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git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7967 1feff8c3-07ed-0310-ac33-dd36852eb9cd
932 lines
39 KiB
C++
932 lines
39 KiB
C++
/*! @file IPhreeqc.hpp
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@brief C++ Documentation
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*/
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#ifndef INC_IPHREEQC_HPP
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#define INC_IPHREEQC_HPP
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#include <exception>
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#include <list>
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#include <vector>
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#include <map>
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#include <cstdarg>
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#include "IPhreeqcCallbacks.h" /* PFN_PRERUN_CALLBACK, PFN_POSTRUN_CALLBACK, PFN_CATCH_CALLBACK */
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#include "Var.h" /* VRESULT */
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#include "PHRQ_io.h"
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#if defined(_WINDLL)
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#define IPQ_DLL_EXPORT __declspec(dllexport)
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#else
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#define IPQ_DLL_EXPORT
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#endif
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class Phreeqc;
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class IErrorReporter;
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class CSelectedOutput;
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class SelectedOutput;
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/**
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* @class IPhreeqcStop
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*
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* @brief This class is derived from std::exception and is thrown
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* when an unrecoverable error has occured.
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*/
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class IPQ_DLL_EXPORT IPhreeqcStop : std::exception
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{
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};
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/**
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* @class IPhreeqc
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*
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* @brief Provides an interface to PHREEQC (Version 2)--A Computer
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* Program for Speciation, Batch-Reaction, One-Dimensional Transport,
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* and Inverse Geochemical Calculations
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*/
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class IPQ_DLL_EXPORT IPhreeqc : public PHRQ_io
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{
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public:
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/**
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* Constructor.
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* \anchor IPhreeqc_cpp
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* @par Example:
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* \include IPhreeqc.cpp
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*/
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IPhreeqc(void);
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/**
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* Destructor
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*/
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virtual ~IPhreeqc(void);
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public:
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/**
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* Accumlulate line(s) for input to phreeqc.
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* @param line The line(s) to add for input to phreeqc.
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* @retval VR_OK Success
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* @retval VR_OUTOFMEMORY Out of memory
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* @see ClearAccumulatedLines, OutputAccumulatedLines, RunAccumulated
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*/
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VRESULT AccumulateLine(const char *line);
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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 error_msg The error message to display.
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* @returns The current error count.
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* @see GetErrorString, GetErrorStringLine, GetErrorStringLineCount, OutputErrorString
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*/
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size_t AddError(const char* error_msg);
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/**
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* Appends the given warning message and increments the warning count.
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* Internally used to create a warning condition.
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* @param warning_msg The warning message to display.
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* @returns The current warning count.
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* @see GetWarningString, GetWarningStringLine, GetWarningStringLineCount, OutputWarningString
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*/
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size_t AddWarning(const char* warning_msg);
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/**
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* Clears the accumulated input buffer. Input buffer is accumulated from calls to \ref AccumulateLine.
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* @see AccumulateLine, GetAccumulatedLines, OutputAccumulatedLines, RunAccumulated
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*/
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void ClearAccumulatedLines(void);
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/**
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* Retrieve the accumulated input string. The accumulated input string can be run
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* with \ref RunAccumulated.
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* @returns The accumulated input string.
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* @see AccumulateLine, ClearAccumulatedLines, OutputAccumulatedLines, RunAccumulated
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*/
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const std::string& GetAccumulatedLines(void);
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/**
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* Retrieves the given component.
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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, ListComponents
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*/
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const char* GetComponent(int n);
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/**
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* Retrieves the number of components in the current list of components.
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* @return The current count of components.
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* @see GetComponent, ListComponents
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*/
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size_t GetComponentCount(void);
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/**
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* Retrieves the name of the dump file. This file name is used if not specified within <B>DUMP</B> input.
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* The default value is <B><I>dump.id.out</I></B>, where id is obtained from \ref GetId.
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* @return filename The name of the file to write <B>DUMP</B> output to.
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* @see GetDumpFileOn, GetDumpString, GetDumpStringOn, GetDumpStringLine, GetDumpStringLineCount, SetDumpFileName, SetDumpFileOn, SetDumpStringOn
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*/
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const char* GetDumpFileName(void)const;
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/**
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* Retrieves the current value of the dump file switch.
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* @retval true Output is written to the <B>DUMP</B> (<B><I>dump.id.out</I></B> if unspecified, where id is obtained from \ref GetId) file.
