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This commit is contained in:
Dave Goodwin 2003-09-09 19:33:36 +00:00
parent 9b779faab9
commit f238409026
19 changed files with 66 additions and 121 deletions
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8
Cantera/clib/src/ctonedim.cpp
View file

@ -447,6 +447,14 @@ extern "C" {
catch (CanteraError) { return -1; }
}
int DLL_EXPORT sim1D_getInitialSoln(int i) {
try {
_sim1D(i)->getInitialSoln();
return 0;
}
catch (CanteraError) { return -1; }
}
int DLL_EXPORT sim1D_solve(int i, int loglevel, int refine_grid) {
try {
bool r = (refine_grid == 0 ? false : true);

1
Cantera/clib/src/ctonedim.h
View file

@ -58,6 +58,7 @@ extern "C" {
int DLL_IMPORT sim1D_setFlatProfile(int i, int dom, int comp, double v);
int DLL_IMPORT sim1D_showSolution(int i, char* fname);
int DLL_IMPORT sim1D_setTimeStep(int i, double stepsize, int ns, int* nsteps);
int DLL_IMPORT sim1D_getInitialSoln(int i);
int DLL_IMPORT sim1D_solve(int i, int loglevel, int refine_grid);
int DLL_IMPORT sim1D_refine(int i, int loglevel);
int DLL_IMPORT sim1D_setRefineCriteria(int i, int dom, double ratio,

2
Cantera/matlab/cantera/examples/catcomb.m
View file

@ -191,7 +191,7 @@ set(inlt,'X',comp2);
setRefineCriteria(sim1D, 2, 100.0, 0.15, 0.2);
% solve the problem for the final time
solve(sim1D, 1, refine_grid);
solve(sim1D, loglevel, refine_grid); %refine_grid);
% show the solution
sim1D

9
Cantera/matlab/cantera/examples/flame1.m
View file

@ -21,16 +21,16 @@ comp = 'H2:1.8, O2:1, AR:7'; % premixed gas composition
initial_grid = [0.0 0.02 0.04 0.06 0.08 0.1 ...
0.15 0.2 0.4 0.49 0.5]; % m
tol_ss = [1.0e-5 1.0e-9]; % [rtol atol] for steady-state
tol_ss = [1.0e-5 1.0e-13]; % [rtol atol] for steady-state
% problem
tol_ts = [1.0e-3 1.0e-4]; % [rtol atol] for time stepping
tol_ts = [1.0e-4 1.0e-9]; % [rtol atol] for time stepping
loglevel = 1; % amount of diagnostic output (0
% to 5)
refine_grid = 1; % 1 to enable refinement, 0 to
% disable
max_jacobian_age = [5, 10];
%%%%%%%%%%%%%%%% create the gas object %%%%%%%%%%%%%%%%%%%%%%%%
%
@ -78,12 +78,13 @@ s = Outlet('out');
% to create the flame object.
%
fl = flame(gas, burner, f, s);
setMaxJacAge(fl, max_jacobian_age(1), max_jacobian_age(2));
% if the starting solution is to be read from a previously-saved
% solution, uncomment this line and edit the file name and solution id.
%restore(fl,'h2flame2.xml', 'energy')
solve(fl, 1, refine_grid);
solve(fl, loglevel, refine_grid);
%%%%%%%%%%%% enable the energy equation %%%%%%%%%%%%%%%%%%%%%
%

1
Cantera/python/Cantera/OneD/BurnerFlame.py
View file

@ -25,6 +25,7 @@ class BurnerFlame(Stack):
def init(self):
"""Set the initial guess for the solution."""
self.getInitialSoln()
gas = self.gas
nsp = gas.nSpecies()
yin = Numeric.zeros(nsp, 'd')

2
Cantera/python/Cantera/OneD/CounterFlame.py
View file

@ -51,7 +51,7 @@ class CounterFlame(Stack):
The initial guess is generated by assuming infinitely-fast
chemistry."""
self.getInitialSoln()
gas = self.gas
nsp = gas.nSpecies()
wt = gas.molecularWeights()

24
Cantera/python/Cantera/OneD/StagnationFlow.py
View file

@ -17,8 +17,7 @@ class StagnationFlow(Stack):
self.setRefineCriteria()
self._initialized = 0
def init(self):
def init(self, products = 'inlet'):
"""Set the initial guess for the solution."""
self.getInitialSoln()
gas = self.gas
@ -36,13 +35,24 @@ class StagnationFlow(Stack):
zz = self.flow.grid()
dz = zz[-1] - zz[0]
locs = Numeric.array([0.0, 1.0],'d')
if products == 'equil':
gas.equilibrate('HP')
teq = gas.temperature()
yeq = gas.massFractions()
locs = Numeric.array([0.0, 0.3, 0.7, 1.0],'d')
self.setProfile('T', locs, [t0, teq, teq, tsurf])
for n in range(nsp):
self.setProfile(gas.speciesName(n), locs, [yin[n], yeq[n], yeq[n], yeq[n]])
else:
locs = Numeric.array([0.0, 1.0],'d')
self.setProfile('T', locs, [t0, tsurf])
for n in range(nsp):
self.setProfile(gas.speciesName(n), locs, [yin[n], yin[n]])
locs = Numeric.array([0.0, 1.0],'d')
self.setProfile('u', locs, [u0, 0.0])
self.setProfile('V', locs, [V0, V0])
self.setProfile('T', locs, [t0, tsurf])
for n in range(nsp):
self.setProfile(gas.speciesName(n), locs, [yin[n], yin[n]])
self._initialized = 1

