/*! @file IPhreeqc.hpp @brief C++ Documentation */ #ifndef INC_IPHREEQC_HPP #define INC_IPHREEQC_HPP #include #include #include #include #include #include "IPhreeqcCallbacks.h" /* PFN_PRERUN_CALLBACK, PFN_POSTRUN_CALLBACK, PFN_CATCH_CALLBACK */ #include "Var.h" /* VRESULT */ #include "PHRQ_io.h" #if defined(_WINDLL) #define IPQ_DLL_EXPORT __declspec(dllexport) #else #define IPQ_DLL_EXPORT #endif class Phreeqc; class IErrorReporter; class CSelectedOutput; class SelectedOutput; /** * @class IPhreeqcStop * * @brief This class is derived from std::exception and is thrown * when an unrecoverable error has occured. */ class IPQ_DLL_EXPORT IPhreeqcStop : public std::exception { public: const char *what() const {return "Failure in IPhreeqc\n";} }; /** * @class IPhreeqc * * @brief Provides an interface to PHREEQC (Version 3)--A Computer * Program for Speciation, Batch-Reaction, One-Dimensional Transport, * and Inverse Geochemical Calculations */ class IPQ_DLL_EXPORT IPhreeqc : public PHRQ_io { public: /** * Constructor. * @anchor IPhreeqc_cpp * @par Example: * @include IPhreeqc.cpp */ IPhreeqc(void); /** * Destructor */ virtual ~IPhreeqc(void); public: /** * 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 * @see ClearAccumulatedLines, OutputAccumulatedLines, RunAccumulated */ VRESULT AccumulateLine(const char *line); /** * 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. * @return The current error count. * @see GetErrorString, GetErrorStringLine, GetErrorStringLineCount, OutputErrorString */ size_t AddError(const char* error_msg); /** * Appends the given warning message and increments the warning count. * Internally used to create a warning condition. * @param warning_msg The warning message to display. * @return The current warning count. * @see GetWarningString, GetWarningStringLine, GetWarningStringLineCount, OutputWarningString */ size_t AddWarning(const char* warning_msg); /** * Clears the accumulated input buffer. Input buffer is accumulated from calls to @ref AccumulateLine. * @see AccumulateLine, GetAccumulatedLines, OutputAccumulatedLines, RunAccumulated */ void ClearAccumulatedLines(void); /** * Retrieve the accumulated input string. The accumulated input string can be run * with @ref RunAccumulated. * @return The accumulated input string. * @see AccumulateLine, ClearAccumulatedLines, OutputAccumulatedLines, RunAccumulated */ const std::string& GetAccumulatedLines(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 number of components in the current list of components. * @return The current count of components. * @see GetComponent, ListComponents */ size_t GetComponentCount(void); /** * Retrieves the current SELECTED_OUTPUT user number. The initial setting is 1. * @return The current SELECTED_OUTPUT user number. * @see GetSelectedOutputColumnCount, GetSelectedOutputFileName, GetSelectedOutputRowCount, GetSelectedOutputString, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, GetSelectedOutputValue, SetCurrentSelectedOutputUserNumber */ int GetCurrentSelectedOutputUserNumber(void)const; /** * Retrieves the name of the dump file. This file name is used if not specified within DUMP input. * The default value is dump.id.out, where id is obtained from @ref GetId. * @return filename The name of the file to write DUMP output to. * @see GetDumpFileOn, GetDumpString, GetDumpStringOn, GetDumpStringLine, GetDumpStringLineCount, SetDumpFileName, SetDumpFileOn, SetDumpStringOn */ const char* GetDumpFileName(void)const; /** * Retrieves the current value of the dump file switch. * @retval true Output is written to the DUMP (dump.id.out if unspecified, where id is obtained from @ref GetId) file. * @retval false No output is written. * @see GetDumpStringLine, GetDumpStringLineCount, GetDumpStringOn, GetDumpString, SetDumpFileOn, SetDumpStringOn */ bool GetDumpFileOn(void)const; /** * Retrieves the string buffer containing DUMP output. * @return A null terminated string containing DUMP output. * @pre * @ref SetDumpStringOn must have been set to true in order to receive DUMP output. * @see