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* @retval false No output is written.
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* @see GetDumpStringLine, GetDumpStringLineCount, GetDumpStringOn, GetDumpString, SetDumpFileOn, SetDumpStringOn
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*/
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bool GetDumpFileOn(void)const;
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/**
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* Retrieves the string buffer containing <b>DUMP</b> output.
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* @return A null terminated string containing <b>DUMP</b> output.
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* @pre
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* \ref SetDumpStringOn must have been set to true in order to receive <b>DUMP</b> output.
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* @see GetDumpStringLine, GetDumpFileOn, GetDumpStringLineCount, GetDumpStringOn, SetDumpFileOn, SetDumpStringOn
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*/
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const char* GetDumpString(void)const;
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/**
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* Retrieves the given dump line.
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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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* @pre \ref SetDumpStringOn must have been set to true.
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* @see GetDumpFileOn, GetDumpString, GetDumpStringLineCount, GetDumpStringOn, SetDumpFileOn, SetDumpStringOn
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*/
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const char* GetDumpStringLine(int n);
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/**
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* Retrieves the number of lines in the current dump string buffer.
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* @return The number of lines.
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* @pre \ref SetDumpStringOn must have been set to true.
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* @see GetDumpFileOn, GetDumpString, GetDumpStringLine, GetDumpStringOn, SetDumpFileOn, SetDumpStringOn
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*/
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int GetDumpStringLineCount(void)const;
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/**
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* Retrieves the current value of the dump string switch.
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* @retval true Output defined by the <B>DUMP</B> keyword is stored.
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* @retval false No output is stored.
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* @see GetDumpFileOn, GetDumpString, GetDumpStringLine, GetDumpStringLineCount, SetDumpFileOn, SetDumpStringOn
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*/
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bool GetDumpStringOn(void)const;
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/**
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* Retrieves the name of the error file. The default value is <B><I>phreeqc.id.err</I></B>, where id is obtained from \ref GetId.
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* @return filename The name of the file to write to.
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* @see GetErrorFileOn, GetErrorString, GetErrorStringOn, GetErrorStringLine, GetErrorStringLineCount, SetErrorFileName, SetErrorFileOn, SetErrorStringOn
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*/
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const char* GetErrorFileName(void)const;
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/**
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* Retrieves the current value of the error file switch.
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* @retval true Errors are written to the <B><I>phreeqc.id.err</I></B> (where id is obtained from \ref GetId) file.
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* @retval false No errors are written.
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* @see SetErrorFileOn
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*/
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bool GetErrorFileOn(void)const;
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/**
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* Retrieves the error messages from the last call to \ref RunAccumulated, \ref RunFile, \ref RunString, \ref LoadDatabase, or \ref LoadDatabaseString.
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* @return A null terminated string containing error messages.
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* @see GetErrorStringLine, GetErrorStringLineCount, GetErrorFileOn, OutputErrorString, SetErrorFileOn
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*/
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const char* GetErrorString(void);
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/**
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* Retrieves the given error line.
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* @return A null terminated string containing the given line of the error string buffer.
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* @param n The zero-based index of the line to retrieve.
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* @see GetErrorStringLineCount, OutputErrorString
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*/
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const char* GetErrorStringLine(int n);
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/**
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* Retrieves the number of lines in the current error string buffer.
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* @return The number of lines.
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* @see GetErrorStringLine, OutputErrorString
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*/
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int GetErrorStringLineCount(void)const;
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/**
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* Retrieves the current value of the error string switch.
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* @retval true Error output is stored.
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* @retval false No error output is stored.
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* @see GetErrorFileOn, GetErrorString, GetErrorStringLine, GetErrorStringLineCount, SetErrorFileOn, SetErrorStringOn
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*/
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bool GetErrorStringOn(void)const;
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/**
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* Retrieves the id of this object. Each instance receives an id which is incremented for each instance
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* starting with the value zero.
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* @return The id.
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*/
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int GetId(void)const;
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/**
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* Retrieves the name of the log file. The default value is <B><I>phreeqc.id.log</I></B>, where id is obtained from \ref GetId.
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* @return filename The name of the file to write to.
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* @see GetLogFileOn, GetLogString, GetLogStringOn, GetLogStringLine, GetLogStringLineCount, SetLogFileName, SetLogFileOn, SetLogStringOn
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*/
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const char* GetLogFileName(void)const;
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/**
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* Retrieves the current value of the log file switch.
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* @retval true Log messages are written to the <B><I>phreeqc.id.log</I></B> (where id is obtained from \ref GetId) file.
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* @retval false No log messages are written.
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* @remarks
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* Logging must be enabled through the use of the KNOBS -logfile option in order to receive any log messages.
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* @see SetLogFileOn
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*/
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bool GetLogFileOn(void)const;
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/**
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* Retrieves the string buffer containing phreeqc log output.
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* @return A null terminated string containing log output.
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* @pre
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* \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.
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* @see GetLogStringLine, GetLogFileOn, GetLogStringLineCount, GetLogStringOn, SetLogFileOn, SetLogStringOn
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*/
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const char* GetLogString(void)const;
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/**
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* Retrieves the given log line.
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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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* @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.
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* @see GetLogFileOn, GetLogString, GetLogStringLineCount, GetLogStringOn, SetLogFileOn, SetLogStringOn
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*/
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const char* GetLogStringLine(int n)const;
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/**
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* Retrieves the number of lines in the current log string buffer.
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* @return The number of lines.
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* @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.
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* @see GetLogFileOn, GetLogString, GetLogStringLine, GetLogStringOn, SetLogFileOn, SetLogStringOn
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*/
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int GetLogStringLineCount(void)const;
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/**
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* Retrieves the current value of the log string switch.
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* @retval true Log output is stored.
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* @retval false No log output is stored.
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* @see GetLogFileOn, GetLogString, GetLogStringLine, GetLogStringLineCount, SetLogFileOn, SetLogStringOn
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*/
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bool GetLogStringOn(void)const;
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/**
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* Retrieves the name of the output file. The default value is <B><I>phreeqc.id.out</I></B>, where id is obtained from \ref GetId.
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* @return filename The name of the file to write phreeqc output to.
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* @see GetOutputFileOn, GetOutputString, GetOutputStringOn, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileName, SetOutputFileOn, SetOutputStringOn
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*/
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const char* GetOutputFileName(void)const;
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/**
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* Retrieves the current value of the output file switch.
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* @retval true Output is written to the <B><I>phreeqc.id.out</I></B> (where id is obtained from \ref GetId) file.
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* @retval false No output is written.
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* @see GetOutputFileOn, GetOutputString, GetOutputStringOn, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileName, SetOutputFileOn, SetOutputStringOn
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*/
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bool GetOutputFileOn(void)const;
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/**
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* Retrieves the string buffer containing phreeqc output.
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* @return A null terminated string containing phreeqc output.
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* @pre
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* \ref SetOutputStringOn must have been set to true in order to receive output.
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* @see GetOutputStringLine, GetOutputFileOn, GetOutputStringLineCount, GetOutputStringOn, SetOutputFileOn, SetOutputStringOn
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*/
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const char* GetOutputString(void)const;
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/**
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* Retrieves the given output line.
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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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* @pre \ref SetOutputStringOn must have been set to true.
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* @see GetOutputFileOn, GetOutputString, GetOutputStringLineCount, GetOutputStringOn, SetOutputFileOn, SetOutputStringOn
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*/
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const char* GetOutputStringLine(int n)const;
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/**
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* Retrieves the number of lines in the current output string buffer.
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* @return The number of lines.
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* @pre \ref SetOutputStringOn must have been set to true.
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* @see GetOutputFileOn, GetOutputString, GetOutputStringLine, GetOutputStringOn, SetOutputFileOn, SetOutputStringOn
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*/
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int GetOutputStringLineCount(void)const;
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/**
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* Retrieves the current value of the output string switch.
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* @retval true Phreeqc output is stored.
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* @retval false No phreeqc output is stored.
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* @see GetOutputFileOn, GetOutputString, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileOn, SetOutputStringOn
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*/
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bool GetOutputStringOn(void)const;
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/**
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* Retrieves the number of columns in the selected-output buffer.
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* @return The number of columns.
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* @see GetSelectedOutputRowCount, GetSelectedOutputValue
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*/
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int GetSelectedOutputColumnCount(void)const;
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/**
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* Retrieves the name of the selected output file. This file name is used if not specified within <B>SELECTED_OUTPUT</B> input.
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* The default value is <B><I>selected.id.out</I></B>, where id is obtained from \ref GetId.
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* @return filename The name of the file to write to.