6
Cantera/python/examples/rxnpath2.py
View file

@ -60,8 +60,8 @@ fmt = 'svg'
print 'writing dot file',output_file+'...'
#rxnpath.write(gas, element, join(output_dir, output_file), d)
rxnpath.write(gas, element, output_file, d)
os.system('scp '+output_file+' blue:/var/www/html')
print 'generating browser view...'
rxnpath.view(url, fmt)
#os.system('scp '+output_file+' blue:/var/www/html')
#print 'generating browser view...'
#rxnpath.view(url, fmt)

84
Cantera/python/examples/stflame2.py
View file

@ -1,84 +0,0 @@
"""
A stagnation-point flame using GRI-Mech 3.0.
In this script, a hydrogen / oxygen / argon flame is first solved,
and then used as the starting estimate for a methane / oxygen / argon
flame.
"""
from Cantera.flame import *
from Cantera import units
# start with only a hydrogen/oxygen mechanism
gas = IdealGasMix('h2o2.cti')
flame = StagnationFlame(
domain = (0, 0.02),
fuel = 'H2:1',
oxidizer = 'O2:1, AR:4',
gas = gas,
grid = [0.0, 0.0025, 0.005, 0.0075, 0.01, 0.016, 0.02]
)
flame.set(mdot = 0.4,
equiv_ratio = 0.9,
T_burner = 373.7,
T_surface = 600.0,
pressure = 1.0 * units.atm,
tol = (1.e-7, 1.e-11),
timesteps = ([1,2,5,10,20], 1.e-5),
refine = (10.0, 1.0, 1.0),
jac_age = (50, 50),
)
# first solve the fixed-temperature problem
flame.set(energy = 'off')
flame.solve(1)
# now enable the energy equation, and specify that rough
# grid refinement should be done
flame.set(energy = 'on', refine = (3.0, 0.9, 0.9))
flame.solve(1)
flame.save('energy','h2/o2 soln with energy equation', 'h2.xml')
#-----------------------------------------------------------
# Now construct the methane flame using GRI-Mech 3.0
gas2 = GRI30(transport = 'Mix')
flame2 = StagnationFlame(
domain = (0, 0.02),
fuel = 'CH4:1',
oxidizer = 'O2:1, AR:4',
gas = gas2,
grid = [0.0, 0.0025, 0.005, 0.0075, 0.01, 0.016, 0.02]
)
flame2.set(mdot = 0.8,
equiv_ratio = 0.9,
T_burner = 373.7,
T_surface = 600.0,
pressure = 1.0 * units.atm,
tol = (1.e-7, 1.e-11),
timesteps = ([1,2,5], 1.e-5),
refine = (2.0, 0.1, 0.2),
jac_age = (50, 50),
)
# Use the hydrogen results as the starting guess.
flame2.restore(src = 'h2.xml', solution = 'energy')
flame2.set(energy = 'on')
flame2.solve(1)
flame2.show()
# write plot files
flame2.plot(plotfile = 'stflame2.dat', title = 'methane/air flame',
fmt = 'TECPLOT')
flame2.plot(plotfile = 'stflame2.csv', fmt = 'EXCEL')
print 'Solution written to TECPLOT file stflame2.dat and Excel CSV file stflame2.csv'
flame2.showStatistics()

12
Cantera/python/src/ctonedim_methods.cpp
View file

@ -721,6 +721,18 @@ py_sim1D_setRefineCriteria(PyObject *self, PyObject *args)
}
static PyObject *
py_sim1D_getInitialSoln(PyObject *self, PyObject *args)
{
int i, iok;
if (!PyArg_ParseTuple(args, "i:sim1D_getInitialSoln", &i))
return NULL;
iok = sim1D_getInitialSoln(i);
if (iok == -1) return reportCanteraError();
return Py_BuildValue("i",iok);
}
static PyObject *
py_sim1D_save(PyObject *self, PyObject *args)
{

1
Cantera/python/src/methods.h
View file

@ -169,6 +169,7 @@ static PyMethodDef ct_methods[] = {
{"sim1D_setFlatProfile", py_sim1D_setFlatProfile, METH_VARARGS},
{"sim1D_showSolution", py_sim1D_showSolution, METH_VARARGS},
{"sim1D_setTimeStep", py_sim1D_setTimeStep, METH_VARARGS},
{"sim1D_getInitialSoln", py_sim1D_getInitialSoln, METH_VARARGS},
{"sim1D_solve", py_sim1D_solve, METH_VARARGS},
{"sim1D_refine", py_sim1D_refine, METH_VARARGS},
{"sim1D_setRefineCriteria", py_sim1D_setRefineCriteria, METH_VARARGS},