GetDumpStringLine, GetDumpFileOn, GetDumpStringLineCount, GetDumpStringOn, SetDumpFileOn, SetDumpStringOn */ const char* GetDumpString(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. * @pre @ref SetDumpStringOn must have been set to true. * @see GetDumpFileOn, GetDumpString, GetDumpStringLineCount, GetDumpStringOn, SetDumpFileOn, SetDumpStringOn */ const char* GetDumpStringLine(int n); /** * Retrieves the number of lines in the current dump string buffer. * @return The number of lines. * @pre @ref SetDumpStringOn must have been set to true. * @see GetDumpFileOn, GetDumpString, GetDumpStringLine, GetDumpStringOn, SetDumpFileOn, SetDumpStringOn */ int GetDumpStringLineCount(void)const; /** * Retrieves the current value of the dump string switch. * @retval true Output defined by the DUMP keyword is stored. * @retval false No output is stored. * @see GetDumpFileOn, GetDumpString, GetDumpStringLine, GetDumpStringLineCount, SetDumpFileOn, SetDumpStringOn */ bool GetDumpStringOn(void)const; /** * Retrieves the name of the error file. The default value is phreeqc.id.err, where id is obtained from @ref GetId. * @return filename The name of the file to write to. * @see GetErrorFileOn, GetErrorString, GetErrorStringOn, GetErrorStringLine, GetErrorStringLineCount, SetErrorFileName, SetErrorFileOn, SetErrorStringOn */ const char* GetErrorFileName(void)const; /** * Retrieves the current value of the error file switch. * @retval true Errors are written to the phreeqc.id.err (where id is obtained from @ref GetId) file. * @retval false No errors are written. * @see SetErrorFileOn */ bool GetErrorFileOn(void)const; /** * Retrieves the error messages from the last call to @ref RunAccumulated, @ref RunFile, @ref RunString, @ref LoadDatabase, or @ref LoadDatabaseString. * @return A null terminated string containing error messages. * @see GetErrorStringLine, GetErrorStringLineCount, GetErrorFileOn, OutputErrorString, SetErrorFileOn */ const char* GetErrorString(void); /** * Retrieves the given error line. * @return A null terminated string containing the given line of the error string buffer. * @param n The zero-based index of the line to retrieve. * @see GetErrorStringLineCount, OutputErrorString */ const char* GetErrorStringLine(int n); /** * Retrieves the number of lines in the current error string buffer. * @return The number of lines. * @see GetErrorStringLine, OutputErrorString */ int GetErrorStringLineCount(void)const; /** * Retrieves the current value of the error string switch. * @retval true Error output is stored. * @retval false No error output is stored. * @see GetErrorFileOn, GetErrorString, GetErrorStringLine, GetErrorStringLineCount, SetErrorFileOn, SetErrorStringOn */ bool GetErrorStringOn(void)const; /** * Retrieves the id of this object. Each instance receives an id which is incremented for each instance * starting with the value zero. * @return The id. */ int GetId(void)const; /** * Retrieves the name of the log file. The default value is phreeqc.id.log, where id is obtained from @ref GetId. * @return filename The name of the file to write to. * @see GetLogFileOn, GetLogString, GetLogStringOn, GetLogStringLine, GetLogStringLineCount, SetLogFileName, SetLogFileOn, SetLogStringOn */ const char* GetLogFileName(void)const; /** * Retrieves the current value of the log file switch. * @retval true Log messages are written to the phreeqc.id.log (where id is obtained from @ref GetId) file. * @retval false No log messages are written. * @remarks * Logging must be enabled through the use of the KNOBS -logfile option in order to receive any log messages. * @see SetLogFileOn */ bool GetLogFileOn(void)const; /** * Retrieves the string buffer containing phreeqc log output. * @return A null terminated string containing log output. * @pre * @ref SetLogStringOn must have been set to true and enabled through the use of the KNOBS -logfile option in order to receive any log messages. * @see GetLogStringLine, GetLogFileOn, GetLogStringLineCount, GetLogStringOn, SetLogFileOn, SetLogStringOn */ const char* GetLogString(void)const; /** * Retrieves