roughed in cxxPressure class. A lot more to do.

Added screen_msg and echo_msg to PHRQ_base.

Added screen_msg and echo_msg to PHRQ_io

Added enum to direct echo to log or output.

Switched back to 3 digit exponent in mainsubs.cpp.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5833 1feff8c3-07ed-0310-ac33-dd36852eb9cd

PHRQ_base.cxx

@@ -70,3 +70,29 @@ output_msg(const std::string & stdstr)
 		std::cout << stdstr << std::endl;
 	}
 }
+
+void PHRQ_base::
+screen_msg(const std::string & stdstr)
+{
+	if (this->io)
+	{
+		this->io->screen_msg(stdstr.c_str());
+	}
+	else
+	{
+		std::cerr << stdstr << std::endl;
+	}
+}
+
+void PHRQ_base::
+echo_msg(const std::string & stdstr)
+{
+	if (this->io)
+	{
+		this->io->echo_msg(stdstr.c_str());
+	}
+	else
+	{
+		std::cout << stdstr << std::endl;
+	}
+}

PHRQ_base.h

@@ -17,6 +17,9 @@ public:
 	void output_msg(const std::string &);
 	void error_msg(const std::string &, int stop=0);
 	void warning_msg(const std::string &);
+	void screen_msg(const std::string &);
+	void echo_msg(const std::string &);
+
 
 	void Set_io(PHRQ_io * p_io)
 	{

PHRQ_io.cpp

@@ -22,6 +22,9 @@ PHRQ_io(void)
 	punch_file_on = true;
 	error_file_on = true;
 	dump_file_on = true;
+	screen_on = true;
+	echo_on = true;
+	echo_destination = ECHO_OUTPUT;
 }
 
 PHRQ_io::
@@ -562,3 +565,31 @@ safe_close(FILE ** file_ptr)
 	}
 }
 
+/* ---------------------------------------------------------------------- */
+void PHRQ_io::
+screen_msg(const char * str)
+/* ---------------------------------------------------------------------- */
+{
+	if (screen_on)
+	{
+		fprintf(stderr, "%s", str);
+	}
+}
+/* ---------------------------------------------------------------------- */
+void PHRQ_io::
+echo_msg(const char * str)
+/* ---------------------------------------------------------------------- */
+{
+	if (echo_on)
+	{
+		switch (this->echo_destination)
+		{
+		case ECHO_LOG:
+			log_msg(str);
+			break;
+		case ECHO_OUTPUT:
+			output_msg(str);
+			break;
+		}
+	}
+}

PHRQ_io.h

@@ -90,6 +90,22 @@ public:
 	bool Get_error_file_on(void)     {return this->error_file_on;};
 	bool Get_dump_file_on(void)      {return this->dump_file_on;};
 
+	void screen_msg(const char * str);
+	void Set_screen_on(bool tf)   {this->screen_on = tf;};
+	bool Get_screen_on(void)      {return this->screen_on;};
+
+	enum ECHO_OPTION
+	{
+		ECHO_LOG,
+		ECHO_OUTPUT
+	};
+	void echo_msg(const char * str);
+	void Set_echo_on(bool tf)   {this->echo_on = tf;};
+	bool Get_echo_on(void)      {return this->echo_on;};
+	void Set_echo_destination(ECHO_OPTION eo)   {this->echo_destination = eo;};
+	ECHO_OPTION Get_echo_destination(void)      {return this->echo_destination;};
+
+
 	// data
 protected:
 	FILE *input_file;
@@ -106,6 +122,10 @@ protected:
 	bool punch_file_on;
 	bool error_file_on;
 	bool dump_file_on;
+	bool echo_on;
+	bool screen_on;
+	ECHO_OPTION echo_destination;
+
 };
 
 #endif /* _PHRQIO_H */

Phreeqc.h

@@ -37,6 +37,7 @@ class cxxExchange;
 class cxxExchComp;
 class cxxGasPhase;
 class cxxTemperature;
+class cxxPressure;
 class cxxPPassemblage;
 class cxxPPassemblageComp;
 class cxxReaction;
@@ -767,6 +768,7 @@ public:
 	int read_reaction_steps(struct irrev *irrev_ptr);
 	int read_solid_solutions(void);
 	int read_temperature(void);
+	int read_reaction_pressure(void);
 	int read_reaction_temps(struct temperature *temperature_ptr);
 	int read_save(void);
 	int read_selected_output(void);
@@ -1388,7 +1390,7 @@ protected:
 	Address Hash_multi(HashTable * Table, char *Key);
 	void ExpandTable_multi(HashTable * Table);
 public:
-	bool recursive_include(std::ifstream & input_stream, std::iostream & accumulated_stream);
+	//bool recursive_include(std::ifstream & input_stream, std::iostream & accumulated_stream);
 	int main_method(int argc, char *argv[]);
 	void set_phast(int);
 	size_t list_components(std::list<std::string> &list_c);
@@ -1424,6 +1426,12 @@ protected:
 
