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add docstring and fix evalResidual

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bangshiuh 2017-08-14 10:03:55 -04:00 • committed by Ray Speth
parent 2472e080c3
commit a99004d8ef
4 changed files with 14 additions and 7 deletions
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4
include/cantera/oneD/IonFlow.h
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@ -79,6 +79,10 @@ public:
vector_fp& mobi_e_fixed); vector_fp& mobi_e_fixed);
protected: protected:
/*!
* This function overloads the original function. The residual function
* of Poisson's equation is added.
*/
virtual void evalResidual(double* x, double* rsd, int* diag, virtual void evalResidual(double* x, double* rsd, int* diag,
double rdt, size_t jmin, size_t jmax); double rdt, size_t jmin, size_t jmax);
virtual void updateTransport(double* x, size_t j0, size_t j1); virtual void updateTransport(double* x, size_t j0, size_t j1);

8
include/cantera/oneD/StFlow.h
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@ -242,9 +242,13 @@ protected:
m_kin->getNetProductionRates(&m_wdot(0,j)); m_kin->getNetProductionRates(&m_wdot(0,j));
} }
virtual void updateProperties(size_t jg, double* x, double* rsd, int* diag, //! Update the properties (thermo, transport, and diffusion flux).
double rdt, size_t jmin, size_t jmax); //! This function is called in eval after the points which need
//! to be updated are defined.
virtual void updateProperties(size_t jg, double* x, size_t jmin, size_t jmax);
//! Evaluate the residual function. This function is called in eval
//! after updateProperties is called.
virtual void evalResidual(double* x, double* rsd, int* diag, virtual void evalResidual(double* x, double* rsd, int* diag,
double rdt, size_t jmin, size_t jmax); double rdt, size_t jmin, size_t jmax);

4
interfaces/cython/cantera/onedim.py
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@ -547,10 +547,10 @@ class IonFlame(FreeFlame):
csvfile = open(filename, 'w') csvfile = open(filename, 'w')
writer = _csv.writer(csvfile) writer = _csv.writer(csvfile)
writer.writerow(['z (m)', 'u (m/s)', 'V (1/s)', 'T (K)', writer.writerow(['z (m)', 'u (m/s)', 'V (1/s)', 'T (K)',
'phi (V)', 'E (V/m)', 'rho (kmol/m3)'] + self.gas.species_names) 'phi (V)', 'E (V/m)', 'rho (kg/m3)'] + self.gas.species_names)
for n in range(self.flame.n_points): for n in range(self.flame.n_points):
self.set_gas_state(n) self.set_gas_state(n)
writer.writerow([z[n], u[n], V[n], T[n], phi[n], E[n], self.gas.density_mole] + writer.writerow([z[n], u[n], V[n], T[n], phi[n], E[n], self.gas.density] +
list(getattr(self.gas, species))) list(getattr(self.gas, species)))
csvfile.close() csvfile.close()
if not quiet: if not quiet:

5
src/oneD/StFlow.cpp
View file

@ -240,12 +240,11 @@ void StFlow::eval(size_t jg, doublereal* xg,
jmax = std::min(jpt+1,m_points-1); jmax = std::min(jpt+1,m_points-1);
} }
updateProperties(jg, x, rsd, diag, rdt, jmin, jmax); updateProperties(jg, x, jmin, jmax);
evalResidual(x, rsd, diag, rdt, jmin, jmax); evalResidual(x, rsd, diag, rdt, jmin, jmax);
} }
void StFlow::updateProperties(size_t jg, double* x, double* rsd, int* diag, void StFlow::updateProperties(size_t jg, double* x, size_t jmin, size_t jmax)
double rdt, size_t jmin, size_t jmax)
{ {
// properties are computed for grid points from j0 to j1 // properties are computed for grid points from j0 to j1
size_t j0 = std::max<size_t>(jmin, 1) - 1; size_t j0 = std::max<size_t>(jmin, 1) - 1;