*** empty log message ***

This commit is contained in:
Dave Goodwin 2003-11-01 04:50:35 +00:00
parent 919d14e763
commit d95df61602
20 changed files with 706 additions and 733 deletions

View file

@ -85,46 +85,8 @@ static PyMethodDef ct_methods[] = {
{"ct_print", ct_print, METH_VARARGS},
{"ct_refcnt", ct_refcnt, METH_VARARGS},
{"readlog", ct_readlog, METH_VARARGS},
//{"ck2cti", ct_ck2cti, METH_VARARGS},
{"buildSolutionFromXML", ct_buildSolutionFromXML, METH_VARARGS},
// {"Flow", py_flow_new, METH_VARARGS},
// {"flow_delete", py_flow_delete, METH_VARARGS},
// {"flow_setupgrid", py_flow_setupgrid, METH_VARARGS},
// {"flow_setthermo", py_flow_setthermo, METH_VARARGS},
// {"flow_setkinetics", py_flow_setkinetics, METH_VARARGS},
// {"flow_settransport", py_flow_settransport, METH_VARARGS},
// {"flow_setpressure", py_flow_setpressure, METH_VARARGS},
// {"flow_solvespecies", py_flow_solvespecies, METH_VARARGS},
// {"flow_settemperature", py_flow_settemperature, METH_VARARGS},
// {"flow_setenergyfactor", py_flow_setenergyfactor, METH_VARARGS},
// {"flow_setmassfraction", py_flow_setmassfraction, METH_VARARGS},
// {"flow_settolerances", py_flow_settolerances, METH_VARARGS},
// {"flow_energy", py_flow_energy, METH_VARARGS},
// {"flow_showsolution", py_flow_showsolution, METH_VARARGS},
// {"flow_resize", py_flow_resize, METH_VARARGS},
// {"flow_outputtec", py_flow_outputtec, METH_VARARGS},
// {"flow_restore", py_flow_restore, METH_VARARGS},
// {"flow_setfixedpoint", py_flow_setfixedpoint, METH_VARARGS},
// {"flow_setboundaries", py_flow_setboundaries, METH_VARARGS},
// {"copy", py_copy, METH_VARARGS},
// {"bdry_new", py_bdry_new, METH_VARARGS},
// {"bdry_del", py_bdry_delete, METH_VARARGS},
// {"bdry_set", py_bdry_set, METH_VARARGS},
// {"onedim_solve", py_onedim_solve, METH_VARARGS},
// {"onedim_new", py_onedim_new, METH_VARARGS},
// {"onedim_del", py_onedim_delete, METH_VARARGS},
// {"onedim_setnewtonoptions", py_onedim_setnewtonoptions, METH_VARARGS},
// {"onedim_ssnorm", py_onedim_ssnorm, METH_VARARGS},
// {"onedim_setsteadymode", py_onedim_setsteadymode, METH_VARARGS},
// {"onedim_settransientmode", py_onedim_settransientmode, METH_VARARGS},
// {"onedim_eval", py_onedim_eval, METH_VARARGS},
// {"onedim_addflow", py_onedim_addflow, METH_VARARGS},
// {"onedim_resize", py_onedim_resize, METH_VARARGS},
// {"onedim_writestats", py_onedim_writestats, METH_VARARGS},
// {"onedim_timestep", py_onedim_timestep, METH_VARARGS},
// {"onedim_save", py_onedim_save, METH_VARARGS},
{"domain_clear", py_domain_clear, METH_VARARGS},
{"domain_del", py_domain_del, METH_VARARGS},
{"domain_type", py_domain_type, METH_VARARGS},

View file

@ -27,183 +27,6 @@ using namespace std;
namespace Cantera {
///////////////////////////////////////////////////////////
//
// class SurfPhase methods
//
///////////////////////////////////////////////////////////
SurfPhase::
SurfPhase(doublereal n0):
ThermoPhase(),
m_n0(n0),
m_logn0(0.0),
m_tmin(0.0),
m_tmax(0.0),
m_press(OneAtm),
m_tlast(0.0)
{
if (n0 > 0.0) m_logn0 = log(n0);
setNDim(2);
}
doublereal SurfPhase::
enthalpy_mole() const {
if (m_n0 <= 0.0) return 0.0;
_updateThermo();
return mean_X(m_h0.begin());
}
SurfPhase::
~SurfPhase() { }
/**
* For a surface phase, the pressure is not a relevant
* thermodynamic variable, and so the enthalpy is equal to the
* internal energy.
*/
doublereal SurfPhase::
intEnergy_mole() const { return enthalpy_mole(); }
void SurfPhase::
getStandardChemPotentials(doublereal* mu0) const {
_updateThermo();
copy(m_mu0.begin(), m_mu0.end(), mu0);
}
void SurfPhase::
getActivityConcentrations(doublereal* c) const {
getConcentrations(c);
}
doublereal SurfPhase::
standardConcentration(int k) const {
return m_n0/size(k);
}
doublereal SurfPhase::
logStandardConc(int k) const {
return m_logn0 - m_logsize[k];
}
void SurfPhase::
setParameters(int n, doublereal* c) {
m_n0 = c[0];
if (m_n0 <= 0.0) {
throw CanteraError("SurfPhase::setParameters",
"Bad value for parameter");
}
m_logn0 = log(m_n0);
}
void SurfPhase::
initThermo() {
m_h0.resize(m_kk);
m_s0.resize(m_kk);
m_cp0.resize(m_kk);
m_mu0.resize(m_kk);
m_work.resize(m_kk);
m_pe.resize(m_kk, 0.0);
vector_fp cov(m_kk, 0.0);
cov[0] = 1.0;
setCoverages(cov.begin());
m_logsize.resize(m_kk);
for (int k = 0; k < m_kk; k++)
m_logsize[k] = log(size(k));
}
void SurfPhase::
setPotentialEnergy(int k, doublereal pe) {
m_pe[k] = pe;
_updateThermo(true);
}
void SurfPhase::
setSiteDensity(doublereal n0) {
doublereal x = n0;
setParameters(1, &x);
}
//void SurfPhase::
//setElectricPotential(doublereal V) {
// for (int k = 0; k < m_kk; k++) {
// m_pe[k] = charge(k)*Faraday*V;
// }
// _updateThermo(true);
//}
/**
* Set the coverage fractions to a specified
* state. This routine converts to concentrations
* in kmol/m2, using m_n0, the surface site density,
* and size(k), which is defined to be the number of
* surface sites occupied by the kth molecule.
* It then calls State::setConcentrations to set the
* internal concentration in the object.
*/
void SurfPhase::
setCoverages(const doublereal* theta) {
for (int k = 0; k < m_kk; k++) {
m_work[k] = m_n0*theta[k]/size(k);
}
/*
* Call the State:: class function
* setConcentrations.
*/
setConcentrations(m_work.begin());
}
void SurfPhase::
getCoverages(doublereal* theta) const {
getConcentrations(theta);
for (int k = 0; k < m_kk; k++) {
theta[k] *= size(k)/m_n0;
}
}
void SurfPhase::
setCoveragesByName(string cov) {
int kk = nSpecies();
int k;
compositionMap cc;
for (k = 0; k < kk; k++) {
cc[speciesName(k)] = -1.0;
}
parseCompString(cov, cc);
doublereal c;
vector_fp cv(kk, 0.0);
for (k = 0; k < kk; k++) {
c = cc[speciesName(k)];
if (c > 0.0) cv[k] = c;
}
setCoverages(cv.begin());
}
void SurfPhase::
_updateThermo(bool force) const {
doublereal tnow = temperature();
if (m_tlast != tnow || force) {
m_spthermo->update(tnow, m_cp0.begin(), m_h0.begin(),
m_s0.begin());
m_tlast = tnow;
doublereal rt = GasConstant * tnow;
int k;
//doublereal deltaE;
for (k = 0; k < m_kk; k++) {
m_h0[k] *= rt;
m_s0[k] *= GasConstant;
m_cp0[k] *= GasConstant;
//deltaE = m_pe[k];
//m_h0[k] += deltaE;
m_mu0[k] = m_h0[k] - tnow*m_s0[k];
}
m_tlast = tnow;
}
}
//////////////////////////////////////////////////////////////////
/**
@ -314,34 +137,35 @@ namespace Cantera {
void InterfaceKinetics::updateKc() {
int i, irxn;
vector_fp& m_rkc = m_kdata->m_rkcn;
int n, nsp, k, ik=0;
doublereal rt = GasConstant*thermo(0).temperature();
doublereal rrt = 1.0/rt;
int np = nPhases();
for (n = 0; n < np; n++) {
thermo(n).getStandardChemPotentials(m_mu0.begin() + m_start[n]);
nsp = thermo(n).nSpecies();
for (k = 0; k < nsp; k++) {
m_mu0[ik] -= rt*thermo(n).logStandardConc(k);
m_mu0[ik] += Faraday * m_phi[n] * thermo(n).charge(k);
ik++;
}
}
fill(m_rkc.begin(), m_rkc.end(), 0.0);
// compute Delta mu^0 for all reversible reactions
m_reactantStoich.decrementReactions(m_mu0.begin(), m_rkc.begin());
m_revProductStoich.incrementReactions(m_mu0.begin(), m_rkc.begin());
if (m_nrev > 0) {
for (i = 0; i < m_nrev; i++) {
irxn = m_revindex[i];
m_rkc[irxn] = exp(m_rkc[irxn]*rrt);
}
int n, nsp, k, ik=0;
doublereal rt = GasConstant*thermo(0).temperature();
doublereal rrt = 1.0/rt;
int np = nPhases();
for (n = 0; n < np; n++) {
thermo(n).getStandardChemPotentials(m_mu0.begin() + m_start[n]);
nsp = thermo(n).nSpecies();
for (k = 0; k < nsp; k++) {
m_mu0[ik] -= rt*thermo(n).logStandardConc(k);
m_mu0[ik] += Faraday * m_phi[n] * thermo(n).charge(k);
ik++;
}
}
for (i = 0; i != m_nirrev; ++i) {
m_rkc[ m_irrev[i] ] = 0.0;
// compute Delta mu^0 for all reversible reactions
m_reactantStoich.decrementReactions(m_mu0.begin(), m_rkc.begin());
m_revProductStoich.incrementReactions(m_mu0.begin(), m_rkc.begin());
for (i = 0; i < m_nrev; i++) {
irxn = m_revindex[i];
m_rkc[irxn] = exp(m_rkc[irxn]*rrt);
}
for (i = 0; i != m_nirrev; ++i) {
m_rkc[ m_irrev[i] ] = 0.0;
}
}
}
@ -491,6 +315,10 @@ namespace Cantera {
addReaction(const ReactionData& r) {
int nr = r.reactants.size();
// a global reaction is idnetified as one with
// a reactant stoichiometric coefficient not equal
// to the molecularity for some reactant
bool isglobal = false;
for (int n = 0; n < nr; n++) {
if (r.rstoich[n] != int(r.order[n])) {

