files moved to Cantera/cxx/include
This commit is contained in:
Dave Goodwin
parent
6af87772a1
commit
ce93fff649
15 changed files with 3 additions and 637 deletions
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@ -1,25 +0,0 @@
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#ifndef CANTERA_H_INCL
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#define CANTERA_H_INCL
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namespace std{}
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using namespace std;
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// definitions
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#include "kernel/ct_defs.h"
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// some useful functions
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#include "kernel/global.h"
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// the CanteraError exception class
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#include "kernel/ctexceptions.h"
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using namespace Cantera;
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#endif
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@ -1,43 +0,0 @@
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#ifndef CXX_IDEALGASMIX
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#define CXX_IDEALGASMIX
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#include <string>
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#include "kernel/IdealGasPhase.h"
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#include "kernel/GRI_30_Kinetics.h"
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#include "kernel/importCTML.h"
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namespace Cantera {
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class GRI30 :
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public IdealGasPhase, public GRI_30_Kinetics
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{
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public:
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GRI30() : m_ok(false), m_r(0) {
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m_r = get_XML_File("gri30.xml");
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m_ok = buildSolutionFromXML(*m_r, "gri30", "phase", this, this);
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if (!m_ok) throw CanteraError("GRI30",
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"buildSolutionFromXML returned false");
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}
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virtual ~GRI30() {}
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bool operator!() { return !m_ok;}
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bool ready() { return m_ok; }
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friend ostream& operator<<(ostream& s, GRI30& mix) {
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string r = report(mix, true);
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s << r;
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return s;
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}
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protected:
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bool m_ok;
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XML_Node* m_r;
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private:
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};
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}
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#endif
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@ -1,49 +0,0 @@
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#ifndef CXX_IDEALGASMIX
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#define CXX_IDEALGASMIX
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#include <string>
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#include "kernel/IdealGasPhase.h"
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#include "kernel/GasKinetics.h"
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#include "kernel/importCTML.h"
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namespace Cantera {
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class IdealGasMix :
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public IdealGasPhase, public GasKinetics
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{
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public:
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IdealGasMix(string infile, string id="") : m_ok(false), m_r(0) {
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m_r = get_XML_File(infile);
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if (id == "-") id = "";
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m_ok = buildSolutionFromXML(*m_r, id, "phase", this, this);
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if (!m_ok) throw CanteraError("IdealGasMix",
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"buildSolutionFromXML returned false");
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}
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IdealGasMix(XML_Node& root, string id) : m_ok(false), m_r(0) {
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m_ok = buildSolutionFromXML(root, id, "phase", this, this);
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}
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virtual ~IdealGasMix() {}
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bool operator!() { return !m_ok;}
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bool ready() { return m_ok; }
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friend ostream& operator<<(ostream& s, IdealGasMix& mix) {
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string r = report(mix, true);
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s << r;
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return s;
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}
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protected:
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bool m_ok;
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XML_Node* m_r;
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private:
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};
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}
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#endif
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@ -1,47 +0,0 @@
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#ifndef CXX_INTERFACE
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#define CXX_INTERFACE
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#include <string>
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#include "kernel/SurfPhase.h"
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#include "kernel/InterfaceKinetics.h"
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#include "kernel/importCTML.h"
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namespace Cantera {
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class Interface :
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public SurfPhase, public InterfaceKinetics
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{
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public:
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Interface(string infile, string id, vector<ThermoPhase*> phases)
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: m_ok(false), m_r(0) {
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m_r = get_XML_File(infile);
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if (id == "-") id = "";
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XML_Node* x = get_XML_Node("#"+id, m_r);
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if (!x)
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throw CanteraError("Interface","error in get_XML_Node");
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importPhase(*x, this);
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phases.push_back(this);
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importKinetics(*x, phases, this);
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m_ok = true;
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}
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virtual ~Interface() {}
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bool operator!() { return !m_ok;}
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bool ready() { return m_ok; }
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protected:
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bool m_ok;
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XML_Node* m_r;
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private:
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};
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}
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#endif
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@ -1,4 +1,7 @@
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NOTE: The header files that used to be located here are now in
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Cantera/cxx/include.
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The header files in this directory are for use in C++ application
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programs that use Cantera. The Cantera kernel itself does not use these
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header files. The kernel header files are kept in the same directory
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@ -1,92 +0,0 @@
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/**
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* @file ctml.h
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*
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* CTML ("Cantera Markup Language") is the variant of XML that Cantera uses
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* to store data. These functions read and write it.
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*
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* see also: importCTML, ck2ctml.
