
* Sets the selected output flag on or off. This flag controls whether or not phreeqc writes output to
|
||||
* the selected output file. The default 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>selected.out</B> if unspecified) file.
|
||||
* @retval IPQ_OK Success
|
||||
* @retval IPQ_BADINSTANCE The given id is invalid.
|
||||
* @par Fortran90 Interface:
|
||||
* @htmlonly
|
||||
* <CODE>
|
||||
@ -898,12 +932,14 @@ Headings
|
||||
|
||||
|
||||
/**
|
||||
* Unload any database currently loaded into phreeqc.
|
||||
* @param id The instance id returned from CreateIPhreeqc.
|
||||
* Unloads any database currently loaded into phreeqc. In addition, all
|
||||
* previous phreeqc definitions (ie SOLUTIONS, EXCHANGERS, etc) are cleared from memory.
|
||||
* @param id The instance id returned from \ref CreateIPhreeqc.
|
||||
* @remarks
|
||||
* Any previous database definitions are cleared.
|
||||
* Use of the method is not normally necessary. It is called automatically
|
||||
* before each call to \ref LoadDatabase or \ref LoadDatabaseString.
|
||||
*/
|
||||
DLL_EXPORT int UnLoadDatabase(int id);
|
||||
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);
|
||||
|
||||
@ -38,68 +38,449 @@ class DLL_EXPORT IPhreeqcStop : std::exception
|
||||
class DLL_EXPORT IPhreeqc
|
||||
{
|
||||
public:
|
||||
/**
|
||||
* Default Constructor.
|
||||
*/
|
||||
IPhreeqc(void);
|
||||
|
||||
/**
|
||||
* Destructor
|
||||
*/
|
||||
~IPhreeqc(void);
|
||||
|
||||
public:
|
||||
|
||||
/**
|
||||
* Retrieves the error messages from the last call to \ref RunAccumulated, \ref RunFile, \ref LoadDatabase, or \ref LoadDatabaseString.
|
||||
*/
|
||||
const char* GetErrorString(void);
|
||||
|
||||
/**
|
||||
* Retrieves the warning messages from the last call to \ref RunAccumulated, \ref RunFile, \ref LoadDatabase, or \ref LoadDatabaseString.
|
||||
*/
|
||||
const char* GetWarningString(void);
|
||||
|
||||
/**
|
||||
* Retrieves the string buffer containing <b>DUMP</b> output.
|
||||
* @pre \ref SetDumpStringOn must have been set to true in order to recieve <b>DUMP</b> output.
|
||||
* @see SetDumpStringOn
|
||||
*/
|
||||
const char* GetDumpString(void);
|
||||
|
||||
/**
|
||||
* Load the specified database file into phreeqc.
|
||||
* @param filename The name of the phreeqc database to load.
|
||||
* The full path will be required if the file is not
|
||||
* in the current working directory.
|
||||
* @return The number of errors encountered.
|
||||
* @remarks
|
||||
* Any previous database definitions are cleared.
|
||||
*/
|
||||
int LoadDatabase(const char* filename);
|
||||
|
||||
/**
|
||||
* Load the specified string as a database into phreeqc.
|
||||
* @param input String containing data to be used as the phreeqc database.
|
||||
* @return The number of errors encountered.
|
||||
* @remarks
|
||||
* Any previous database definitions are cleared.
|
||||
*/
|
||||
int LoadDatabaseString(const char* input);
|
||||
|
||||
/**
|
||||
* Unloads any database currently loaded into phreeqc. In addition, all
|
||||
* previous phreeqc definitions (ie SOLUTIONS, EXCHANGERS, etc) are cleared from memory.
|
||||
* @remarks
|
||||
* Use of the method is not normally necessary. It is called automatically
|
||||
* before each call to \ref LoadDatabase or \ref LoadDatabaseString.
|
||||
*/
|
||||
void UnLoadDatabase(void);
|
||||
|
||||
/**
|
||||
* Appends the given error message and increments the error count.
|
||||
* Internally used to create an error condition.
|
||||
* @param error_msg The error message to display.
|
||||
* @returns The current error count.
|
||||
*/
|
||||
size_t AddError(const char* error_msg);
|
||||
|
||||
/**
|
||||
* Appends the given warning message and increments the warning count.
|
||||
* Internally used to create an error condition.
|
||||
* @param warning_msg The warning message to display.
|
||||
* @returns The current warning count.
|
||||
*/
|
||||
size_t AddWarning(const char* warning_msg);
|
||||
|
||||
/**
|
||||
* Runs the accumulated input sent to AccumulateLine.
|
||||
* @return The number of errors encountered.
|
||||
* @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.
|
||||
*/
|
||||
int RunAccumulated(void);
|
||||
|
||||
/**
|
||||
* Runs the specified phreeqc input file.
|
||||
* @param filename The name of the phreeqc input file to run.
|
||||
* @return The number of errors encountered during the run.