the given log 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. * @pre @ref SetLogStringOn must have been set to true and enabled through the use of the KNOBS -logfile option in order to receive any log messages. * @see GetLogFileOn, GetLogString, GetLogStringLineCount, GetLogStringOn, SetLogFileOn, SetLogStringOn */ const char* GetLogStringLine(int n)const; /** * Retrieves the number of lines in the current log string buffer. * @return The number of lines. * @pre @ref SetLogStringOn must have been set to true and enabled through the use of the KNOBS -logfile option in order to receive any log messages. * @see GetLogFileOn, GetLogString, GetLogStringLine, GetLogStringOn, SetLogFileOn, SetLogStringOn */ int GetLogStringLineCount(void)const; /** * Retrieves the current value of the log string switch. * @retval true Log output is stored. * @retval false No log output is stored. * @see GetLogFileOn, GetLogString, GetLogStringLine, GetLogStringLineCount, SetLogFileOn, SetLogStringOn */ bool GetLogStringOn(void)const; /** * Retrieves the nth user number of the currently defined SELECTED_OUTPUT blocks. * @param n The zero-based index of the SELECTED_OUTPUT user number to retrieve. * @return The nth defined user number; a negative value indicates an error occured. * @see GetCurrentSelectedOutputUserNumber, GetSelectedOutputCount, SetCurrentSelectedOutputUserNumber */ int GetNthSelectedOutputUserNumber(int n)const; /** * Retrieves the name of the output file. The default value is phreeqc.id.out, where id is obtained from @ref GetId. * @return filename The name of the file to write phreeqc output to. * @see GetOutputFileOn, GetOutputString, GetOutputStringOn, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileName, SetOutputFileOn, SetOutputStringOn */ const char* GetOutputFileName(void)const; /** * Retrieves the current value of the output file switch. * @retval true Output is written to the phreeqc.id.out (where id is obtained from @ref GetId) file. * @retval false No output is written. * @see GetOutputFileOn, GetOutputString, GetOutputStringOn, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileName, SetOutputFileOn, SetOutputStringOn */ bool GetOutputFileOn(void)const; /** * Retrieves the string buffer containing phreeqc output. * @return A null terminated string containing phreeqc output. * @pre * @ref SetOutputStringOn must have been set to true in order to receive output. * @see GetOutputStringLine, GetOutputFileOn, GetOutputStringLineCount, GetOutputStringOn, SetOutputFileOn, SetOutputStringOn */ const char* GetOutputString(void)const; /** * Retrieves the given output 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. * @pre @ref SetOutputStringOn must have been set to true. * @see GetOutputFileOn, GetOutputString, GetOutputStringLineCount, GetOutputStringOn, SetOutputFileOn, SetOutputStringOn */ const char* GetOutputStringLine(int n)const; /** * Retrieves the number of lines in the current output string buffer. * @return The number of lines. * @pre @ref SetOutputStringOn must have been set to true. * @see GetOutputFileOn, GetOutputString, GetOutputStringLine, GetOutputStringOn, SetOutputFileOn, SetOutputStringOn */ int GetOutputStringLineCount(void)const; /** * Retrieves the current value of the output string switch. * @retval true Phreeqc output is stored. * @retval false No phreeqc output is stored. * @see GetOutputFileOn, GetOutputString, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileOn, SetOutputStringOn */ bool GetOutputStringOn(void)const; /** * Retrieves the number of columns in the current selected-output buffer (see @ref SetCurrentSelectedOutputUserNumber). * @return The number of columns. * @see GetCurrentSelectedOutputUserNumber, GetSelectedOutputRowCount, GetSelectedOutputValue, SetCurrentSelectedOutputUserNumber */ int GetSelectedOutputColumnCount(void)const; /** * Retrieves the count of SELECTED_OUTPUT blocks that are currently defined. * @return The number of SELECTED_OUTPUT blocks. * @see GetCurrentSelectedOutputUserNumber, GetNthSelectedOutputUserNumber, SetCurrentSelectedOutputUserNumber */ int GetSelectedOutputCount(void)const; /** * Retrieves the name of the current selected output file (see @ref SetCurrentSelectedOutputUserNumber). This file name is used if not specified within SELECTED_OUTPUT input. * The default value is selected_n.id.out, where id is obtained from @ref GetId. * @return filename The name of the file to write to. * @see GetCurrentSelectedOutputUserNumber, GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringOn, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileName, SetSelectedOutputFileOn, SetSelectedOutputStringOn */ const char* GetSelectedOutputFileName(void)const; /** * Retrieves the current selected-output file switch (see @ref SetCurrentSelectedOutputUserNumber). * @retval true Output is written to the selected-output (selected_n.id.out if unspecified, where id is obtained from @ref GetId) file. * @retval false No output is written. * @see GetSelectedOutputValue, GetSelectedOutputColumnCount, GetSelectedOutputRowCount, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn */ bool GetSelectedOutputFileOn(void)const; /** * Retrieves the number of rows in the current selected-output buffer (see @ref SetCurrentSelectedOutputUserNumber). * @return The number of rows. * @see GetCurrentSelectedOutputUserNumber, GetSelectedOutputColumnCount, GetSelectedOutputFileOn, GetSelectedOutputValue, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn */ int GetSelectedOutputRowCount(void)const; /** * Retrieves the string buffer containing SELECTED_OUTPUT for the currently selected user number (see @ref SetCurrentSelectedOutputUserNumber). * @return A null terminated string containing SELECTED_OUTPUT. * @pre * @ref SetSelectedOutputStringOn must have been set to true in order to receive SELECTED_OUTPUT. * @see GetCurrentSelectedOutputUserNumber, GetSelectedOutputStringLine, GetSelectedOutputFileOn, GetSelectedOutputStringLineCount, GetSelectedOutputStringOn, GetSelectedOutputString, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn, SetSelectedOutputStringOn */ const char* GetSelectedOutputString(void)const; /** * Retrieves the given selected output line of the currently selected user number (see @ref SetCurrentSelectedOutputUserNumber). * @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 SetSelectedOutputStringOn must have been set to true. * @see GetCurrentSelectedOutputUserNumber, GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringLineCount, GetSelectedOutputStringOn, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn, SetSelectedOutputStringOn */ const char* GetSelectedOutputStringLine(int n); /** * Retrieves the number of lines in the current selected output string buffer (see @ref SetCurrentSelectedOutputUserNumber). * @return The number of lines. * @pre @ref SetSelectedOutputStringOn must have been set to true. * @see GetCurrentSelectedOutputUserNumber, GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringLine, GetSelectedOutputStringOn, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn, SetSelectedOutputStringOn */ int GetSelectedOutputStringLineCount(void)const; /** * Retrieves the value of the current selected output string switch (see @ref SetCurrentSelectedOutputUserNumber). * @retval true Output defined by the SELECTED_OUTPUT keyword is stored. * @retval false No output is stored. * @see GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn, SetSelectedOutputStringOn */ bool GetSelectedOutputStringOn(void)const; /** * Returns the @c VAR associated with the specified row and column. The current SELECTED_OUTPUT block is set using the @ref SetCurrentSelectedOutputUserNumber method. * @param row The row index. * @param col The column index. * @param pVAR Pointer to the @c VAR to receive 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. * @see GetCurrentSelectedOutputUserNumber, GetSelectedOutputColumnCount, GetSelectedOutputFileOn, GetSelectedOutputRowCount, GetSelectedOutputValue2, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn * @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