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*/
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/* $Author$
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* $Revision$
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* $Date$
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*/
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// Copyright 2002 California Institute of Technology
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#ifndef CT_CTML_H
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#define CT_CTML_H
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#include "ct_defs.h"
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#include "xml.h"
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using namespace Cantera;
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namespace ctml {
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bool isBuiltin(string nm);
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void addBool(XML_Node& node,
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string title,
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bool val);
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void addInteger(XML_Node& node,
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string title,
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int val,
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string units="",
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string type="");
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void addFloat(XML_Node& node,
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string title,
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doublereal val,
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string units="",
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string type="",
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doublereal minval = Undef,
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doublereal maxval = Undef);
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void addIntegerArray(XML_Node& node,
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string title,
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int n,
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const int* vals,
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string units="",
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string type="",
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doublereal minval=Undef,
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doublereal maxval=Undef);
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void addFloatArray(XML_Node& node,
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string title,
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int n,
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const double* vals,
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string units="",
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string type="",
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doublereal minval = Undef,
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doublereal maxval = Undef);
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void addString(XML_Node& node,
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string title,
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string val,
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string type="");
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void getFloatArray(XML_Node& node,
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vector_fp& v, bool convert=true);
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void getStringArray(XML_Node& node, vector<string>& v);
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void getMap(XML_Node& node, map<string, string>& m);
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void getPairs(XML_Node& node, vector<string>& key, vector<string>& val);
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void getIntegers(XML_Node& node, map<string,int>& v);
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void getFloats(XML_Node& node, map<string,double>& v, bool convert=true);
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doublereal getFloat(XML_Node& parent, string name, string type="");
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void getStrings(XML_Node& node, map<string,string>& v);
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void getFunction(XML_Node& node, string& type, doublereal& xmin,
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doublereal& xmax, vector_fp& coeffs);
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XML_Node* getByTitle(XML_Node& node, string title);
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void getString(XML_Node& node, string title, string& val,
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string& type);
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string getString(XML_Node& parent, string name);
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}
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#endif
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/*
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* header file providing support for chemical equilibrium.
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*/
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#ifndef CT_EQUIL_INCL
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#define CT_EQUIL_INCL
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#include "kernel/ChemEquil.h"
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#endif
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@ -1,6 +0,0 @@
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#ifndef CT_INTEG_H_INCL
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#define CT_INTEG_H_INCL
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#include "kernel/CVode.h"
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#endif
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@ -1,320 +0,0 @@
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/**
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* @file Kinetics.h
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*
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* $Author$
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* $Revision$
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* $Date$
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*/
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// Copyright 2001 California Institute of Technology
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/**
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* @defgroup kineticsGroup Kinetics
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*/
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#ifndef CT_KINETICS_H
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#define CT_KINETICS_H
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#include "ctexceptions.h"
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//#include "Phase.h"
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#include "ThermoPhase.h"
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namespace Cantera {
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class ReactionData;
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/**
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* Public interface for kinetics managers. This class serves as a
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* base class to derive 'kinetics managers', which are classes
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* that manage homogeneous chemistry within one phase.
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*/
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class Kinetics {
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public:
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// typedefs
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typedef ThermoPhase thermo_t;
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/// Constructor.
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Kinetics() : m_ii(0), m_thermo(0), m_index(-1) {}
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Kinetics(thermo_t* thermo)
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: m_ii(0), m_index(-1) {
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if (thermo) {
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m_start.push_back(0);
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m_thermo.push_back(thermo);
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}
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}
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/// Destructor. Does nothing.
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virtual ~Kinetics() {} // delete m_xml; }
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int index(){ return m_index; }
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void setIndex(int index) { m_index = index; }
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//XML_Node& xml() { return *m_xml; }
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/// Identifies subclass.
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virtual int type() { return 0; }
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int start(int n) { return m_start[n]; }
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/// Number of reactions
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int nReactions() const {return m_ii;}
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/// Number of species
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int nTotalSpecies() const {
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int n=0, np;
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np = nPhases();
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for (int p = 0; p < np; p++) n += thermo(p).nSpecies();
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return n;
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}
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/**
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* Stoichiometric coefficient of species k as a reactant in
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* reaction i.
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*/
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virtual doublereal reactantStoichCoeff(int k, int i) const {
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err("reactantStoichCoeff");
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return -1.0;
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}
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/**
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* Stoichiometric coefficient of species k as a product in
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* reaction i.
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*/
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virtual doublereal productStoichCoeff(int k, int i) const {
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err("productStoichCoeff");
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return -1.0;
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}
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/**
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* Returns a read-only reference to the vector of reactant
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* index numbers for reaction i.
