pyEQL 1.4.0rc9__cp312-cp312-macosx_11_0_arm64.whl

pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Form1.resX

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+<?xml version="1.0" encoding="utf-8"?>
+<root>
+  <!-- In Managed Resources,
+       set Resource File Name:
+          $(IntDir)\zdg_ui2.$(InputName).resources
+          in VS2012: compile with resgen.exe:
+          click Start, All Programs, Visual Studio 20**, Visual Studio Tools, Visual Studio Command Prompt
+          resgen path**.Form1.resX
+    -->
+  <resheader name="resmimetype">
+    <value>text/microsoft-resx</value>
+  </resheader>
+  <resheader name="version">
+    <value>2.0</value>
+  </resheader>
+  <resheader name="reader">
+    <value>System.Resources.ResXResourceReader, System.Windows.Forms, Version=4.0.0.0, Culture=neutral, PublicKeyToken=b77a5c561934e089</value>
+  </resheader>
+  <resheader name="writer">
+    <value>System.Resources.ResXResourceWriter, System.Windows.Forms, Version=4.0.0.0, Culture=neutral, PublicKeyToken=b77a5c561934e089</value>
+  </resheader>
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+  </metadata>
+  <assembly alias="System.Drawing" name="System.Drawing, Version=4.0.0.0, Culture=neutral, PublicKeyToken=b03f5f7f11d50a3a" />
+  <data name="$this.Icon" type="System.Drawing.Icon, System.Drawing" mimetype="application/x-microsoft.net.object.bytearray.base64">
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+      AAAAAAAAAAAAAAAAAAAAAAAA
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+</root>

pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/GasComp.cxx

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+// GasComp.cxx: implementation of the cxxGasComp class.
+//
+//////////////////////////////////////////////////////////////////////
+#ifdef _DEBUG
+#pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
+#endif
+#include <iostream>				// std::cout std::cerr
+#include <cassert>				// assert
+#include <algorithm>			// std::sort
+#include <float.h>
+
+#include "Utils.h"				// define first
+#include "Phreeqc.h"
+#include "GasComp.h"
+#include "phqalloc.h"
+#include "Dictionary.h"
+
+#if defined(PHREEQCI_GUI)
+#ifdef _DEBUG
+#define new DEBUG_NEW
+#undef THIS_FILE
+static char THIS_FILE[] = __FILE__;
+#endif
+#endif
+
+//////////////////////////////////////////////////////////////////////
+// Construction/Destruction
+//////////////////////////////////////////////////////////////////////
+
+cxxGasComp::cxxGasComp(PHRQ_io *io)
+	//
+	// default constructor for cxxExchComp 
+	//
+	: PHRQ_base(io)
+{
+	p_read = 0.0;
+	moles = 0.0;
+	initial_moles = 0.0;
+	p = 0.0;
+	phi = 0.0;
+	f = 0.0;
+}
+
+cxxGasComp::~cxxGasComp()
+{
+}
+
+void
+cxxGasComp::dump_raw(std::ostream & s_oss, unsigned int indent) const
+{
+	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 << "# GAS_PHASE_MODIFY candidate identifiers #\n";
+	s_oss << indent0 << "-moles                   " << this->moles << "\n";
+
+	s_oss << indent0 << "# GAS_PHASE_MODIFY candidate identifiers with new_def=true #\n";
+	s_oss << indent0 << "-p_read                  " << this->p_read << "\n";
+
+	s_oss << indent0 << "# GasComp workspace variables #\n";
+	s_oss << indent0 << "-initial_moles           " << this->initial_moles << "\n";
+	s_oss << indent0 << "-p                       " << this->p << "\n";
+	s_oss << indent0 << "-phi                     " << this->phi << "\n";
+	s_oss << indent0 << "-f                       " << this->f << "\n";
+}
+
+bool
+cxxGasComp::read_raw(CParser & parser, bool check)
+{
+	std::string str;
+
+	int errors = parser.get_input_error();
+
+	std::istream::pos_type ptr;
+	std::istream::pos_type next_char;
+	std::string token;
+
+	bool moles_defined(false);
+	int opt;
+	for (;;)
+	{
+		opt = parser.get_option(vopts, next_char);
+
+		switch (opt)
+		{
+		case CParser::OPT_EOF:
+			break;
+		case CParser::OPT_KEYWORD:
+			break;
+		case CParser::OPT_DEFAULT:
+		case CParser::OPT_ERROR:
+			opt = CParser::OPT_KEYWORD;
+			// Allow return to Exchange for more processing
+			break;
+
+		case 0:				// phase_name
+			output_msg("-phase_name is obsolete. Define with -component\n");
+			break;
+
+		case 1:				// name
+			output_msg("-name is obsolete. Define with -component\n");
+			break;
+
+		case 2:				// p_read
+			if (!(parser.get_iss() >> this->p_read))
+			{
+				this->p_read = 0;
+				parser.incr_input_error();
+				parser.error_msg("Expected numeric value for initial partial pressure.",
+								 PHRQ_io::OT_CONTINUE);
+			}
+			break;
+
+		case 3:				// moles
+			if (!(parser.get_iss() >> this->moles))
+			{
+				this->moles = 0;
+				parser.incr_input_error();
+				parser.error_msg("Expected numeric value for moles.",
+								 PHRQ_io::OT_CONTINUE);
+			}
+			moles_defined = true;
+			break;
+
+		case 4:				// initial_moles
+			if (!(parser.get_iss() >> this->initial_moles))
+			{
+				this->initial_moles = 0;
+				parser.incr_input_error();
+				parser.error_msg("Expected numeric value for initial_moles.",
+								 PHRQ_io::OT_CONTINUE);
+			}
+			break;
+
+		case 5:				// p
+			if (!(parser.get_iss() >> this->p))
+			{
+				this->p = 0;
+				parser.incr_input_error();
+				parser.error_msg("Expected numeric value for pressure.",
+					PHRQ_io::OT_CONTINUE);
+			}
+			break;
+
+		case 6:				// phi
+			if (!(parser.get_iss() >> this->phi))
+			{
+				this->phi = 0;
+				parser.incr_input_error();
+				parser.error_msg("Expected numeric value for phi.",
+					PHRQ_io::OT_CONTINUE);
+			}
+			break;
+
+		case 7:				// f
+			if (!(parser.get_iss() >> this->f))
+			{
+				this->f = 0;
+				parser.incr_input_error();
+				parser.error_msg("Expected numeric value for f.",
+					PHRQ_io::OT_CONTINUE);
+			}
+			break;
+
+		}
+		if (opt == CParser::OPT_EOF || opt == CParser::OPT_KEYWORD)
+			break;
+	}
+	if (check)
+	{
+		// members that must be defined
+		if (moles_defined == false)
+		{
+			parser.incr_input_error();
+			parser.error_msg("Moles not defined for GasComp input.",
+				PHRQ_io::OT_CONTINUE);
+		}
+	}
+	return (parser.get_input_error() == errors);
+}
+void
+cxxGasComp::add(const cxxGasComp & addee, LDBLE extensive)
+{
+	//LDBLE ext1, ext2;
+	if (extensive == 0.0)
+		return;
+	if (addee.phase_name.size() == 0)
+		return;
+
+	double f1, f2;
+	double ext1 = this->moles;
+	double ext2 = addee.moles * extensive;
+	if (ext1 + ext2 != 0)
+	{
+		f1 = ext1 / (ext1 + ext2);
+		f2 = ext2 / (ext1 + ext2);
+	}
+	else
+	{
+		f1 = 0.5;
+		f2 = 0.5;
+	}
+
+	assert(this->phase_name == addee.phase_name);
+
+	this->p_read = this->p_read*f1 + addee.p_read * f2;
+	this->moles += addee.moles * extensive;
+	this->initial_moles += addee.initial_moles * extensive;
+	this->p = this->p * f1 + addee.p * f2;
+	this->phi = this->phi * f1 + addee.phi * f2;
+	this->f = this->f * f1 + addee.f * f2;
+}
+
+void
+cxxGasComp::multiply(LDBLE extensive)
+{
+	this->p_read *= extensive;
+	this->moles *= extensive;
+	this->initial_moles *= extensive;
+	this->p *= 1.0;
+	this->phi *= 1.0;
+	this->f *= 1.0;
+}
+void
+cxxGasComp::Serialize(Dictionary & dictionary, std::vector < int >&ints, std::vector < double >&doubles)
+{
+	ints.push_back(dictionary.Find(this->phase_name));
+	doubles.push_back(this->moles);
+	doubles.push_back(this->p_read);
+	doubles.push_back(this->initial_moles);
+	doubles.push_back(this->p);
+	doubles.push_back(this->phi);
+	doubles.push_back(this->f);
+}
+
+void
+cxxGasComp::Deserialize(Dictionary & dictionary, std::vector < int >&ints, 
+	std::vector < double >&doubles, int &ii, int &dd)
+{
+	this->phase_name = dictionary.GetWords()[ints[ii++]];
+	this->moles = doubles[dd++];
+	this->p_read = doubles[dd++];
+	this->initial_moles = doubles[dd++];
+	this->p = doubles[dd++];
+	this->phi = doubles[dd++];
+	this->f = doubles[dd++];
+}
+
+const std::vector< std::string >::value_type temp_vopts[] = {
+	std::vector< std::string >::value_type("phase_name"),	 // 0 
+	std::vector< std::string >::value_type("name"),	         // 1
+	std::vector< std::string >::value_type("p_read"),	     // 2 
+	std::vector< std::string >::value_type("moles"),	     // 3 
+	std::vector< std::string >::value_type("initial_moles"), // 4 
+	std::vector< std::string >::value_type("p"),             // 5 
+	std::vector< std::string >::value_type("phi"),           // 6 
+	std::vector< std::string >::value_type("f")              // 7 
+};									   
+const std::vector< std::string > cxxGasComp::vopts(temp_vopts, temp_vopts + sizeof temp_vopts / sizeof temp_vopts[0]);	

pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/GasComp.h

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+#if !defined(GASCOMP_H_INCLUDED)
+#define GASCOMP_H_INCLUDED
+
+#include <cassert>				// assert
+#include <map>					// std::map
+#include <string>				// std::string
+#include <list>					// std::list
+#include <vector>				// std::vector
+
+#include "NameDouble.h"
+
+class cxxGasComp: public PHRQ_base
+{
+
+  public:
+	cxxGasComp(PHRQ_io *io=NULL);
+
+	virtual ~cxxGasComp();
+
+
+	void dump_raw(std::ostream & s_oss, unsigned int indent) const;
+
+	bool read_raw(CParser & parser, bool check=true);
+
+	std::string Get_phase_name(void) const {return this->phase_name;}
+	void Set_phase_name(std::string s) {this->phase_name = s;}
+	LDBLE Get_p_read() const {return this->p_read;}
+	void Set_p_read(LDBLE t) {this->p_read = t;}
+	LDBLE Get_moles() const {return this->moles;}
+	void Set_moles(LDBLE t) {this->moles = t;}
+	LDBLE Get_p() const { return this->p; }
+	void Set_p(LDBLE t) { this->p = t; }
+	LDBLE Get_phi() const { return this->phi; }
+	void Set_phi(LDBLE t) { this->phi = t; }
+	LDBLE Get_f() const { return this->f; }
+	void Set_f(LDBLE t) { this->f = t; }
+	LDBLE Get_initial_moles() const {return this->initial_moles;}
+	void Set_initial_moles(LDBLE t) {this->initial_moles = t;}
+
+	void add(const cxxGasComp & addee, LDBLE extensive);
+	void multiply(LDBLE extensive);
+	void Serialize(Dictionary & dictionary, std::vector < int >&ints, std::vector < double >&doubles);
+	void Deserialize(Dictionary & dictionary, std::vector < int >&ints, std::vector < double >&doubles, int &ii, int &dd);
+	
+  protected:
+	std::string phase_name;
+	// GAS_PHASE_MODIFY candidates
+	LDBLE moles;
+	// GAS_PHASE_MODIFY candidates with new_def=true
+	LDBLE p_read;
+	// internal workspace
+	LDBLE initial_moles;
+	LDBLE p;
+	LDBLE phi;
+	LDBLE f;
+	const static std::vector < std::string > vopts;
+};
+
+#endif // !defined(GASCOMP_H_INCLUDED)