Input Headings 
	  SELECTED_OUTPUT
		-reset false
		-totals Ca Na
	
	  Ca(mol/kgw)  Na(mol/kgw)
	
	  SELECTED_OUTPUT
		-reset false
		-molalities Fe+2 Hfo_sOZn+
	
	  m_Fe+2(mol/kgw)  m_Hfo_sOZn+(mol/kgw)
	
	  SELECTED_OUTPUT
		-reset false
		-activities H+ Ca+2
	
	  la_H+  la_Ca+2
	
	  SELECTED_OUTPUT
		-reset false
		-equilibrium_phases Calcite Dolomite
	
	  Calcite  d_Calcite  Dolomite  d_Dolomite
	
	  SELECTED_OUTPUT
		-reset false
		-saturation_indices CO2(g) Siderite
	
	  si_CO2(g)  si_Siderite
	
	  SELECTED_OUTPUT
		-reset false
		-gases CO2(g) N2(g)
	
	  pressure "total mol" volume g_CO2(g) g_N2(g)
	
	  SELECTED_OUTPUT
		-reset false
		-kinetic_reactants CH2O Pyrite
	
	  k_CH2O dk_CH2O k_Pyrite dk_Pyrite
	
	  SELECTED_OUTPUT
		-reset false
		-solid_solutions CaSO4 SrSO4
	
	  s_CaSO4 s_SrSO4
* @endhtmlonly */ VRESULT GetSelectedOutputValue(int row, int col, VAR* pVAR); /** * Returns the associated data with the specified row and column. The current SELECTED_OUTPUT block is set using the @ref SetCurrentSelectedOutputUserNumber method. * @param row The row index. * @param col The column index. * @param vtype Receives the variable type. See @ref VAR_TYPE. * @param dvalue Receives the numeric value when (VTYPE=@ref TT_DOUBLE) or (VTYPE=@ref TT_LONG). * @param svalue Receives 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. * @param svalue_length The length of the svalue buffer. * @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. * @see GetSelectedOutputFileOn, GetSelectedOutputColumnCount, GetSelectedOutputRowCount, GetSelectedOutputValue, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn * @remarks * Row 0 contains the column headings to the selected_ouput. * @par Examples: * See @ref GetSelectedOutputValue. */ VRESULT GetSelectedOutputValue2(int row, int col, int *vtype, double* dvalue, char* svalue, unsigned int svalue_length); /** * Retrieves the string buffer containing the version in the form of X.X.X-XXXX. * @return A null terminated string containing the IPhreeqc version number. */ static const char* GetVersionString(void); /** * Retrieves the warning messages from the last call to @ref RunAccumulated, @ref RunFile, @ref RunString, @ref LoadDatabase, or @ref LoadDatabaseString. * @return A null terminated string containing warning messages. * @see GetWarningStringLine, GetWarningStringLineCount, OutputWarningString */ const char* GetWarningString(void); /** * Retrieves the given warning line. * @param n The zero-based index of the line to retrieve. * @return A null terminated string containing the given warning line message. * @see GetWarningStringLineCount, OutputWarningString */ const char* GetWarningStringLine(int n); /** * Retrieves the number of lines in the current warning string buffer. * @return The number of lines. * @see GetWarningStringLine, GetWarningString, OutputWarningString */ int GetWarningStringLineCount(void)const; /** * Retrieves the current list of components. * @return The current list of components. * @see GetComponent, GetComponentCount */ std::list< std::string > ListComponents(void); /** * Load the specified database file into phreeqc. * @param filename The name of the phreeqc database to load. * The full path (or relative path with respect to the working directory) will be required if the file is not * in the current working directory. * @return The number of errors encountered. * @see LoadDatabaseString * @remarks * All previous 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. * @see LoadDatabaseString * @remarks * All previous definitions are cleared. */ int LoadDatabaseString(const char* input); /** * Output the accumulated input buffer to stdout. The input buffer can be run with a call to @ref RunAccumulated. * @see AccumulateLine, ClearAccumulatedLines, RunAccumulated */ void OutputAccumulatedLines(void); /** * Output the error messages normally stored in the phreeqc.id.err (where id is obtained from @ref GetId) * file to stdout. * @see GetErrorStringLine, GetErrorStringLineCount, GetErrorFileOn, SetErrorFileOn */ void OutputErrorString(void); /** * Output the warning messages to stdout. * @see GetWarningStringLine, GetWarningStringLineCount, GetWarningString */ void OutputWarningString(void); /** * Runs the input buffer as defined by calls to @ref AccumulateLine. * @return The number