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*/
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virtual const vector_int& reactants(int i) const {
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return m_reactants[i];
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}
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virtual const vector_int& products(int i) const {
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return m_products[i];
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}
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/**
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* Flag specifying the type of reaction. The legal values and
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* their meaning are specific to the particular kinetics
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* manager.
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*/
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virtual int reactionType(int i) const {
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err("reactionType");
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return -1;
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}
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/**
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* @name Reaction Rates Of Progress
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*/
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//@{
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/**
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* Forward rates of progress.
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* Return the forward rates of progress in array fwdROP, which
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* must be dimensioned at least as large as the total number
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* of reactions.
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*/
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virtual void getFwdRatesOfProgress(doublereal* fwdROP) {
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err("getFwdRatesOfProgress");
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}
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/**
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* Reverse rates of progress.
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* Return the reverse rates of progress in array revROP, which
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* must be dimensioned at least as large as the total number
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* of reactions.
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*/
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virtual void getRevRatesOfProgress(doublereal* revROP) {
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err("getRevRatesOfProgress");
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}
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/**
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* Net rates of progress. Return the net (forward - reverse)
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* rates of progress in array netROP, which must be
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* dimensioned at least as large as the total number of
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* reactions.
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*/
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virtual void getNetRatesOfProgress(doublereal* netROP) {
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err("getNetRatesOfProgress");
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}
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/**
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* True if reaction i has been declared to be reversible. If
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* isReversible(i) is false, then the reverse rate of progress
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* for reaction i is always zero.
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*/
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virtual bool isReversible(int i){return false;}
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/**
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* Species creation rates [kmol/m^3]. Return the species
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* creation rates in array cdot, which must be
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* dimensioned at least as large as the total number of
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* species.
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*
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*/
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virtual void getCreationRates(doublereal* cdot) {
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err("getCreationRates");
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}
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/**
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* Species destruction rates [kmol/m^3]. Return the species
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* destruction rates in array ddot, which must be
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* dimensioned at least as large as the total number of
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* species.
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*
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*/
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virtual void getDestructionRates(doublereal* ddot) {
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err("getDestructionRates");
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}
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/**
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* Species net production rates [kmol/m^3]. Return the species
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* net production rates (creation - destruction) in array
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* wdot, which must be dimensioned at least as large as the
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* total number of species.
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*/
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virtual void getNetProductionRates(doublereal* wdot) {
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err("getNetProductionRates");
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}
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/**
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* Equilibrium constants. Return the equilibrium constants of
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* the reactions in concentration units in array kc, which
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* must be dimensioned at least as large as the total number
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* of reactions.
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*/
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virtual void getEquilibriumConstants(doublereal* kc) {
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err("getEquilibriumConstants");
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}
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//@}
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/**
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* @name Reaction Mechanism Construction
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*/
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//@{
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/**
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* Get the nth Phase object.
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*/
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//phase_t& phase(int n=0) { return *m_phase[n]; }
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//const phase_t& phase(int n=0) const { return *m_phase[n]; }
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int nPhases() const { return m_thermo.size(); }
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int phaseIndex(string ph) { return m_phaseindex[ph] - 1; }
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/**
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* Add a phase.
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*/
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void addPhase(thermo_t& thermo) {
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if (m_thermo.size() > 0) {
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m_start.push_back(m_start.back()
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+ m_thermo.back()->nSpecies());
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}
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else {
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m_start.push_back(0);
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}
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m_thermo.push_back(&thermo);
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m_phaseindex[m_thermo.back()->id()] = nPhases();
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}
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thermo_t& thermo(int n=0) { return *m_thermo[n]; }
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const thermo_t& thermo(int n=0) const { return *m_thermo[n]; }
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thermo_t& phase(int n=0) { return *m_thermo[n]; }
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const thermo_t& phase(int n=0) const { return *m_thermo[n]; }
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int speciesIndex(int k, int n) {
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return m_start[n] + k;
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}
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int speciesIndex(string nm, string ph = "<any>") {
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int np = m_thermo.size();
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int k;
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string id;
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for (int n = 0; n < np; n++) {
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id = thermo(n).id();
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if (ph == id) {
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k = thermo(n).speciesIndex(nm);
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if (k < 0) return -1;
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return k + m_start[n];
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}
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else if (ph == "<any>") {
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k = thermo(n).speciesIndex(nm);
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if (k >= 0) return k + m_start[n];
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}
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}
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return -2;
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}
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/**
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* Prepare to add reactions.
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*/
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virtual void init() {err("init");}
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/// Finished adding reactions. Prepare for use.