|
||||
* @pre \ref LoadDatabase/\ref LoadDatabaseString must have been called and returned 0 (zero) errors.
|
||||
*/
|
||||
int RunFile(const char* filename);
|
||||
|
||||
/**
|
||||
* Runs the specified string as input to phreeqc.
|
||||
* @param input String containing phreeqc input.
|
||||
* @return The number of errors encountered during the run.
|
||||
* @pre \ref LoadDatabase/\ref LoadDatabaseString must have been called and returned 0 (zero) errors.
|
||||
*/
|
||||
int RunString(const char* input);
|
||||
|
||||
/**
|
||||
* Returns the number of rows currently contained within selected_output.
|
||||
* @see GetSelectedOutputColumnCount, GetSelectedOutputValue
|
||||
*/
|
||||
int GetSelectedOutputRowCount(void)const;
|
||||
|
||||
/**
|
||||
* Returns the number of columns currently contained within selected_output.
|
||||
* @see GetSelectedOutputRowCount, GetSelectedOutputValue
|
||||
*/
|
||||
int GetSelectedOutputColumnCount(void)const;
|
||||
|
||||
/**
|
||||
* Returns the \c VAR associated with the specified row and column.
|
||||
* @param row The row index.
|
||||
* @param col The column index.
|
||||
* @param pVAR Pointer to the \c VAR to recieve the requested data.
|
||||
* @retval VR_OK Success
|
||||
* @retval VR_INVALIDROW The given row is out of range.
|
||||
* @retval VR_INVALIDCOL The given column is out of range.
|
||||
* @retval VR_OUTOFMEMORY Memory could not be allocated.
|
||||
* @retval VR_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
|
||||
*/
|
||||
VRESULT GetSelectedOutputValue(int row, int col, VAR* pVAR);
|
||||
|
||||
/**
|
||||
* Output the error messages normally stored in the phreeqc.err file to stdout.
|
||||
*/
|
||||
void OutputError(void);
|
||||
|
||||
/**
|
||||
* Output the warning messages to stdout.
|
||||
*/
|
||||
void OutputWarning(void);
|
||||
|
||||
/**
|
||||
* Output the accumulated input to stdout. This is the input that will be
|
||||
* used for the next call to RunAccumulated.
|
||||
*/
|
||||
void OutputLines(void);
|
||||
|
||||
/**
|
||||
* Retrieve the accumulated input string. This is the input that will be
|
||||
* used for input to RunAccumulated.
|
||||
* @returns The accumulated input string.
|
||||
*/
|
||||
const std::string& GetAccumulatedLines(void);
|
||||
|
||||
/**
|
||||
* Clears the accumulated input. Input is accumulated from calls to \ref AccumulateLine.
|
||||
*/
|
||||
void ClearAccumulatedLines(void);
|
||||
|
||||
/**
|
||||
* Accumlulate line(s) for input to phreeqc.
|
||||
* @param line The line(s) to add for input to phreeqc.
|
||||
* @retval VR_OK Success
|
||||
* @retval VR_OUTOFMEMORY Out of memory
|
||||
*/
|
||||
VRESULT AccumulateLine(const char *line);
|
||||
|
||||
/**
|
||||
* Retrieves the number of lines in the current dump string buffer.
|
||||
* @return The number of lines.
|
||||
* @see GetDumpLineCount, SetDumpStringOn
|
||||
*/
|
||||
int GetDumpLineCount(void)const;
|
||||
|
||||
/**
|
||||
* Retrieves the given dump line.
|
||||
* @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.
|
||||
* @see GetDumpLineCount, SetDumpStringOn
|
||||
*/
|
||||
const char* GetDumpLine(int n);
|
||||
|
||||
/**
|
||||
* Retrieves the number of lines in the current error string buffer.
|
||||
* @see GetErrorLine
|
||||
*/
|
||||
int GetErrorLineCount(void)const;
|
||||
|
||||
/**
|
||||
* Retrieves the given error line.
|
||||
* @param n The zero-based index of the line to retrieve.
|
||||
* @see GetErrorLineCount
|
||||
*/
|
||||
const char* GetErrorLine(int n);
|
||||
|
||||
/**
|
||||
* Retrieves the number of lines in the current warning string buffer.
|
||||
*/
|
||||
int GetWarningLineCount(void)const;
|
||||
|
||||
/**
|
||||
* Retrieves the current value of the dump flag.
|
||||
* @param n The zero-based index of the line to retrieve.
|
||||
* @see GetWarningLineCount, OutputWarning
|
||||
*/
|
||||
const char* GetWarningLine(int n);
|
||||
|
||||
/**
|
||||
* Retrieves a list containg the current list of components.
|
||||
* @return The current list of components.
|
||||
*/
|
||||
std::list< std::string > ListComponents(void);
|
||||
|
||||
/**
|
||||
* Retrieves the number of components in the current simulation.