View file

@ -33,7 +33,7 @@ KINETICS = GRI_30_Kinetics.o KineticsFactory.o GasKinetics.o FalloffFactory.o
ReactionStoichMgr.o $(THERMO)
# heterogeneous kinetics
HETEROKIN = InterfaceKinetics.o ImplicitSurfChem.o $(THERMO)
HETEROKIN = InterfaceKinetics.o ImplicitSurfChem.o SurfPhase.o $(THERMO)
# support for importing from Chemkin-compatible reaction mechanisms
CK = $(KINETICS)
@ -51,8 +51,8 @@ SOLVERS = CVode.o BandMatrix.o
FLOW1D = $(KINETICS) $(SOLVERS)
EVERYTHING = $(KINETICS) $(HETEROKIN) $(EQUIL) $(CK) $(TRANSPORT) $(REACTOR) $(RPATH) \
$(SOLVERS) $(FLOW1D)
EVERYTHING = $(KINETICS) $(HETEROKIN) $(ELECTROCHEM) $(EQUIL) $(CK) \
$(TRANSPORT) $(REACTOR) $(RPATH) $(SOLVERS) $(FLOW1D)
all: @KERNEL@ lib

View file

@ -31,7 +31,7 @@ namespace Cantera {
* \f]
* \f[
* \frac{h^0(T)}{RT} = a_0 + \frac{a_1}{2} T + \frac{a_2}{3} T^2
+ \frac{a_3}{4} T^3 + \frac{a_4}{5} T^4 + a_5.
* + \frac{a_3}{4} T^3 + \frac{a_4}{5} T^4 + \frac{a_5}{T}.
* \f]
* \f[
* \frac{s^0(T)}{R} = a_0\ln T + a_1 T + \frac{a_2}{2} T^2
@ -61,26 +61,34 @@ namespace Cantera {
virtual ~NasaPoly1(){}
doublereal minTemp() const { return m_lowT;}
doublereal maxTemp() const { return m_highT;}
doublereal minTemp() const { return m_lowT;}
doublereal maxTemp() const { return m_highT;}
doublereal refPressure() const { return m_Pref; }
/**
* Update the properties for this species. This method is called
* with a pointer to an array containing the functions of temperature needed by this
* parameterization, and three pointers to arrays where the computed property values
* should be written. This method updates only one value in each array.
*/
void updateProperties(const doublereal* tt,
doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const {
doublereal ct0 = m_coeff[2];
doublereal ct1 = m_coeff[3]*tt[0];
doublereal ct2 = m_coeff[4]*tt[1];
doublereal ct3 = m_coeff[5]*tt[2];
doublereal ct4 = m_coeff[6]*tt[3];
doublereal ct0 = m_coeff[2]; // a0
doublereal ct1 = m_coeff[3]*tt[0]; // a1 * T
doublereal ct2 = m_coeff[4]*tt[1]; // a2 * T^2
doublereal ct3 = m_coeff[5]*tt[2]; // a3 * T^3
doublereal ct4 = m_coeff[6]*tt[3]; // a4 * T^4
doublereal cp, h, s;
cp = ct0 + ct1 + ct2 + ct3 + ct4;
h = ct0 + 0.5*ct1 + OneThird*ct2 + 0.25*ct3 + 0.2*ct4
+ m_coeff[0]*tt[4];
+ m_coeff[0]*tt[4]; // last term is a5/T
s = ct0*tt[5] + ct1 + 0.5*ct2 + OneThird*ct3
+0.25*ct4 + m_coeff[1];
+0.25*ct4 + m_coeff[1]; // last term is a6
// return the computed properties in the location in the output
// arrays for this species
cp_R[m_index] = cp;
h_RT[m_index] = h;
s_R[m_index] = s;
@ -88,9 +96,11 @@ namespace Cantera {
protected:
doublereal m_lowT, m_highT, m_Pref;
int m_index;
array_fp m_coeff;
doublereal m_lowT; // lowest valid temperature
doublereal m_highT; // highest valid temperature
doublereal m_Pref; // standard-state pressure
int m_index; // species index
array_fp m_coeff; // array of polynomial coefficients
private:

View file

@ -3,9 +3,9 @@
*/
/*
* $author$
* $revision$
* $date$
* $Author$
* $Revision$
* $Date$
*/
@ -57,12 +57,12 @@ namespace Cantera {
/**
* Install parameterization for a species.
* @param index Species index
* @param type ignored, since only NASA type is supported
* @param c coefficients. These are
* - c[0] midpoint temperature
* - c[1] - c[7] coefficients for low T range
* - c[8] - c[14] coefficients for high T range
* @param index Species index
* @param type ignored, since only NASA type is supported
* @param c coefficients. These are
* - c[0] midpoint temperature
* - c[1] - c[7] coefficients for low T range
* - c[8] - c[14] coefficients for high T range
*/
virtual void install(int index, int type, const doublereal* c,
doublereal minTemp, doublereal maxTemp, doublereal refPressure) {
@ -105,6 +105,10 @@ namespace Cantera {
m_low_map[index] = &m_low[igrp-1].back();
}
/**
* update the properties for only one species.
*/
virtual void update_one(int k, doublereal t, doublereal* cp_R,
doublereal* h_RT, doublereal* s_R) const {
@ -127,6 +131,7 @@ namespace Cantera {
doublereal* h_RT, doublereal* s_R) const {
int i;
// load functions of temperature into m_t vector
m_t[0] = t;
m_t[1] = t*t;
m_t[2] = m_t[1]*t;
@ -134,6 +139,7 @@ namespace Cantera {
m_t[4] = 1.0/t;
m_t[5] = log(t);
// iterate over the groups
vector<NasaPoly1>::const_iterator _begin, _end;
for (i = 0; i != m_ngroups; i++) {
if (t > m_tmid[i]) {
@ -149,6 +155,13 @@ namespace Cantera {
}
}
/**
* Return the lowest temperature at which the thermodynamic
* parameterization is valid. If no argument is supplied, the
* value is the one for which all species parameterizations
* are valid. Otherwise, if an integer argument is given, the
* value applies only to the species with that index.
*/
virtual doublereal minTemp(int k=-1) const {
if (k < 0)
return m_tlow_max;
@ -187,8 +200,11 @@ namespace Cantera {
#endif
// $Log$
// Revision 1.1 2003-04-14 17:57:51 dggoodwin
// Initial revision
// Revision 1.2 2003-11-01 04:50:35 dggoodwin
// *** empty log message ***
//
// Revision 1.1.1.1 2003/04/14 17:57:51 dggoodwin
// Initial import.
//
// Revision 1.16 2003/01/13 10:14:32 dgg
// *** empty log message ***