of errors encountered. * @see AccumulateLine, ClearAccumulatedLines, OutputAccumulatedLines, RunFile, RunString * @remarks * The accumulated input is cleared at the next call to @ref AccumulateLine. * @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. * @see RunAccumulated, RunString * @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. * @see RunAccumulated, RunFile * @pre * @ref LoadDatabase/@ref LoadDatabaseString must have been called and returned 0 (zero) errors. */ int RunString(const char* input); /** * Sets a C callback function for Basic programs. The syntax for the Basic command is * 10 result = CALLBACK(x1, x2, string$) * The syntax for the C function is * double my_callback(double x1, double x2, const char * string) * @param fcn The name of a user-defined function. * @param cookie1 A user defined value to be passed to the callback function. * @see SetBasicFortranCallback */ void SetBasicCallback(double (*fcn)(double x1, double x2, const char *str, void *cookie), void * cookie1); /** * Sets a Fortran callback function for Basic programs. The syntax for the Basic command is * 10 result = CALLBACK(x1, x2, string$) * The syntax for the Fortran function is * double precision my_callback(x1, x2, string), where x1 and x2 are double precision and string is a character variable. * @param fcn The name of a user-defined function. * @see SetBasicCallback */ #ifdef IPHREEQC_NO_FORTRAN_MODULE void SetBasicFortranCallback(double (*fcn)(double *x1, double *x2, char *str, size_t l)); #else void SetBasicFortranCallback(double (*fcn)(double *x1, double *x2, const char *str, int l)); #endif /** * Sets the current SELECTED_OUTPUT user number for use in subsequent calls to (@ref GetSelectedOutputColumnCount, * @ref GetSelectedOutputFileName, @ref GetSelectedOutputRowCount, @ref GetSelectedOutputString, @ref GetSelectedOutputStringLine, * @ref GetSelectedOutputStringLineCount, @ref GetSelectedOutputValue, @ref GetSelectedOutputValue2) routines. * The initial setting is 1. * @param n The user number as specified in the SELECTED_OUTPUT block. * @retval VR_OK Success * @retval VR_INVALIDARG The given user number has not been defined. * @see GetCurrentSelectedOutputUserNumber, GetSelectedOutputColumnCount, GetSelectedOutputFileName, GetSelectedOutputRowCount, GetSelectedOutputString, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, GetSelectedOutputValue */ VRESULT SetCurrentSelectedOutputUserNumber(int n); /** * Sets the name of the dump file. This file name is used if not specified within DUMP input. * The default value is dump.id.out, where id is obtained from @ref GetId. * @param filename The name of the file to write DUMP output to. * @see GetDumpFileName, GetDumpFileOn, GetDumpString, GetDumpStringOn, GetDumpStringLine, GetDumpStringLineCount, SetDumpStringOn */ void SetDumpFileName(const char *filename); /** * Sets the dump file switch on or off. This switch controls whether or not phreeqc writes to the DUMP (dump.id.out * if unspecified, where id is obtained from @ref GetId) file. * The initial setting is false. * @param bValue If true, turns on output to the DUMP file; * if false, turns off output to the DUMP file. * @see GetDumpFileOn, GetDumpString, GetDumpStringOn, GetDumpStringLine, GetDumpStringLineCount, SetDumpStringOn */ void SetDumpFileOn(bool bValue); /** * Sets the dump string switch on or off. This switch controls whether or not the data normally sent * to the dump file are stored in a buffer for retrieval. The initial setting is false. * @param bValue If true, captures the output defined by the DUMP keyword into a string buffer; * if false, output defined by the DUMP keyword is not captured to a string buffer. * @see GetDumpFileOn, GetDumpString, GetDumpStringOn, GetDumpStringLine, GetDumpStringLineCount, SetDumpFileOn */ void SetDumpStringOn(bool bValue); /** * Sets the name of the error file. The default value is phreeqc.id.err, where id is obtained from @ref GetId. * @param filename The name of the file to write error output to. * @see GetErrorFileName, GetErrorFileOn, GetErrorString, GetErrorStringOn, GetErrorStringLine, GetErrorStringLineCount, SetErrorFileOn, SetErrorStringOn */ void SetErrorFileName(const char *filename); /** * Sets the error file switch on or off. This switch controls whether or not * error messages