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* @see GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringOn, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, SetSelectedOutputFileName, SetSelectedOutputFileOn, SetSelectedOutputStringOn
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*/
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const char* GetSelectedOutputFileName(void)const;
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/**
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* Retrieves the selected-output file switch.
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* @retval true Output is written to the selected-output (<B><I>selected.id.out</I></B> if unspecified, where id is obtained from \ref GetId) file.
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* @retval false No output is written.
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* @see GetSelectedOutputValue, GetSelectedOutputColumnCount, GetSelectedOutputRowCount, SetSelectedOutputFileOn
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*/
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bool GetSelectedOutputFileOn(void)const;
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/**
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* Retrieves the number of rows in the selected-output buffer.
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* @return The number of rows.
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* @see GetSelectedOutputColumnCount, GetSelectedOutputFileOn, GetSelectedOutputValue, SetSelectedOutputFileOn
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*/
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int GetSelectedOutputRowCount(void)const;
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/**
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* Retrieves the string buffer containing <b>SELECTED_OUTPUT</b>.
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* @return A null terminated string containing <b>SELECTED_OUTPUT</b>.
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* @pre
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* \ref SetSelectedOutputStringOn must have been set to true in order to receive <b>SELECTED_OUTPUT</b>.
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* @see GetSelectedOutputStringLine, GetSelectedOutputFileOn, GetSelectedOutputStringLineCount, GetSelectedOutputStringOn, SetSelectedOutputFileOn, SetSelectedOutputStringOn
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*/
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const char* GetSelectedOutputString(void)const;
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/**
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* Retrieves the given selected output line.
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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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* @pre \ref SetSelectedOutputStringOn must have been set to true.
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* @see GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringLineCount, GetSelectedOutputStringOn, SetSelectedOutputFileOn, SetSelectedOutputStringOn
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*/
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const char* GetSelectedOutputStringLine(int n);
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/**
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* Retrieves the number of lines in the current selected output string buffer.
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* @return The number of lines.
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* @pre \ref SetSelectedOutputStringOn must have been set to true.
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* @see GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringLine, GetSelectedOutputStringOn, SetSelectedOutputFileOn, SetSelectedOutputStringOn
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*/
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int GetSelectedOutputStringLineCount(void)const;
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/**
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* Retrieves the current value of the selected output string switch.
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* @retval true Output defined by the <B>SELECTED_OUTPUT</B> keyword is stored.
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* @retval false No output is stored.
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* @see GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, SetSelectedOutputFileOn, SetSelectedOutputStringOn
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*/
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bool GetSelectedOutputStringOn(void)const;
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/**
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* Returns the \c VAR associated with the specified row and column.
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* @param row The row index.
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* @param col The column index.
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* @param pVAR Pointer to the \c VAR to receive 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 VR_BADINSTANCE The given id is invalid.
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* @see GetSelectedOutputColumnCount, GetSelectedOutputFileOn, GetSelectedOutputRowCount, GetSelectedOutputValue2, SetSelectedOutputFileOn
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* @remarks
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* Row 0 contains the column headings to the selected_ouput.
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* @par Examples:
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* The headings will include a suffix and/or prefix in order to differentiate the
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* columns.
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* @htmlonly
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<p>
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<table border=1>
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<TR VALIGN="top">
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<TH width=65%>
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Input
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</TH>
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<TH width=35%>
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Headings
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</TH>
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</TR>
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<TR VALIGN="top">
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<TD width=65%>
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<CODE><PRE>
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SELECTED_OUTPUT
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-reset false
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-totals Ca Na
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</PRE></CODE>
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</TD>
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<TD width=35%>
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<CODE><PRE>
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Ca(mol/kgw) Na(mol/kgw)
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</PRE></CODE>
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</TD>
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</TR>
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<TR VALIGN="top">
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<TD width=65%>
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<CODE><PRE>
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SELECTED_OUTPUT
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-reset false
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-molalities Fe+2 Hfo_sOZn+
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</PRE></CODE>
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</TD>
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<TD width=35%>
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<CODE><PRE>
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m_Fe+2(mol/kgw) m_Hfo_sOZn+(mol/kgw)
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</PRE></CODE>
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</TD>
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</TR>
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<TR VALIGN="top">
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<TD width=65%>
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<CODE><PRE>
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SELECTED_OUTPUT
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-reset false
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-activities H+ Ca+2
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|
</PRE></CODE>
|
|
</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);
|
|
|
|
/**
|
|
* Returns the associated data with the specified row and column.