|
||||
* @return The current count of components.
|
||||
* @see GetComponent
|
||||
*/
|
||||
size_t GetComponentCount(void);
|
||||
|
||||
/**
|
||||
* Retrieves the given component.
|
||||
* @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, ListComponents
|
||||
*/
|
||||
const char* GetComponent(int n);
|
||||
|
||||
/**
|
||||
* Retrieves the current value of the dump flag.
|
||||
* @see SetDumpOn
|
||||
*/
|
||||
bool GetDumpOn(void)const;
|
||||
|
||||
/**
|
||||
* Sets the dump flag on or off. This flag controls whether or not phreeqc writes to the dump file.
|
||||
* The default is false.
|
||||
* @param bValue If true turns on output to the <B>DUMP</B> (<B>dump.out</B> if unspecified) file.
|
||||
* @see GetDumpOn
|
||||
*/
|
||||
void SetDumpOn(bool bValue);
|
||||
|
||||
/**
|
||||
* Retrieves the current value of the dump string flag.
|
||||
* @see SetDumpStringOn, GetDumpString
|
||||
*/
|
||||
bool GetDumpStringOn(void)const;
|
||||
|
||||
/**
|
||||
* Sets the dump string flag on or off. This flag controls whether or not the data normally sent
|
||||
* to the dump file is stored in a buffer for later retrieval. The default is false.
|
||||
* @param bValue If true captures the output defined by the <B>DUMP</B> keyword into a string buffer.
|
||||
* @see GetDumpStringOn, GetDumpString
|
||||
*/
|
||||
void SetDumpStringOn(bool bValue);
|
||||
|
||||
/**
|
||||
* Retrieves the current value of the error flag.
|
||||
* @see SetErrorOn
|
||||
*/
|
||||
bool GetErrorOn(void)const;
|
||||
|
||||
/**
|
||||
* Sets the error flag on or off. This flag controls whether or not
|
||||
* error messages are written to the phreeqc.err file. The default is false.
|
||||
* @param bValue If true turns on output to the <B>phreeqc.err</B> file.
|
||||
*/
|
||||
void SetErrorOn(bool bValue);
|
||||
|
||||
/**
|
||||
* Retrieves the current value of the log flag.
|
||||
* @see SetLogOn
|
||||
*/
|
||||
bool GetLogOn(void)const;
|
||||
|
||||
/**
|
||||
* Sets the log flag on or off. This flag controls whether or not phreeqc
|
||||
* writes log messages to the phreeqc.log file. The default is false.
|
||||
* @param bValue If true turns on output to the <B>phreeqc.log</B> file.
|
||||
* @see GetLogOn
|
||||
*/
|
||||
void SetLogOn(bool bValue);
|
||||
|
||||
/**
|
||||
* Retrieves the current value of the output flag.
|
||||
* @see SetOutputOn
|
||||
*/
|
||||
bool GetOutputOn(void)const;
|
||||
|
||||
/**
|
||||
* Sets the output flag on or off. This flag controls whether or not phreeqc
|
||||
* writes output to phreeqc.out. This output is the output normally generated
|
||||
* when phreeqc is run. The default is false.
|
||||
* @param bValue If true turns on output to the <B>phreeqc.out</B> file.
|
||||
*/
|
||||
void SetOutputOn(bool bValue);
|
||||
|
||||
/**
|
||||
* Retrieves the selected_output flag.
|
||||
* @see SetSelectedOutputOn
|
||||
*/
|
||||
bool GetSelectedOutputOn(void)const;
|
||||
|
||||
/**
|
||||
* Sets the selected output flag on or off. This flag controls whether or not phreeqc writes output to
|
||||
* the selected output file. The default is false.
|
||||
* @param bValue If trun turns on output to the <B>SELECTED_OUTPUT</B> (<B>selected.out</B> if unspecified) file.
|
||||
*/
|
||||
void SetSelectedOutputOn(bool bValue);
|
||||
|
||||
protected:
|
||||
@ -148,17 +529,22 @@ protected:
|
||||
std::list< std::string > Components;
|
||||
|
||||
private:
|
||||
Phreeqc* PhreeqcPtr;
|
||||
|
||||
#if defined(CPPUNIT)
|
||||
friend class TestIPhreeqc;
|
||||
friend class TestSelectedOutput;
|
||||
#endif
|
||||
Phreeqc* PhreeqcPtr;
|
||||
|
||||
private:
|
||||
// copy ctor not supported
|
||||
/**
|
||||
* Copy constructor not supported
|
||||
*/
|
||||
IPhreeqc(const IPhreeqc&);
|
||||
|
||||
// operator= not supported
|
||||
/**
|
||||
* operator= not supported
|
||||
*/
|
||||
IPhreeqc& operator=(const IPhreeqc&);
|
||||
};
|
||||
|
||||
|
||||
Loading…
x
Reference in New Issue
Block a user