View file

@ -34,10 +34,9 @@ namespace Cantera {
//////////////////////// class SpeciesThermo ////////////////////
/**
* Virtual base class for the species thermo
* manager classes. This class defines the interface which all
* subclasses must implement.
* @ingroup spthermo
* Virtual base class for the species thermo manager classes. This
* class defines the interface which all subclasses must
* implement. @ingroup spthermo
*/
class SpeciesThermo {

View file

@ -111,7 +111,7 @@ namespace ctml {
//char line[90];
//if (ierr != 0) {
try {
char ch;
char ch=0;
string s = "";
ifstream ferr("ct2ctml.log");
if (ferr) {

View file

@ -103,12 +103,13 @@ namespace Cantera {
XML_Node *db, *doc;
split(file_ID, fname, idstr);
if (fname == "") {
if (!root) return 0;
db = root->findID(idstr, 3);
if (!root) throw CanteraError("get_XML_Node","no file name given. file_ID = "+file_ID);
db = root->findID(idstr, 3);
} else {
doc = get_XML_File(fname);
if (!doc) return 0;
if (!doc) throw CanteraError("get_XML_Node", "get_XML_File failed trying to open "+fname);
db = doc->findID(idstr, 3);
if (!db) throw CanteraError("get_XML_Node", "id tag "+idstr+" not found.");
}
return db;
}

View file

@ -35,11 +35,13 @@ namespace Cantera {
const int cSurf = 3; // SurfPhase in SurfPhase.h
const int cMetal = 4; // MetalPhase in MetalPhase.h
const int cSolidCompound = 5; // SolidCompound in SolidCompound.h
const int cEdge = 6;
// kinetic manager types
const int cGasKinetics = 2;
const int cGRI30 = 3;
const int cInterfaceKinetics = 4;
const int cLineKinetics = 5;
}
#endif

View file

@ -398,11 +398,12 @@ namespace Cantera {
virtual void setupGrid(int n, const doublereal* z) {}
/**
* Writes some or all initial solution values into array x,
* which is the solution vector for this domain. This allows
* initial values that have been set prior to installing this
* domain into the container to be written to the global
* solution vector.
* Writes some or all initial solution values into the global
* solution array, beginning at the location pointed to by
* x. This method is called by the Sim1D constructor, and
* allows default values or ones that have been set locally
* prior to installing this domain into the container to be
* written to the global solution vector.
*/
virtual void _getInitialSoln(doublereal* x) {
throw CanteraError("Domain1D::_getInitialSoln",
@ -410,13 +411,19 @@ namespace Cantera {
}
/**
* Perform any necessary domain-specific initialization using
* local solution vector x.
* In some cases, a domain may need to set parameters that
* depend on the initial solution estimate. In such cases, the
* parameters may be set in method _finalize. This method is
* called just before the Newton solver is called, and the x
* array is guaranteed to be the local solution vector for
* this domain that will be used as the initial guess. If no
* such parameters need to be set, then method _finalize does
* not need to be overloaded.
*/
virtual void _finalize(const doublereal* x) {
throw CanteraError("Domain1D::_finalize",
"base class method _finalize called!");
}
virtual void _finalize(const doublereal* x) {}
//throw CanteraError("Domain1D::_finalize",
// "base class method _finalize called!");
//}
protected:

View file

@ -20,6 +20,8 @@
#endif
#include <vector>
#include <math.h>
using namespace std;
#include "MultiJac.h"
@ -93,10 +95,12 @@ namespace Cantera {
for (m = 0; m < mv; m++) {
value(m+iloc,ipt) = (m_r1[m+iloc]
- resid0[m+iloc])*rdx;
//if (m == 15) {
// cout << "perturbed " << n << " " << value(m+iloc,ipt) << " " << m_r1[m+iloc]
// << " " << resid0[m+iloc] << " " << rdx << endl;
//}
if (__isnand(value(m+iloc,ipt))) {
cout << "NaN detected at i, j, n, m: " << i
<< " " << j << " " << n << " " << m <<
" " << m_r1[m+iloc] << " " << resid0[m+iloc]
<< " " << rdx << endl;
}
}
}
}

View file

@ -145,7 +145,7 @@ namespace Cantera {
"Jacobian is singular for domain "+
dom.id() + ", component "
+dom.componentName(comp)+" at point "
+int2str(pt));
+int2str(pt)+"\nsee file bandmatrix.csv\n");
}
else if (iok < 0)
throw CanteraError("MultiNewton::step",

View file

@ -52,7 +52,6 @@ namespace Cantera {
bool MixTransport::init(TransportParams& tr) {
// constant substance attributes
//m_phase = tr.mix;
m_thermo = tr.thermo;
m_nsp = m_thermo->nSpecies();
m_tmin = m_thermo->minTemp();