 	struct temperature *temperature;
 	int count_temperature;
+
+	/* ----------------------------------------------------------------------
+	*   Pressures
+	* ---------------------------------------------------------------------- */
+	std::map<int, cxxPressure *> Reaction_pressure_map;
+
 	/* ----------------------------------------------------------------------
 	*   Surface
 	* --------------------------------------------------------------------- */

Pressure.cxx

@@ -0,0 +1,351 @@
+// Pressure.cxx: implementation of the cxxPressure class.
+//
+//////////////////////////////////////////////////////////////////////
+#ifdef _DEBUG
+#pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
+#endif
+#include <cassert>				// assert
+#include <algorithm>			// std::sort
+
+#include "Utils.h"				// define first
+#include "Parser.h"
+#include "Phreeqc.h"
+#include "Pressure.h"
+#include "phqalloc.h"
+
+//////////////////////////////////////////////////////////////////////
+// Construction/Destruction
+//////////////////////////////////////////////////////////////////////
+
+cxxPressure::cxxPressure(PHRQ_io *io)
+	//
+	// default constructor for cxxPressure 
+	//
+:	cxxNumKeyword(io)
+{
+	count = 0;
+	equalIncrements = false;
+	pressures.push_back(1.0);
+}
+
+cxxPressure::~cxxPressure()
+{
+}
+void
+cxxPressure::read(CParser & parser)
+{
+	double d;
+	CParser::TOKEN_TYPE k;
+	static std::vector < std::string > vopts;
+	if (vopts.empty())
+	{
+		vopts.reserve(5);
+		vopts.push_back("pressures");	        //0
+		vopts.push_back("equal_increments");	//1
+		vopts.push_back("count");	            //2
+	}
+
+	std::istream::pos_type ptr;
+	std::istream::pos_type next_char;
+	std::string token;
+	int opt_save;
+	bool useLastLine(false);
+
+	// Read reaction_pressure number and description
+	this->read_number_description(parser);
+
+	opt_save = CParser::OPT_ERROR;
+	bool equalIncrements_defined(false);
+	bool count_defined(false);
+
+	for (;;)
+	{
+		int opt;
+		if (useLastLine == false)
+		{
+			opt = parser.get_option(vopts, next_char);
+		}
+		else
+		{
+			opt = parser.getOptionFromLastLine(vopts, next_char);
+		}
+		if (opt == CParser::OPT_DEFAULT)
+		{
+			opt = opt_save;
+		}
+		switch (opt)
+		{
+		case CParser::OPT_EOF:
+			break;
+		case CParser::OPT_KEYWORD:
+			break;
+		case CParser::OPT_DEFAULT:
+		case CParser::OPT_ERROR:
+			opt = CParser::OPT_EOF;
+			parser.error_msg("Unknown input in REACTION_PRESSURE_RAW keyword.",
+							 CParser::OT_CONTINUE);
+			parser.error_msg(parser.line().c_str(), CParser::OT_CONTINUE);
+			useLastLine = false;
+			break;
+
+		case 0:				// pressures
+			while ((k =
+					parser.copy_token(token, next_char)) == CParser::TT_DIGIT)
+			{
+				std::istringstream iss(token);
+				if (!(iss >> d))
+				{
+					parser.incr_input_error();
+					parser.error_msg("Expected numeric value for pressures.",
+									 CParser::OT_CONTINUE);
+				}
+				else
+				{
+					this->pressures.push_back(d);
+				}
+			}
+			opt_save = 0;
+			useLastLine = false;
+			break;
+
+		case 1:				// equal_increments
+			if (!(parser.get_iss() >> this->equalIncrements))
+			{
+				this->equalIncrements = 0;
+				parser.incr_input_error();
+				parser.error_msg("Expected boolean value for equalIncrements.", CParser::OT_CONTINUE);
+			}
+			opt_save = CParser::OPT_DEFAULT;
+			useLastLine = false;
+			equalIncrements_defined = true;
+			break;
+
+		case 2:				// count
+			if (!(parser.get_iss() >> this->count))
+			{
+				this->count = 0;
+				parser.incr_input_error();
+				parser.error_msg("Expected integer value for count.", CParser::OT_CONTINUE);
+			}
+			opt_save = CParser::OPT_DEFAULT;
+			useLastLine = false;
+			count_defined = true;
+			break;
+		}
+		if (opt == CParser::OPT_EOF || opt == CParser::OPT_KEYWORD)
+			break;
+	}
+	// members that must be defined
+	if (equalIncrements_defined == false)
+	{
+		parser.incr_input_error();
+		parser.error_msg("Equal_increments not defined for REACTION_PRESSURE_RAW input.", 
+			CParser::OT_CONTINUE);
+	}
+	if (count_defined == false)
+	{
+		parser.incr_input_error();
+		parser.error_msg("Count_temps not defined for REACTION_PRESSURE_RAW input.",
+			 CParser::OT_CONTINUE);
+	}
+}
+
+void
+cxxPressure::dump_raw(std::ostream & s_oss, unsigned int indent, int *n_out) const
+{
+	//const char    ERR_MESSAGE[] = "Packing temperature message: %s, element not found\n";
+	unsigned int i;
+	s_oss.precision(DBL_DIG - 1);
+	std::string indent0(""), indent1(""), indent2("");
+	for (i = 0; i < indent; ++i)
+		indent0.append(Utilities::INDENT);
+	for (i = 0; i < indent + 1; ++i)
+		indent1.append(Utilities::INDENT);
+	for (i = 0; i < indent + 2; ++i)
+		indent2.append(Utilities::INDENT);
+
+	s_oss << indent0;
+	int n_user_local = (n_out != NULL) ? *n_out : this->n_user;
+	s_oss << "REACTION_PRESSURE_RAW        " << n_user_local << " " << this->description << std::endl;
+
+	s_oss << indent1;
+	s_oss << "-count              " << this->count << std::endl;
+
+	s_oss << indent1;
+	s_oss << "-equal_increments   " << this->equalIncrements << std::endl;
+
+	// Temperature element and attributes
+
+	s_oss << indent1;
+	s_oss << "-pressures          " << std::endl;
+	{
+		int i = 0;
+		s_oss << indent2;
+		for (std::vector < double >::const_iterator it = this->pressures.begin();
+			 it != this->pressures.end(); it++)
+		{
+			if (i++ == 5)
+			{
+				s_oss << std::endl;
+				s_oss << indent2;
+				i = 0;
+			}
+			s_oss << *it << " ";
+		}
+		s_oss << std::endl;
+	}
+}
+
+void
+cxxPressure::read_raw(CParser & parser)
+{
+	double d;
+	CParser::TOKEN_TYPE k;
+	static std::vector < std::string > vopts;
+	if (vopts.empty())
+	{
+		vopts.reserve(5);
+		vopts.push_back("pressures");	        //0
+		vopts.push_back("equal_increments");	//1
+		vopts.push_back("count");	            //2
+	}
+
+	std::istream::pos_type ptr;
+	std::istream::pos_type next_char;
+	std::string token;
+	int opt_save;
+	bool useLastLine(false);
+
+	// Read reaction_pressure number and description
+	this->read_number_description(parser);
+
+	opt_save = CParser::OPT_ERROR;
+	bool equalIncrements_defined(false);
+	bool count_defined(false);
+
+	for (;;)
+	{
+		int opt;
+		if (useLastLine == false)
+		{
+			opt = parser.get_option(vopts, next_char);
+		}
+		else
+		{
+			opt = parser.getOptionFromLastLine(vopts, next_char);
+		}
+		if (opt == CParser::OPT_DEFAULT)
+		{
+			opt = opt_save;
+		}
+		switch (opt)
+		{
+		case CParser::OPT_EOF:
+			break;
+		case CParser::OPT_KEYWORD:
+			break;
+		case CParser::OPT_DEFAULT:
+		case CParser::OPT_ERROR:
+			opt = CParser::OPT_EOF;
+			parser.error_msg("Unknown input in REACTION_PRESSURE_RAW keyword.",
+							 CParser::OT_CONTINUE);
+			parser.error_msg(parser.line().c_str(), CParser::OT_CONTINUE);
+			useLastLine = false;
+			break;
+
+		case 0:				// pressures
+			while ((k =
+					parser.copy_token(token, next_char)) == CParser::TT_DIGIT)
+			{
+				std::istringstream iss(token);
+				if (!(iss >> d))
+				{
+					parser.incr_input_error();
+					parser.error_msg("Expected numeric value for pressures.",
+									 CParser::OT_CONTINUE);
+				}
+				else
+				{
+					this->pressures.push_back(d);
+				}
+			}
+			opt_save = 0;
+			useLastLine = false;
+			break;
+
+		case 1:				// equal_increments
+			if (!(parser.get_iss() >> this->equalIncrements))
+			{
+				this->equalIncrements = 0;
+				parser.incr_input_error();
+				parser.error_msg("Expected boolean value for equalIncrements.", CParser::OT_CONTINUE);
+			}
+			opt_save = CParser::OPT_DEFAULT;
+			useLastLine = false;
+			equalIncrements_defined = true;
+			break;
+
+		case 2:				// count
+			if (!(parser.get_iss() >> this->count))
+			{
+				this->count = 0;
+				parser.incr_input_error();
+				parser.error_msg("Expected integer value for count.", CParser::OT_CONTINUE);
+			}
+			opt_save = CParser::OPT_DEFAULT;
+			useLastLine = false;
+			count_defined = true;
+			break;
+		}
+		if (opt == CParser::OPT_EOF || opt == CParser::OPT_KEYWORD)
+			break;
+	}
+	// members that must be defined
+	if (equalIncrements_defined == false)
+	{
+		parser.incr_input_error();
+		parser.error_msg("Equal_increments not defined for REACTION_PRESSURE_RAW input.", 
+			CParser::OT_CONTINUE);
+	}
+	if (count_defined == false)
+	{
+		parser.incr_input_error();
+		parser.error_msg("Count_temps not defined for REACTION_PRESSURE_RAW input.",
+			 CParser::OT_CONTINUE);
+	}
+}
+#ifdef SKIP
+void
+cxxPressure::dump_xml(std::ostream & s_oss, unsigned int indent) const const
+{
+	//const char    ERR_MESSAGE[] = "Packing temperature message: %s, element not found\n";
+	unsigned int i;
+	s_oss.precision(DBL_DIG - 1);
+	std::string indent0(""), indent1(""), indent2("");
+	for (i = 0; i < indent; ++i)
+		indent0.append(Utilities::INDENT);
+	for (i = 0; i < indent + 1; ++i)
+		indent1.append(Utilities::INDENT);
+	for (i = 0; i < indent + 2; ++i)
+		indent2.append(Utilities::INDENT);
+
+	// Temperature element and attributes
+	s_oss << indent0;
+	s_oss << "<temperature " << std::endl;
+
+	s_oss << indent1;
+	s_oss << "pitzer_temperature_gammas=\"" << this->
+		pitzer_temperature_gammas << "\"" << std::endl;
+
+	// components
+	s_oss << indent1;
+	s_oss << "<component " << std::endl;
+	for (std::list < cxxPressureComp >::const_iterator it =
+		 temperatureComps.begin(); it != temperatureComps.end(); ++it)
+	{
+		it->dump_xml(s_oss, indent + 2);
+	}
+
+	return;
+}
+#endif

Pressure.h

@@ -0,0 +1,40 @@
+#if !defined(PRESSURE_H_INCLUDED)
+#define PRESSURE_H_INCLUDED
+
+#include <cassert>				// assert
+#include <map>					// std::map
+#include <string>				// std::string
+#include <list>					// std::list
+#include <vector>				// std::vector
+
+#include "NumKeyword.h"
+
+class cxxPressure:public cxxNumKeyword
+{
+
+  public:
+	cxxPressure(PHRQ_io *io=NULL);
+	cxxPressure(struct temperature *, PHRQ_io *io=NULL);
+	~cxxPressure();
+
+	//void dump_xml(std::ostream& os, unsigned int indent = 0)const;
+
+	void dump_raw(std::ostream & s_oss, unsigned int indent, int *n_out=NULL) const;
+
+	void read(CParser & parser);
+	void read_raw(CParser & parser);
+
+	std::vector<double> & Get_pressures(void) {return pressures;};
+	int Get_count(void) const {return count;};
+	void Set_count(int i) {count = i;};
+	bool Get_equalIncrements(void) const {return equalIncrements;};
+	void Set_equalIncrements(bool tf) {equalIncrements = tf;};
+
+protected:
+	std::vector < double >pressures;
+	int count;
+	bool equalIncrements;
+
+};
+
+#endif // !defined(PRESSURE_H_INCLUDED)