are written to the phreeqc.id.err (where id is obtained from @ref GetId) file. * The initial setting is false. * @param bValue If true, writes errors to the error file; if false, no errors are written to the error file. * @see GetErrorStringLine, GetErrorStringLineCount, GetErrorFileOn, OutputErrorString */ void SetErrorFileOn(bool bValue); /** * Sets the error string switch on or off. This switch controls whether or not the data normally sent * to the error file are stored in a buffer for retrieval. The initial setting is true. * @param bValue If true, captures error output into a string buffer; if false, error output is not captured to a string buffer. * @see GetErrorFileOn, GetErrorString, GetErrorStringOn, GetErrorStringLine, GetErrorStringLineCount, SetErrorFileOn */ void SetErrorStringOn(bool bValue); /** * Sets the name of the log file. The default value is phreeqc.id.log, where id is obtained from @ref GetId. * @param filename The name of the file to write log output to. * @see GetLogFileName, GetLogFileOn, GetLogString, GetLogStringOn, GetLogStringLine, GetLogStringLineCount, SetLogFileOn, SetLogStringOn */ void SetLogFileName(const char *filename); /** * Sets the log file switch on or off. This switch controls whether or not phreeqc * writes log messages to the phreeqc.id.log (where id is obtained from @ref GetId) file. The initial setting is false. * @param bValue If true, turns on output to the log file; if false, no log messages are written to the log file. * @remarks * Logging must be enabled through the use of the KNOBS -logfile option in order to receive any log messages. * @see GetLogFileOn */ void SetLogFileOn(bool bValue); /** * Sets the log string switch on or off. This switch controls whether or not the data normally sent * to the log file are stored in a buffer for retrieval. The initial setting is false. * @param bValue If true, captures log output into a string buffer; if false, log output is not captured to a string buffer. * @see GetLogFileOn, GetLogString, GetLogStringOn, GetLogStringLine, GetLogStringLineCount, SetLogFileOn */ void SetLogStringOn(bool bValue); /** * Sets the name of the output file. The default value is phreeqc.id.out, where id is obtained from @ref GetId. * @param filename The name of the file to write phreeqc output to. * @see GetOutputFileName, GetOutputFileOn, GetOutputString, GetOutputStringOn, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileOn, SetOutputStringOn */ void SetOutputFileName(const char *filename); /** * Sets the output file switch on or off. This switch controls whether or not phreeqc * writes to the phreeqc.id.out file (where id is obtained from @ref GetId). This is the output that is normally generated * when phreeqc is run. The initial setting is false. * @param bValue If true, writes output to the output file; if false, no output is written to the output file. * @see GetOutputFileOn */ void SetOutputFileOn(bool bValue); /** * Sets the output string switch on or off. This switch controls whether or not the data normally sent * to the output file are stored in a buffer for retrieval. The initial setting is false. * @param bValue If true, captures output into a string buffer; if false, output is not captured to a string buffer. * @see GetOutputFileOn, GetOutputString, GetOutputStringOn, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileOn */ void SetOutputStringOn(bool bValue); /** * Sets the name of the current selected output file (see @ref SetCurrentSelectedOutputUserNumber). This file name is used if not specified within SELECTED_OUTPUT input. * The default value is selected_n.id.out, where id is obtained from @ref GetId. * @param filename The name of the file to write SELECTED_OUTPUT output to. * @see GetSelectedOutputFileName, GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringOn, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, SetCurrentSelectedOutputUserNumber, SetSelectedOutputStringOn */ void SetSelectedOutputFileName(const char *filename); /** * Sets the selected-output file switch on or off. This switch controls whether or not phreeqc writes output to * the current SELECTED_OUTPUT (selected_n.id.out if unspecified, where id is obtained from @ref GetId) file. * The initial setting is false. * @param bValue If true, writes output to the selected-output