View file

@ -24,11 +24,12 @@
#include "../ctexceptions.h"
#include "../Array.h"
#include "../stringUtils.h"
//#include "Phase.h"
#include "../ThermoPhase.h"
namespace Cantera {
// exception class
class NotImplemented : public CanteraError {
public:
NotImplemented(string method) : CanteraError("Transport",
@ -53,24 +54,21 @@ namespace Cantera {
/**
* Base class for transport property managers.
* All classes that compute transport properties derive from this
* class. Class Transport is meant to be used as a base class
* only. It is possible to instantiate it, but its methods throw
* exceptions if called.
* @see MultiTransport
* @see MixTransport
* Base class for transport property managers. All classes that
* compute transport properties derive from this class. Class
* Transport is meant to be used as a base class only. It is
* possible to instantiate it, but its methods throw exceptions if
* called.
*/
class Transport {
public:
/**
* Transport model. Each transport manager may implement a
* different transport model, defined as the set of equations
* used to compute the transport properties. This virtual
* method returns an integer flag that identifies the
* transport model implemented.
* Transport model. The transport model is the set of
* equations used to compute the transport properties. This
* virtual method returns an integer flag that identifies the
* transport model implemented. The base class returns 0.
*/
virtual int model() {return 0;}
@ -86,7 +84,6 @@ namespace Cantera {
/**
* Returns true if the transport manager is ready for use.
* When first created, ready() returns false, since
*/
bool ready() { return m_ready; }
@ -107,8 +104,7 @@ namespace Cantera {
/**
* The mixture viscosity in Pa-s.
* @see \ref viscositySection
* The viscosity in Pa-s.
*/
virtual doublereal viscosity()
{ return err("viscosity"); }
@ -128,7 +124,6 @@ namespace Cantera {
* applications where bulk viscosity is important, it is
* possible to create a transport manager that computes it by
* overloading this method.
* @see bulkViscositySection
*/
virtual doublereal bulkViscosity()
{ return err("bulkViscosity"); }
@ -136,13 +131,12 @@ namespace Cantera {
/**
* The thermal conductivity in W/m/K.
* @see thermalConductivitySection
*/
virtual doublereal thermalConductivity()
{ return err("thermalConductivity"); }
/**
* The electrical conductivity (mho/m).
* The electrical conductivity (Siemens/m).
*/
virtual doublereal electricalConductivity()
{ return err("electricalConductivity"); }
@ -150,14 +144,10 @@ namespace Cantera {
/**
* Electrical mobilities. Units: [m^2/V/s].
*/
void getMobilities(vector_fp& mobil) {
if (mobil.size() < m_nmin) sizeError(mobil.size(), m_nmin);
getMobilities(mobil.begin());
}
virtual void getMobilities(doublereal* mobil)
{ err("getMobilities"); }
//@}
@ -168,16 +158,6 @@ namespace Cantera {
doublereal* grad_T, int ldx, const doublereal* grad_X,
int ldf, doublereal* fluxes) { err("getSpeciesFluxes"); }
/**
* Get the species mass fluxes, given the gradients.
*/
void getSpeciesFluxes(int ndim, vector_fp& grad_T, const Array2D& grad_X,
Array2D& fluxes) {
getSpeciesFluxes(ndim, grad_T.begin(), grad_X.nRows(), grad_X.begin(),
fluxes.nRows(), fluxes.begin());
}
/**
* Thermal diffusion coefficients. Units: [kg/m/sec].
@ -191,10 +171,6 @@ namespace Cantera {
* diffusion coefficients. Dimension dt at least as large as
* the number of species.
*/
void getThermalDiffCoeffs(vector_fp& dt) {
if (dt.size() < m_nmin) sizeError(dt.size(),m_nmin);
getThermalDiffCoeffs(dt.begin());
}
virtual void getThermalDiffCoeffs(doublereal* dt)
{ err("getThermalDiffCoeffs"); }
@ -202,11 +178,6 @@ namespace Cantera {
/**
* Binary diffusion coefficients. Units: [m^2/s].
*/
void getBinaryDiffCoeffs(Array2D& d) {
if (d.nRows() < m_nmin || d.nColumns() < m_nmin)
sizeError(d.nRows(), m_nmin, d.nColumns(), m_nmin);
getBinaryDiffCoeffs(d.nRows(), d.begin());
}
virtual void getBinaryDiffCoeffs(int ld, doublereal* d)
{ err("getBinaryDiffCoeffs"); }
@ -217,11 +188,6 @@ namespace Cantera {
* model, then this method returns the array of multicomponent
* diffusion coefficients.
*/
void getMultiDiffCoeffs(Array2D& d) {
if (d.nRows() < m_nmin || d.nColumns() < m_nmin)
sizeError(d.nRows(), m_nmin, d.nColumns(), m_nmin);
getMultiDiffCoeffs(d.nRows(), d.begin());
}
virtual void getMultiDiffCoeffs(int ld, doublereal* d)
{ err("getMultiDiffCoeffs"); }
@ -232,20 +198,21 @@ namespace Cantera {
* diffusion model, then this method returns the array of
* mixture-averaged diffusion coefficients.
*/
void getMixDiffCoeffs(vector_fp& d) {
if (d.size() < m_nmin)
sizeError(d.size(), m_nmin);
getMixDiffCoeffs(d.begin());
}
virtual void getMixDiffCoeffs(doublereal* d)
{ err("getMixDiffCoeffs"); }
#ifdef INCL_CBAR
doublereal meanThermalSpeed(int k) const {
doublereal t = m_thermo->temperature();
doublereal mw = m_thermo->molecularWeight(k);
return sqrt(8.0 * GasConstant * t /(Pi * mw));
}
#endif
/**
* Set transport model parameters. This method may be
* overloaded in subclasses to set model-specific parameters.
*/
virtual void setParameters(int type, int k, doublereal* p)
{ err("setParameters"); }
@ -262,6 +229,7 @@ namespace Cantera {
Transport(thermo_t* thermo=0)
: m_thermo(thermo), m_ready(false), m_nmin(0), m_index(-1) {}
protected:
/**
@ -286,7 +254,7 @@ namespace Cantera {
m_nmin = m_thermo->nSpecies();
}
else
throw CanteraError("Transport::setPhase",
throw CanteraError("Transport::setThermo",
"the phase object cannot be changed after "
"the transport manager has been constructed.");
}
@ -307,12 +275,12 @@ namespace Cantera {
//@}
//phase_t* m_phase; ///< pointer to the object representing the phase
thermo_t* m_thermo; ///< pointer to the object representing the phase
bool m_ready; ///< false initially, true if ready to use
bool m_ready; ///< true if finalize has been called
size_t m_nmin; ///< number of species
int m_index;
private:
/**
@ -321,27 +289,17 @@ namespace Cantera {
* is being used that does not implement all virtual methods,
* and one of those methods was called by the application
* program. For example, a transport manager that computes the
* thermal conductivity of a solid may not overload the
* viscosity() method, since the viscosity is meaningless. If the
* application invokes the viscosity() method, the base class
* method will be called, resulting in an exception being
* thrown.
* thermal conductivity of a solid may not define the
* viscosity() method, since the viscosity is in this case
* meaningless. If the application invokes the viscosity()
* method, the base class method will be called, resulting in
* an exception being thrown.
*/
doublereal err(string msg) const {
throw NotImplemented(msg);
return 0.0;
}
void sizeError(int nr, int nrmin, int nc=-1, int ncmin=-1) {
string msg;
msg = "Array size (" + int2str(nr);
if (nc > 0) msg += "," + int2str(nc);
msg += ") is too small. Dimension at least (" + int2str(nrmin);
if (nc > 0) msg += "," + int2str(ncmin);
msg += ").";
throw CanteraError("Transport", msg);
}
};
typedef Transport transport_t;

View file

@ -14,10 +14,11 @@ build_clib = @BUILD_CLIB@
build_python = @BUILD_PYTHON@
build_matlab = @BUILD_MATLAB@
os_is_win = @OS_IS_WIN@
incl_user_code = @INCL_USER_CODE@
LIBDIR=@LIB_DIR@
all: kernel cxxlib hdr-collect clib python matlab utils
all: kernel user cxxlib hdr-collect clib python matlab utils
win: python matlab
@ -34,6 +35,11 @@ kernel: info
cd ext; @MAKE@
cd Cantera/src; @MAKE@
user:
ifeq ($(incl_user_code),1)
cd Cantera/user; @MAKE@
endif
clib:
cd Cantera/clib/src; @MAKE@
ranlib @buildlib@/*.a

390
config/configure vendored

File diff suppressed because it is too large Load diff

View file

@ -75,6 +75,15 @@ AC_SUBST(LCXX_FLAGS)
#if test -z "$LCXX_END_LIBS"; then LCXX_END_LIBS='-lm'; fi
AC_SUBST(LCXX_END_LIBS)
#########################################################
# User Code
#########################################################
USERDIR=""
INCL_USER_CODE=0
if test -n "$USER_SRC_DIR"; then USERDIR=$USER_SRC_DIR; INCL_USER_CODE=1; fi
AC_SUBST(USERDIR)
AC_SUBST(INCL_USER_CODE)
#########################################################
# The Cantera Kernel
#########################################################
@ -407,6 +416,7 @@ AC_OUTPUT(../Cantera/Makefile \
../Cantera/python/Makefile \
../Cantera/python/setup.py \
../Cantera/cxx/Makefile \
../Cantera/user/Makefile \
../Cantera/python/src/Makefile \
../ext/lapack/Makefile \
../ext/blas/Makefile \

14
configure vendored
View file

@ -61,6 +61,17 @@ BUILD_PYTHON_INTERFACE=${BUILD_PYTHON_INTERFACE:="y"}
PYTHON_CMD=${PYTHON_CMD:="python"}
BUILD_MATLAB_TOOLBOX=${BUILD_MATLAB_TOOLBOX:="y"}
#----------------------------------------------------------------------
# Customizations / Extensions
#
# You can build your own libraries as part of the Cantera build process.
# This allows you to derive your own classes from those provided by
# Cantera and build them automatically along with the rest of Cantera.
# All you need to do is specify the directory where your source code is
# located.
USER_SRC_DIR="Cantera/user"
#----------------------------------------------------------------------
# Kernel Configuration
#----------------------------------------------------------------------
@ -146,7 +157,7 @@ LAPACK_FTN_STRING_LEN_AT_END='y'
CXX=${CXX:=g++}
# C++ compiler flags
CXXFLAGS=${CXXFLAGS:="-O2 -Wall"}
CXXFLAGS=${CXXFLAGS:="-O2 -g -Wall"}
# the C++ flags required for linking
#LCXX_FLAGS=
@ -217,6 +228,7 @@ CT_SHARED_LIB=${CT_SHARED_LIB:=clib}
#------------------- don't change anything below!! ---------------------
#-----------------------------------------------------------------------
export USER_SRC_DIR
export ARCHIVE
export BLAS_LIBRARY
export BUILD_F90

View file

@ -1,4 +1,4 @@
# Doxyfile 1.2.14
# Doxyfile 1.3.4
# This file describes the settings to be used by the documentation system
# doxygen (www.doxygen.org) for a project
@ -11,7 +11,7 @@
# Values that contain spaces should be placed between quotes (" ")
#---------------------------------------------------------------------------
# General configuration options
# Project related configuration options
#---------------------------------------------------------------------------
# The PROJECT_NAME tag is a single word (or a sequence of words surrounded
@ -29,21 +29,152 @@ PROJECT_NUMBER = 1.5
# base path where the generated documentation will be put.
# If a relative path is entered, it will be relative to the location
# where doxygen was started. If left blank the current directory will be used.
#
# HKM -> use current directory
#
OUTPUT_DIRECTORY =
# The OUTPUT_LANGUAGE tag is used to specify the language in which all
# documentation generated by doxygen is written. Doxygen will use this
# information to generate all constant output in the proper language.
# The default language is English, other supported languages are:
# Brazilian, Chinese, Croatian, Czech, Danish, Dutch, Finnish, French,
# German, Greek, Hungarian, Italian, Japanese, Korean, Norwegian, Polish,
# Portuguese, Romanian, Russian, Slovak, Slovene, Spanish and Swedish.
# Brazilian, Catalan, Chinese, Chinese-Traditional, Croatian, Czech, Danish, Dutch,
# Finnish, French, German, Greek, Hungarian, Italian, Japanese, Japanese-en
# (Japanese with English messages), Korean, Norwegian, Polish, Portuguese,
# Romanian, Russian, Serbian, Slovak, Slovene, Spanish, Swedish, and Ukrainian.
OUTPUT_LANGUAGE = English
# This tag can be used to specify the encoding used in the generated output.
# The encoding is not always determined by the language that is chosen,
# but also whether or not the output is meant for Windows or non-Windows users.
# In case there is a difference, setting the USE_WINDOWS_ENCODING tag to YES
# forces the Windows encoding (this is the default for the Windows binary),
# whereas setting the tag to NO uses a Unix-style encoding (the default for
# all platforms other than Windows).
USE_WINDOWS_ENCODING = NO
# If the BRIEF_MEMBER_DESC tag is set to YES (the default) Doxygen will
# include brief member descriptions after the members that are listed in
# the file and class documentation (similar to JavaDoc).
# Set to NO to disable this.
BRIEF_MEMBER_DESC = YES
# If the REPEAT_BRIEF tag is set to YES (the default) Doxygen will prepend
# the brief description of a member or function before the detailed description.
# Note: if both HIDE_UNDOC_MEMBERS and BRIEF_MEMBER_DESC are set to NO, the
# brief descriptions will be completely suppressed.
REPEAT_BRIEF = YES
# If the ALWAYS_DETAILED_SEC and REPEAT_BRIEF tags are both set to YES then
# Doxygen will generate a detailed section even if there is only a brief
# description.
ALWAYS_DETAILED_SEC = YES
# If the INLINE_INHERITED_MEMB tag is set to YES, doxygen will show all inherited
# members of a class in the documentation of that class as if those members were
# ordinary class members. Constructors, destructors and assignment operators of
# the base classes will not be shown.
INLINE_INHERITED_MEMB = NO
# If the FULL_PATH_NAMES tag is set to YES then Doxygen will prepend the full
# path before files name in the file list and in the header files. If set
# to NO the shortest path that makes the file name unique will be used.
FULL_PATH_NAMES = NO
# If the FULL_PATH_NAMES tag is set to YES then the STRIP_FROM_PATH tag
# can be used to strip a user-defined part of the path. Stripping is
# only done if one of the specified strings matches the left-hand part of
# the path. It is allowed to use relative paths in the argument list.
STRIP_FROM_PATH =
# If the SHORT_NAMES tag is set to YES, doxygen will generate much shorter
# (but less readable) file names. This can be useful is your file systems
# doesn't support long names like on DOS, Mac, or CD-ROM.
SHORT_NAMES = NO
# If the JAVADOC_AUTOBRIEF tag is set to YES then Doxygen
# will interpret the first line (until the first dot) of a JavaDoc-style
# comment as the brief description. If set to NO, the JavaDoc
# comments will behave just like the Qt-style comments (thus requiring an
# explict @brief command for a brief description.
JAVADOC_AUTOBRIEF = YES
# The MULTILINE_CPP_IS_BRIEF tag can be set to YES to make Doxygen
# treat a multi-line C++ special comment block (i.e. a block of //! or ///
# comments) as a brief description. This used to be the default behaviour.
# The new default is to treat a multi-line C++ comment block as a detailed
# description. Set this tag to YES if you prefer the old behaviour instead.
MULTILINE_CPP_IS_BRIEF = NO
# If the DETAILS_AT_TOP tag is set to YES then Doxygen
# will output the detailed description near the top, like JavaDoc.
# If set to NO, the detailed description appears after the member
# documentation.
DETAILS_AT_TOP = NO
# If the INHERIT_DOCS tag is set to YES (the default) then an undocumented
# member inherits the documentation from any documented member that it
# reimplements.
INHERIT_DOCS = YES
# If member grouping is used in the documentation and the DISTRIBUTE_GROUP_DOC
# tag is set to YES, then doxygen will reuse the documentation of the first
# member in the group (if any) for the other members of the group. By default
# all members of a group must be documented explicitly.
DISTRIBUTE_GROUP_DOC = NO
# The TAB_SIZE tag can be used to set the number of spaces in a tab.
# Doxygen uses this value to replace tabs by spaces in code fragments.
TAB_SIZE = 8
# This tag can be used to specify a number of aliases that acts
# as commands in the documentation. An alias has the form "name=value".
# For example adding "sideeffect=\par Side Effects:\n" will allow you to
# put the command \sideeffect (or @sideeffect) in the documentation, which
# will result in a user-defined paragraph with heading "Side Effects:".
# You can put \n's in the value part of an alias to insert newlines.
ALIASES =
# Set the OPTIMIZE_OUTPUT_FOR_C tag to YES if your project consists of C sources
# only. Doxygen will then generate output that is more tailored for C.
# For instance, some of the names that are used will be different. The list
# of all members will be omitted, etc.
OPTIMIZE_OUTPUT_FOR_C = NO
# Set the OPTIMIZE_OUTPUT_JAVA tag to YES if your project consists of Java sources
# only. Doxygen will then generate output that is more tailored for Java.
# For instance, namespaces will be presented as packages, qualified scopes
# will look different, etc.
OPTIMIZE_OUTPUT_JAVA = NO
# Set the SUBGROUPING tag to YES (the default) to allow class member groups of
# the same type (for instance a group of public functions) to be put as a
# subgroup of that type (e.g. under the Public Functions section). Set it to
# NO to prevent subgrouping. Alternatively, this can be done per class using
# the \nosubgrouping command.
SUBGROUPING = YES
#---------------------------------------------------------------------------
# Build related configuration options
#---------------------------------------------------------------------------
# If the EXTRACT_ALL tag is set to YES doxygen will assume all entities in
# documentation are documented, even if no documentation was available.
# Private class members and static file members will be hidden unless
@ -53,10 +184,7 @@ EXTRACT_ALL = NO
# If the EXTRACT_PRIVATE tag is set to YES all private members of a class
# will be included in the documentation.
#
# HKM -> Changed this to yes, as I want to use documentation as
# a development tool, and thus need private info as well
#
EXTRACT_PRIVATE = YES
# If the EXTRACT_STATIC tag is set to YES all static members of a file
@ -80,53 +208,24 @@ HIDE_UNDOC_MEMBERS = YES
# If the HIDE_UNDOC_CLASSES tag is set to YES, Doxygen will hide all
# undocumented classes that are normally visible in the class hierarchy.
# If set to NO (the default) these class will be included in the various
# If set to NO (the default) these classes will be included in the various
# overviews. This option has no effect if EXTRACT_ALL is enabled.
HIDE_UNDOC_CLASSES = YES
# If the BRIEF_MEMBER_DESC tag is set to YES (the default) Doxygen will
# include brief member descriptions after the members that are listed in
# the file and class documentation (similar to JavaDoc).
# Set to NO to disable this.
# If the HIDE_FRIEND_COMPOUNDS tag is set to YES, Doxygen will hide all
# friend (class|struct|union) declarations.
# If set to NO (the default) these declarations will be included in the
# documentation.
BRIEF_MEMBER_DESC = YES
HIDE_FRIEND_COMPOUNDS = NO
# If the REPEAT_BRIEF tag is set to YES (the default) Doxygen will prepend
# the brief description of a member or function before the detailed description.
# Note: if both HIDE_UNDOC_MEMBERS and BRIEF_MEMBER_DESC are set to NO, the
# brief descriptions will be completely suppressed.
# If the HIDE_IN_BODY_DOCS tag is set to YES, Doxygen will hide any
# documentation blocks found inside the body of a function.
# If set to NO (the default) these blocks will be appended to the
# function's detailed documentation block.
REPEAT_BRIEF = YES
# If the ALWAYS_DETAILED_SEC and REPEAT_BRIEF tags are both set to YES then
# Doxygen will generate a detailed section even if there is only a brief
# description.
#
# HKM turned to true -> was getting confused at not seeing the presence
# of some members in the detailed members section
#
ALWAYS_DETAILED_SEC = YES
# If the INLINE_INHERITED_MEMB tag is set to YES, doxygen will show all inherited
# members of a class in the documentation of that class as if those members were
# ordinary class members. Constructors, destructors and assignment operators of
# the base classes will not be shown.
INLINE_INHERITED_MEMB = NO
# If the FULL_PATH_NAMES tag is set to YES then Doxygen will prepend the full
# path before files name in the file list and in the header files. If set
# to NO the shortest path that makes the file name unique will be used.
FULL_PATH_NAMES = NO
# If the FULL_PATH_NAMES tag is set to YES then the STRIP_FROM_PATH tag
# can be used to strip a user defined part of the path. Stripping is
# only done if one of the specified strings matches the left-hand part of
# the path. It is allowed to use relative paths in the argument list.
STRIP_FROM_PATH =
HIDE_IN_BODY_DOCS = NO
# The INTERNAL_DOCS tag determines if documentation
# that is typed after a \internal command is included. If the tag is set
@ -135,60 +234,26 @@ STRIP_FROM_PATH =
INTERNAL_DOCS = NO
# Setting the STRIP_CODE_COMMENTS tag to YES (the default) will instruct
# doxygen to hide any special comment blocks from generated source code
# fragments. Normal C and C++ comments will always remain visible.
#
# HKM turned this off -> that way the files will look the same in doxygen
#
STRIP_CODE_COMMENTS = NO
# If the CASE_SENSE_NAMES tag is set to NO then Doxygen will only generate
# file names in lower case letters. If set to YES upper case letters are also
# file names in lower-case letters. If set to YES upper-case letters are also
# allowed. This is useful if you have classes or files whose names only differ
# in case and if your file system supports case sensitive file names. Windows
# users are adviced to set this option to NO.
# users are advised to set this option to NO.
CASE_SENSE_NAMES = YES
# If the SHORT_NAMES tag is set to YES, doxygen will generate much shorter
# (but less readable) file names. This can be useful is your file systems
# doesn't support long names like on DOS, Mac, or CD-ROM.
SHORT_NAMES = NO
# If the HIDE_SCOPE_NAMES tag is set to NO (the default) then Doxygen
# will show members with their full class and namespace scopes in the
# documentation. If set to YES the scope will be hidden.
HIDE_SCOPE_NAMES = YES
# If the VERBATIM_HEADERS tag is set to YES (the default) then Doxygen
# will generate a verbatim copy of the header file for each class for
# which an include is specified. Set to NO to disable this.
VERBATIM_HEADERS = YES
# If the SHOW_INCLUDE_FILES tag is set to YES (the default) then Doxygen
# will put list of the files that are included by a file in the documentation
# will put a list of the files that are included by a file in the documentation
# of that file.
SHOW_INCLUDE_FILES = YES
# If the JAVADOC_AUTOBRIEF tag is set to YES then Doxygen
# will interpret the first line (until the first dot) of a JavaDoc-style
# comment as the brief description. If set to NO, the JavaDoc
# comments will behave just like the Qt-style comments (thus requiring an
# explict @brief command for a brief description.
JAVADOC_AUTOBRIEF = YES
# If the INHERIT_DOCS tag is set to YES (the default) then an undocumented
# member inherits the documentation from any documented member that it
# reimplements.
INHERIT_DOCS = YES
# If the INLINE_INFO tag is set to YES (the default) then a tag [inline]
# is inserted in the documentation for inline members.
@ -201,18 +266,6 @@ INLINE_INFO = YES
SORT_MEMBER_DOCS = YES
# If member grouping is used in the documentation and the DISTRIBUTE_GROUP_DOC
# tag is set to YES, then doxygen will reuse the documentation of the first
# member in the group (if any) for the other members of the group. By default
# all members of a group must be documented explicitly.
DISTRIBUTE_GROUP_DOC = NO
# The TAB_SIZE tag can be used to set the number of spaces in a tab.
# Doxygen uses this value to replace tabs by spaces in code fragments.
TAB_SIZE = 8
# The GENERATE_TODOLIST tag can be used to enable (YES) or
# disable (NO) the todo list. This list is created by putting \todo
# commands in the documentation.
@ -231,14 +284,11 @@ GENERATE_TESTLIST = YES
GENERATE_BUGLIST = YES
# This tag can be used to specify a number of aliases that acts
# as commands in the documentation. An alias has the form "name=value".
# For example adding "sideeffect=\par Side Effects:\n" will allow you to
# put the command \sideeffect (or @sideeffect) in the documentation, which
# will result in a user defined paragraph with heading "Side Effects:".
# You can put \n's in the value part of an alias to insert newlines.
# The GENERATE_DEPRECATEDLIST tag can be used to enable (YES) or
# disable (NO) the deprecated list. This list is created by putting
# \deprecated commands in the documentation.
ALIASES =
GENERATE_DEPRECATEDLIST= YES
# The ENABLED_SECTIONS tag can be used to enable conditional
# documentation sections, marked by \if sectionname ... \endif.
@ -246,7 +296,7 @@ ALIASES =
ENABLED_SECTIONS =
# The MAX_INITIALIZER_LINES tag determines the maximum number of lines
# the initial value of a variable or define consist of for it to appear in
# the initial value of a variable or define consists of for it to appear in
# the documentation. If the initializer consists of more lines than specified
# here it will be hidden. Use a value of 0 to hide initializers completely.
# The appearance of the initializer of individual variables and defines in the
@ -255,13 +305,6 @@ ENABLED_SECTIONS =
MAX_INITIALIZER_LINES = 30
# Set the OPTIMIZE_OUTPUT_FOR_C tag to YES if your project consists of C sources
# only. Doxygen will then generate output that is more tailored for C.
# For instance some of the names that are used will be different. The list
# of all members will be omitted, etc.
OPTIMIZE_OUTPUT_FOR_C = NO
# Set the SHOW_USED_FILES tag to NO to disable the list of files generated
# at the bottom of the documentation of classes and structs. If set to YES the
# list will mention the files that were used to generate the documentation.
@ -289,6 +332,13 @@ WARNINGS = YES
WARN_IF_UNDOCUMENTED = NO
# If WARN_IF_DOC_ERROR is set to YES, doxygen will generate warnings for
# potential errors in the documentation, such as not documenting some
# parameters in a documented function, or documenting parameters that
# don't exist or using markup commands wrongly.
WARN_IF_DOC_ERROR = YES
# The WARN_FORMAT tag determines the format of the warning messages that
# doxygen can produce. The string should contain the $file, $line, and $text
# tags, which will be replaced by the file and line number from which the
@ -318,10 +368,12 @@ INPUT = ../../Cantera/src
# and *.h) to filter out the source-files in the directories. If left
# blank the following patterns are tested:
# *.c *.cc *.cxx *.cpp *.c++ *.java *.ii *.ixx *.ipp *.i++ *.inl *.h *.hh *.hxx *.hpp
# *.h++ *.idl *.odl
FILE_PATTERNS = *.h *.cpp *.c *.txt
# *.h++ *.idl *.odl *.cs *.php *.php3 *.inc
FILE_PATTERNS = *.h \
*.cpp \
*.c \
*.txt
# The RECURSIVE tag can be used to turn specify whether or not subdirectories
# should be searched for input files as well. Possible values are YES and NO.
@ -334,7 +386,7 @@ RECURSIVE = YES
# subdirectory from a directory tree whose root is specified with the INPUT tag.
EXCLUDE = CVS \
examples
examples converters
# The EXCLUDE_SYMLINKS tag can be used select whether or not files or directories
# that are symbolic links (a Unix filesystem feature) are excluded from the input.
@ -351,7 +403,7 @@ EXCLUDE_PATTERNS = *old/* \
*CVS/* \
*examples/* \
*test/* \
*tests/*
*tests/*
# The EXAMPLE_PATH tag can be used to specify one or more files or
# directories that contain example code fragments that are included (see
@ -391,7 +443,7 @@ INPUT_FILTER =
# If the FILTER_SOURCE_FILES tag is set to YES, the input filter (if set using
# INPUT_FILTER) will be used to filter the input files when producing source
# files to browse.
# files to browse (i.e. when SOURCE_BROWSER is set to YES).
FILTER_SOURCE_FILES = NO
@ -409,6 +461,12 @@ SOURCE_BROWSER = YES
INLINE_SOURCES = NO
# Setting the STRIP_CODE_COMMENTS tag to YES (the default) will instruct
# doxygen to hide any special comment blocks from generated source code
# fragments. Normal C and C++ comments will always remain visible.
STRIP_CODE_COMMENTS = NO
# If the REFERENCED_BY_RELATION tag is set to YES (the default)
# then for each documented function all documented
# functions referencing it will be listed.
@ -421,6 +479,12 @@ REFERENCED_BY_RELATION = YES
REFERENCES_RELATION = YES
# If the VERBATIM_HEADERS tag is set to YES (the default) then Doxygen
# will generate a verbatim copy of the header file for each class for
# which an include is specified. Set to NO to disable this.
VERBATIM_HEADERS = YES
#---------------------------------------------------------------------------
# configuration options related to the alphabetical class index
#---------------------------------------------------------------------------
@ -477,7 +541,7 @@ HTML_HEADER = header.html
HTML_FOOTER = footer.html
# The HTML_STYLESHEET tag can be used to specify a user defined cascading
# The HTML_STYLESHEET tag can be used to specify a user-defined cascading
# style sheet that is used by each HTML page. It can be used to
# fine-tune the look of the HTML output. If the tag is left blank doxygen
# will generate a default style sheet
@ -497,6 +561,20 @@ HTML_ALIGN_MEMBERS = YES
GENERATE_HTMLHELP = YES
# If the GENERATE_HTMLHELP tag is set to YES, the CHM_FILE tag can
# be used to specify the file name of the resulting .chm file. You
# can add a path in front of the file if the result should not be
# written to the html output dir.
CHM_FILE =
# If the GENERATE_HTMLHELP tag is set to YES, the HHC_LOCATION tag can
# be used to specify the location (absolute path including file name) of
# the HTML help compiler (hhc.exe). If non-empty doxygen will try to run
# the HTML help compiler on the generated index.hhp.
HHC_LOCATION =
# If the GENERATE_HTMLHELP tag is set to YES, the GENERATE_CHI flag
# controls if a separate .chi index file is generated (YES) or that
# it should be included in the master .chm file (NO).
@ -510,7 +588,7 @@ GENERATE_CHI = NO
BINARY_TOC = NO
# The TOC_EXPAND flag can be set to YES to add extra items for group members
# to the contents of the Html help documentation and to the tree view.
# to the contents of the HTML help documentation and to the tree view.
TOC_EXPAND = NO
@ -528,10 +606,9 @@ ENUM_VALUES_PER_LINE = 4
# If the GENERATE_TREEVIEW tag is set to YES, a side panel will be
# generated containing a tree-like index structure (just like the one that
# is generated for HTML Help). For this to work a browser that supports
# JavaScript and frames is required (for instance Mozilla, Netscape 4.0+,
# or Internet explorer 4.0+). Note that for large projects the tree generation
# can take a very long time. In such cases it is better to disable this feature.
# Windows users are probably better off using the HTML help feature.
# JavaScript, DHTML, CSS and frames is required (for instance Mozilla 1.0+,
# Netscape 6.0+, Internet explorer 5.0+, or Konqueror). Windows users are
# probably better off using the HTML help feature.
GENERATE_TREEVIEW = YES
@ -556,6 +633,17 @@ GENERATE_LATEX = YES
LATEX_OUTPUT = latex
# The LATEX_CMD_NAME tag can be used to specify the LaTeX command name to be
# invoked. If left blank `latex' will be used as the default command name.
LATEX_CMD_NAME = latex
# The MAKEINDEX_CMD_NAME tag can be used to specify the command name to
# generate index for LaTeX. If left blank `makeindex' will be used as the
# default command name.
MAKEINDEX_CMD_NAME = makeindex
# If the COMPACT_LATEX tag is set to YES Doxygen generates more compact
# LaTeX documents. This may be useful for small projects and may help to
# save some trees in general.
@ -600,6 +688,12 @@ USE_PDFLATEX = NO
LATEX_BATCHMODE = NO
# If LATEX_HIDE_INDICES is set to YES then doxygen will not
# include the index chapters (such as File Index, Compound Index, etc.)
# in the output.
LATEX_HIDE_INDICES = NO
#---------------------------------------------------------------------------
# configuration options related to the RTF output
#---------------------------------------------------------------------------
@ -682,6 +776,24 @@ MAN_LINKS = NO
GENERATE_XML = NO
# The XML_OUTPUT tag is used to specify where the XML pages will be put.
# If a relative path is entered the value of OUTPUT_DIRECTORY will be
# put in front of it. If left blank `xml' will be used as the default path.
XML_OUTPUT = xml
# The XML_SCHEMA tag can be used to specify an XML schema,
# which can be used by a validating XML parser to check the
# syntax of the XML files.
XML_SCHEMA =
# The XML_DTD tag can be used to specify an XML DTD,
# which can be used by a validating XML parser to check the
# syntax of the XML files.
XML_DTD =
#---------------------------------------------------------------------------
# configuration options for the AutoGen Definitions output
#---------------------------------------------------------------------------
@ -694,6 +806,39 @@ GENERATE_XML = NO
GENERATE_AUTOGEN_DEF = NO
#---------------------------------------------------------------------------
# configuration options related to the Perl module output
#---------------------------------------------------------------------------
# If the GENERATE_PERLMOD tag is set to YES Doxygen will
# generate a Perl module file that captures the structure of
# the code including all documentation. Note that this
# feature is still experimental and incomplete at the
# moment.
GENERATE_PERLMOD = NO
# If the PERLMOD_LATEX tag is set to YES Doxygen will generate
# the necessary Makefile rules, Perl scripts and LaTeX code to be able
# to generate PDF and DVI output from the Perl module output.
PERLMOD_LATEX = NO
# If the PERLMOD_PRETTY tag is set to YES the Perl module output will be
# nicely formatted so it can be parsed by a human reader. This is useful
# if you want to understand what is going on. On the other hand, if this
# tag is set to NO the size of the Perl module output will be much smaller
# and Perl will parse it just the same.
PERLMOD_PRETTY = YES
# The names of the make variables in the generated doxyrules.make file
# are prefixed with the string contained in PERLMOD_MAKEVAR_PREFIX.
# This is useful so different doxyrules.make files included by the same
# Makefile don't overwrite each other's variables.
PERLMOD_MAKEVAR_PREFIX =
#---------------------------------------------------------------------------