|
|
* @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, 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 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 <B><I>phreeqc.id.err</I></B> (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 the name of the dump file. This file name is used if not specified within <B>DUMP</B> input.
|
|
* The default value is <B><I>dump.id.out</I></B>, where id is obtained from \ref GetId.
|
|
* @param filename The name of the file to write <B>DUMP</B> 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 <B>DUMP</B> (<B><I>dump.id.out</I></B>
|
|
* if unspecified, where id is obtained from \ref GetId) file.
|
|
* The initial setting is false.
|
|
* @param bValue If true, turns on output to the <B>DUMP</B> file;
|
|
* if false, turns off output to the <B>DUMP</B> 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 <B>DUMP</B> keyword into a string buffer;
|
|
* if false, output defined by the <B>DUMP</B> 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 <B><I>phreeqc.id.err</I></B>, 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 <B><I>phreeqc.id.err</I></B> (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 <B><I>phreeqc.id.log</I></B>, 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 <B><I>phreeqc.id.log</I></B> (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 <B><I>phreeqc.id.out</I></B>, 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 <B><I>phreeqc.id.out</I></B> 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 selected output file. This file name is used if not specified within <B>SELECTED_OUTPUT</B> input.
|
|
* The default value is <B><I>selected.id.out</I></B>, where id is obtained from \ref GetId.
|
|
* @param filename The name of the file to write <B>SELECTED_OUTPUT</B> output to.
|
|
* @see GetSelectedOutputFileName, GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringOn, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, 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 <B>SELECTED_OUTPUT</B> (<B><I>selected.id.out</I></B> 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
|
|
*/
|
|
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 selected output file are stored in a buffer for retrieval. The initial setting is false.
|
|
* @param bValue If true, captures the output defined by the <B>SELECTED_OUTPUT</B> keyword into a string buffer;
|
|
* if false, output defined by the <B>SELECTED_OUTPUT</B> keyword is not captured to a string buffer.
|
|
* @see GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringOn, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, SetSelectedOutputFileOn
|
|
*/
|
|
void SetSelectedOutputStringOn(bool bValue);
|
|
|
|
|
|
/**
|
|
* Sets the selected output string switch on or off. This switch controls whether or not the data normally sent
|
|
* to the selected output file are stored in a buffer for retrieval. The initial setting is false.
|
|
* @param bValue If true, captures the output defined by the <B>SELECTED_OUTPUT</B> keyword into a string buffer;
|
|
* if false, output defined by the <B>SELECTED_OUTPUT</B> keyword is not captured to a string buffer.
|
|
* @see GetSelectedOutputFileOn, GetSelectedOutputString, GetSelectedOutputStringOn, GetSelectedOutputStringLine, GetSelectedOutputStringLineCount, SetSelectedOutputFileOn
|
|
*/
|
|
void SetCurrentSelectedOutputUserNumber(int n);
|
|
|
|
|
|
|
|
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);
|
|
|
|
std::string sel_file_name(int n_user);
|
|
|
|
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;
|
|
bool SelectedOutputFileOn;
|
|
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;
|
|
// COMMENT: {8/26/2013 10:29:19 PM} CSelectedOutput *PtrSelectedOutput;
|
|
std::map< int, CSelectedOutput* > SelectedOutputMap;
|
|
std::map< SelectedOutput*, CSelectedOutput* > CurrentSelectedOutputMap;
|
|
std::map< SelectedOutput*, std::string* > CurrentToStringMap;
|
|
// COMMENT: {8/26/2013 10:27:53 PM} std::map< class SelectedOutput*, int > InverseSelectedOutputMap;
|
|
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;
|
|
|
|
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<size_t, IPhreeqc*> Instances;
|
|
static size_t InstancesIndex;
|
|
size_t Index;
|
|
|
|
#if defined(_MSC_VER)
|
|
/* reset warning C4251 */
|
|
#pragma warning(default:4251)
|
|
#endif
|
|
|
|
#if defined(CPPUNIT)
|
|
friend class TestIPhreeqc;
|
|
friend class TestSelectedOutput;
|
|
#endif
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private:
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/**
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* Copy constructor not supported
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*/
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IPhreeqc(const IPhreeqc&);
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/**
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* operator= not supported
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*/
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IPhreeqc& operator=(const IPhreeqc&);
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};
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#endif // INC_IPHREEQC_HPP
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