file; if false, no output is written to the selected-output file. * @see GetSelectedOutputColumnCount, GetSelectedOutputFileOn, GetSelectedOutputRowCount, GetSelectedOutputValue, SetCurrentSelectedOutputUserNumber */ void SetSelectedOutputFileOn(bool bValue); /** * Sets the selected output string switch on or off. This switch controls whether or not the data normally sent * to the current SELECTED_OUTPUT file (see @ref SetCurrentSelectedOutputUserNumber) are stored in a buffer for retrieval. * The initial setting is false. * @param bValue If true, captures the output defined by the SELECTED_OUTPUT keyword into a string buffer; * if false, output defined by the SELECTED_OUTPUT keyword is not captured to a string buffer. * @see GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringOn, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, SetCurrentSelectedOutputUserNumber, SetSelectedOutputFileOn */ void SetSelectedOutputStringOn(bool bValue); public: // overrides virtual void error_msg(const char *str, bool stop=false); virtual void log_msg(const char * str); virtual void output_msg(const char *str); virtual void punch_msg(const char *str); virtual void screen_msg(const char *str); virtual void warning_msg(const char *str); virtual void fpunchf(const char *name, const char *format, double d); virtual void fpunchf(const char *name, const char *format, char * d); virtual void fpunchf(const char *name, const char *format, int d); virtual void fpunchf_end_row(const char *format); virtual bool output_open(const char *file_name, std::ios_base::openmode mode = std::ios_base::out); virtual bool punch_open(const char *file_name, std::ios_base::openmode mode = std::ios_base::out, int n_user = 1); protected: int EndRow(void); void AddSelectedOutput(const char* name, const char* format, va_list argptr); void UnLoadDatabase(void); void check_database(const char* sz_routine); int close_input_files(void); int close_output_files(void); void open_output_files(const char* sz_routine); void do_run(const char* sz_routine, std::istream* pis, PFN_PRERUN_CALLBACK pfn_pre, PFN_POSTRUN_CALLBACK pfn_post, void *cookie); void update_errors(void); int load_db(const char* filename); int load_db_str(const char* filename); int test_db(void); bool get_sel_out_file_on(int n)const; std::string sel_file_name(int n_user); std::string create_file_name(const char *prefix, const char *suffix); bool get_sel_out_string_on(int n)const; protected: #if defined(_MSC_VER) /* disable warning C4251: 'identifier' : class 'type' needs to have dll-interface to be used by clients of class 'type2' */ #pragma warning(disable:4251) #endif bool DatabaseLoaded; bool ClearAccumulated; bool UpdateComponents; std::map< int, bool > SelectedOutputFileOnMap; bool OutputFileOn; bool LogFileOn; bool ErrorFileOn; bool DumpOn; bool DumpStringOn; bool OutputStringOn; std::string OutputString; std::vector< std::string > OutputLines; bool LogStringOn; std::string LogString; std::vector< std::string > LogLines; bool ErrorStringOn; IErrorReporter *ErrorReporter; std::string ErrorString; std::vector< std::string > ErrorLines; bool WarningStringOn; IErrorReporter *WarningReporter; std::string WarningString; std::vector< std::string > WarningLines; int CurrentSelectedOutputUserNumber; std::map< int, CSelectedOutput* > SelectedOutputMap; std::string StringInput; std::string DumpString; std::vector< std::string > DumpLines; std::list< std::string > Components; std::map< int, std::string > SelectedOutputFileNameMap; std::string OutputFileName; std::string ErrorFileName; std::string LogFileName; std::string DumpFileName; std::map< int, bool > SelectedOutputStringOn; std::map< int, std::string > SelectedOutputStringMap; std::map< int, std::vector< std::string > > SelectedOutputLinesMap; protected: Phreeqc* PhreeqcPtr; FILE *input_file; FILE *database_file; friend class IPhreeqcLib; static std::map Instances; static size_t InstancesIndex; size_t Index; static std::string Version; #if defined(_MSC_VER) /* reset warning C4251 */ #pragma warning(default:4251) #endif #if defined(CPPUNIT) friend class TestIPhreeqc; friend class TestSelectedOutput; #endif private: /** * Copy constructor not supported */ IPhreeqc(const IPhreeqc&); /** * operator= not supported */ IPhreeqc& operator=(const IPhreeqc&); }; #endif // INC_IPHREEQC_HPP