# Configuration options related to the preprocessor
#---------------------------------------------------------------------------
@ -743,7 +888,7 @@ INCLUDE_FILE_PATTERNS =
PREDEFINED =
# If the MACRO_EXPANSION and EXPAND_PREDEF_ONLY tags are set to YES then
# If the MACRO_EXPANSION and EXPAND_ONLY_PREDEF tags are set to YES then
# this tag can be used to specify a list of macro names that should be expanded.
# The macro definition that is found in the sources will be used.
# Use the PREDEFINED tag if you want to use a different macro definition.
@ -752,8 +897,9 @@ EXPAND_AS_DEFINED = YES
# If the SKIP_FUNCTION_MACROS tag is set to YES (the default) then
# doxygen's preprocessor will remove all function-like macros that are alone
# on a line and do not end with a semicolon. Such function macros are typically
# used for boiler-plate code, and will confuse the parser if not removed.
# on a line, have an all uppercase name, and do not end with a semicolon. Such
# function macros are typically used for boiler-plate code, and will confuse the
# parser if not removed.
SKIP_FUNCTION_MACROS = YES
@ -761,7 +907,20 @@ SKIP_FUNCTION_MACROS = YES
# Configuration::addtions related to external references
#---------------------------------------------------------------------------
# The TAGFILES tag can be used to specify one or more tagfiles.
# The TAGFILES option can be used to specify one or more tagfiles.
# Optionally an initial location of the external documentation
# can be added for each tagfile. The format of a tag file without
# this location is as follows:
# TAGFILES = file1 file2 ...
# Adding location for the tag files is done as follows:
# TAGFILES = file1=loc1 "file2 = loc2" ...
# where "loc1" and "loc2" can be relative or absolute paths or
# URLs. If a location is present for each tag, the installdox tool
# does not have to be run to correct the links.
# Note that each tag file must have a unique name
# (where the name does NOT include the path)
# If a tag file is not located in the directory in which doxygen
# is run, you must also specify the path to the tagfile here.
TAGFILES =
@ -792,13 +951,19 @@ PERL_PATH = /usr/bin/perl
#---------------------------------------------------------------------------
# If the CLASS_DIAGRAMS tag is set to YES (the default) Doxygen will
# generate a inheritance diagram (in Html, RTF and LaTeX) for classes with base or
# generate a inheritance diagram (in HTML, RTF and LaTeX) for classes with base or
# super classes. Setting the tag to NO turns the diagrams off. Note that this
# option is superceded by the HAVE_DOT option below. This is only a fallback. It is
# recommended to install and use dot, since it yield more powerful graphs.
# recommended to install and use dot, since it yields more powerful graphs.
CLASS_DIAGRAMS = YES
# If set to YES, the inheritance and collaboration graphs will hide
# inheritance and usage relations if the target is undocumented
# or is not a class.
HIDE_UNDOC_RELATIONS = YES
# If you set the HAVE_DOT tag to YES then doxygen will assume the dot tool is
# available from the path. This tool is part of Graphviz, a graph visualization
# toolkit from AT&T and Lucent Bell Labs. The other options in this section
@ -820,17 +985,17 @@ CLASS_GRAPH = YES
COLLABORATION_GRAPH = YES
# If the UML_LOOK tag is set to YES doxygen will generate inheritance and
# collaboration diagrams in a style similiar to the OMG's Unified Modeling
# Language.
UML_LOOK = NO
# If set to YES, the inheritance and collaboration graphs will show the
# relations between templates and their instances.
TEMPLATE_RELATIONS = YES
# If set to YES, the inheritance and collaboration graphs will hide
# inheritance and usage relations if the target is undocumented
# or is not a class.
HIDE_UNDOC_RELATIONS = YES
# If the ENABLE_PREPROCESSING, SEARCH_INCLUDES, INCLUDE_GRAPH, and HAVE_DOT
# tags are set to YES then doxygen will generate a graph for each documented
# file showing the direct and indirect include dependencies of the file with
@ -845,14 +1010,22 @@ INCLUDE_GRAPH = YES
INCLUDED_BY_GRAPH = YES
# If the CALL_GRAPH and HAVE_DOT tags are set to YES then doxygen will
# generate a call dependency graph for every global function or class method.
# Note that enabling this option will significantly increase the time of a run.
# So in most cases it will be better to enable call graphs for selected
# functions only using the \callgraph command.
CALL_GRAPH = NO
# If the GRAPHICAL_HIERARCHY and HAVE_DOT tags are set to YES then doxygen
# will graphical hierarchy of all classes instead of a textual one.
GRAPHICAL_HIERARCHY = YES
# The DOT_IMAGE_FORMAT tag can be used to set the image format of the images
# generated by dot. Possible values are gif, jpg, and png
# If left blank gif will be used.
# generated by dot. Possible values are png, jpg, or gif
# If left blank png will be used.
DOT_IMAGE_FORMAT = gif
@ -883,6 +1056,17 @@ MAX_DOT_GRAPH_WIDTH = 1024
MAX_DOT_GRAPH_HEIGHT = 1024
# The MAX_DOT_GRAPH_DEPTH tag can be used to set the maximum depth of the
# graphs generated by dot. A depth value of 3 means that only nodes reachable
# from the root by following a path via at most 3 edges will be shown. Nodes that
# lay further from the root node will be omitted. Note that setting this option to
# 1 or 2 may greatly reduce the computation time needed for large code bases. Also
# note that a graph may be further truncated if the graph's image dimensions are
# not sufficient to fit the graph (see MAX_DOT_GRAPH_WIDTH and MAX_DOT_GRAPH_HEIGHT).
# If 0 is used for the depth value (the default), the graph is not depth-constrained.
MAX_DOT_GRAPH_DEPTH = 0
# If the GENERATE_LEGEND tag is set to YES (the default) Doxygen will
# generate a legend page explaining the meaning of the various boxes and
# arrows in the dot generated graphs.
@ -890,7 +1074,7 @@ MAX_DOT_GRAPH_HEIGHT = 1024
GENERATE_LEGEND = YES
# If the DOT_CLEANUP tag is set to YES (the default) Doxygen will
# remove the intermedate dot files that are used to generate
# remove the intermediate dot files that are used to generate
# the various graphs.
DOT_CLEANUP = YES
@ -903,38 +1087,3 @@ DOT_CLEANUP = YES
# used. If set to NO the values of all tags below this one will be ignored.
SEARCHENGINE = NO
# The CGI_NAME tag should be the name of the CGI script that
# starts the search engine (doxysearch) with the correct parameters.
# A script with this name will be generated by doxygen.
CGI_NAME = search.cgi
# The CGI_URL tag should be the absolute URL to the directory where the
# cgi binaries are located. See the documentation of your http daemon for
# details.
CGI_URL = http://blue.caltech.edu/cgi-bin
# The DOC_URL tag should be the absolute URL to the directory where the
# documentation is located. If left blank the absolute path to the
# documentation, with file:// prepended to it, will be used.
DOC_URL = http://blue.caltech.edu/cantera/ref/
# The DOC_ABSPATH tag should be the absolute path to the directory where the
# documentation is located. If left blank the directory on the local machine
# will be used.
DOC_ABSPATH =
# The BIN_ABSPATH tag must point to the directory where the doxysearch binary
# is installed.
BIN_ABSPATH = /usr/bin
# The EXT_DOC_PATHS tag can be used to specify one or more paths to
# documentation generated for other projects. This allows doxysearch to search
# the documentation for these projects as well.
EXT_DOC_PATHS =

View file

@ -3,7 +3,7 @@
<table cellspacing="0" cellpadding="0" border="0" bgcolor="#ffffff" width=100%>
<tr>
<td><div align="center"><i><font face="Arial, Helvetica, sans-serif" color="#66333" size=-1>created by <a href="mailto:dgoodwin@caltech.edu">Prof. David G. Goodwin</a></font> </i></div></td></tr>
<td><div align="center"><i><font face="Arial, Helvetica, sans-serif" color="#66333" size=-1>Copyright (c) 2001 California Institute of Technology</font> </i></div></td></tr></table>
<td><div align="center"><i><font face="Arial, Helvetica, sans-serif" color="#66333" size=-1>Copyright (c) 2003 California Institute of Technology</font> </i></div></td></tr></table>