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virtual void finalize() {err("finalize");}
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||||
virtual void addReaction(const ReactionData& r) {err("addReaction");}
|
||||
|
||||
virtual string reactionString(int i) const {
|
||||
err("reactionString"); return "<null>";
|
||||
}
|
||||
|
||||
|
||||
virtual const vector<grouplist_t>& reactantGroups(int i)
|
||||
{ err("reactantGroups"); return m_dummygroups; }
|
||||
|
||||
virtual const vector<grouplist_t>& productGroups(int i)
|
||||
{ err("productGroups"); return m_dummygroups; }
|
||||
|
||||
/**
|
||||
* @name Altering Reaction Rates
|
||||
*
|
||||
* These methods alter reaction rates. They are designed
|
||||
* primarily for carrying out sensitivity analysis.
|
||||
*/
|
||||
//@{
|
||||
|
||||
/// The current value of the multiplier for reaction i.
|
||||
doublereal multiplier(int i) const {return m_perturb[i];}
|
||||
|
||||
/// Set the multiplier for reaction i to f.
|
||||
void setMultiplier(int i, doublereal f) {m_perturb[i] = f;}
|
||||
|
||||
//@}
|
||||
|
||||
void incrementRxnCount() { m_ii++; m_perturb.push_back(1.0); }
|
||||
|
||||
virtual bool ready() const {return false;}
|
||||
|
||||
protected:
|
||||
|
||||
int m_ii;
|
||||
vector_fp m_perturb;
|
||||
vector<vector_int> m_reactants;
|
||||
vector<vector_int> m_products;
|
||||
vector<thermo_t*> m_thermo;
|
||||
vector_int m_start;
|
||||
// XML_Node* m_xml;
|
||||
map<string, int> m_phaseindex;
|
||||
int m_index;
|
||||
|
||||
private:
|
||||
|
||||
vector<grouplist_t> m_dummygroups;
|
||||
void err(string m) const {
|
||||
throw CanteraError("Kinetics::"+m,"Base class method called.");
|
||||
}
|
||||
};
|
||||
|
||||
typedef Kinetics kinetics_t;
|
||||
}
|
||||
|
||||
|
||||
|
||||
#endif
|
||||
|
|
@ -1,7 +0,0 @@
|
|||
#ifndef CT_NUM_H_INCL
|
||||
#define CT_NUM_H_INCL
|
||||
|
||||
#include "kernel/DenseMatrix.h"
|
||||
#include "kernel/BandMatrix.h"
|
||||
|
||||
#endif
|
||||
|
|
@ -1,11 +0,0 @@
|
|||
#ifndef CT_INCL_ONEDIM_H
|
||||
#define CT_INCL_ONEDIM_H
|
||||
|
||||
#include "kernel/oneD/Sim1D.h"
|
||||
#include "kernel/oneD/OneDim.h"
|
||||
#include "kernel/oneD/Domain1D.h"
|
||||
#include "kernel/oneD/Inlet1D.h"
|
||||
#include "kernel/oneD/MultiNewton.h"
|
||||
#include "kernel/oneD/MultiJac.h"
|
||||
#endif
|
||||
|
||||
|
|
@ -1,6 +0,0 @@
|
|||
#ifndef CT_RXNPATHS_H
|
||||
#define CT_RXNPATHS_H
|
||||
|
||||
#include "kernel/ReactionPath.h"
|
||||
|
||||
#endif
|
||||
|
|
@ -1,7 +0,0 @@
|
|||
#ifndef CT_SURFACE_INCL
|
||||
#define CT_SURFACE_INCL
|
||||
|
||||
#include "SurfPhase.h"
|
||||
#include "InterfaceKinetics.h"
|
||||
|
||||
#endif
|
||||
|
|
@ -1,6 +0,0 @@
|
|||
#ifndef CT_TRANSPORT_INCL
|
||||
#define CT_TRANSPORT_INCL
|
||||
|
||||
#include "kernel/transport/TransportFactory.h"
|
||||
#include "kernel/transport/DustyGasTransport.h"
|
||||
#endif
|
||||
|
|
@ -1,9 +0,0 @@
|
|||
#ifndef CT_INCL_ZERODIM_H
|
||||
#define CT_INCL_ZERODIM_H
|
||||
|
||||
#include "kernel/zeroD/Reactor.h"
|
||||
#include "kernel/zeroD/Reservoir.h"
|
||||
#include "kernel/zeroD/Wall.h"
|
||||
#include "kernel/zeroD/flowControllers.h"
|
||||
#endif
|
||||
|
||||
Loading…
Add table
Reference in a new issue