12
Cantera/src/CVode.h
View file

@ -23,11 +23,6 @@
#include "ctexceptions.h"
#include "ct_defs.h"
// cvode includes
//#include "cvode/nvector.h"
//#include "cvode/cvode.h"
namespace Cantera {
/**
@ -74,8 +69,7 @@ namespace Cantera {
int m_neq;
void* m_cvode_mem;
double m_t0;
void *m_y, *m_abstol; //N_Vector m_y;
//N_Vector m_abstol;
void *m_y, *m_abstol;
int m_type;
int m_itol;
int m_method;
@ -87,9 +81,7 @@ namespace Cantera {
double m_hmax;
vector_fp m_ropt;
//vector_int m_iopt;
long int* m_iopt; //[OPT_SIZE];
//N_Vector m_yprime;
long int* m_iopt;
void* m_data;
};

2
Cantera/src/Integrator.h
View file

@ -62,6 +62,8 @@ namespace Cantera {
public:
virtual ~Integrator() {}
/** Set or reset the number of equations. */
//virtual void resize(int n)=0;

2
Cantera/src/ct2ctml.cpp
View file

@ -57,7 +57,7 @@ namespace ctml {
"The Cantera Python interface is required in order to process\n"
"Cantera input files, but it does not seem to be correctly installed.\n\n"
"Check that you can invoke the Python interpreter with \n"
"the command \"python\", and that typing \"from Cantera import *\"\n"
"the command \"python\", and that typing \"from Cantera import *\" \n"
"at the Python prompt does not produce an error. If Python on your system\n"
"is invoked with some other command, set environment variable PYTHON_CMD\n"
"to the full path to the Python interpreter. \n\n"

2
Cantera/src/oneD/Inlet1D.h
View file

@ -354,7 +354,7 @@ namespace Cantera {
virtual void showSolution(const doublereal* x) {
char buf[80];
sprintf(buf, " Temperature: %10.4g K \n", m_temp);
sprintf(buf, " Temperature: %10.4g K \n", x[0]);
writelog(buf);
writelog(" Coverages: \n");
for (int k = 0; k < m_nsp; k++) {

10
Cantera/src/oneD/MultiNewton.cpp
View file

@ -121,9 +121,9 @@ namespace Cantera {
step[n] = -step[n];
}
//try {
jac.solve(sz, step, step);
//}
//catch (CanteraError) {
jac.solve(sz, step, step);
//}
//catch (CanteraError) {
#undef DEBUG_STEP
#ifdef DEBUG_STEP
bool ok = false;
@ -141,7 +141,7 @@ namespace Cantera {
}
#endif
//throw CanteraError("step","step error");
//}
// }
}
@ -272,7 +272,6 @@ namespace Cantera {
int MultiNewton::solve(doublereal* x0, doublereal* x1,
OneDim& r, MultiJac& jac, int loglevel) {
clock_t t0 = clock();
int m = 0;
bool forceNewJac = false;
doublereal s1=1.e30;
@ -308,7 +307,6 @@ namespace Cantera {
// increment the Jacobian age
jac.incrementAge();
//cout << jac.age() << endl;
// damp the Newton step
m = dampStep(x, stp, x1, stp1, s1, r, jac, loglevel-1, frst);

1
Cantera/src/oneD/OneDim.h
View file

@ -146,7 +146,6 @@ namespace Cantera {
void setMaxTimeStep(doublereal tmax) { m_tmax = tmax; }
void setTimeStepFactor(doublereal tfactor) { m_tfactor = tfactor; }
void setJacAge(int ss_age, int ts_age=-1) {
cout << "setting jac age " << ss_age << " " << ts_age << endl;
m_ss_jac_age = ss_age;
if (ts_age > 0)
m_ts_jac_age = ts_age;

7
Cantera/src/oneD/Sim1D.cpp
View file

@ -26,9 +26,7 @@ namespace Cantera {
m_x.resize(size(), 0.0);
m_xnew.resize(size(), 0.0);
for (int n = 0; n < m_nd; n++) {
// writelog("calling domain "+int2str(n)+" _getInitialSoln\n");
domain(n)._getInitialSoln(m_x.begin() + start(n));
// writelog("ret\n");
}
// set some defaults
@ -178,6 +176,11 @@ namespace Cantera {
}
}
void Sim1D::getInitialSoln() {
for (int n = 0; n < m_nd; n++) {
domain(n)._getInitialSoln(m_x.begin() + start(n));
}
}
void Sim1D::finalize() {
for (int n = 0; n < m_nd; n++) {

1
Cantera/src/oneD/Sim1D.h
View file

@ -90,6 +90,7 @@ namespace Cantera {
doublereal slope = 0.8, doublereal curve = 0.8, doublereal prune = -0.1);
void restore(string fname, string id);
void getInitialSoln();
protected: