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docstring updates & eval() signature update

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Christopher Neal 2023-09-07 15:11:41 -04:00 committed by Ingmar Schoegl
parent b87e6d8043
commit c40de97079
2 changed files with 52 additions and 23 deletions
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58
include/cantera/oneD/StFlow.h
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@ -280,10 +280,10 @@ public:
}
/**
* Evaluate the residual functions for axisymmetric stagnation flow. If j == npos,
* the residual function is evaluated at all grid points. Otherwise, the residual
* function is only evaluated at grid points j-1, j, and j+1. This option is used
* to efficiently evaluate the Jacobian numerically.
* Evaluate the residual functions for axisymmetric stagnation flow.
* If jGlobal == npos, the residual function is evaluated at all grid points.
* Otherwise, the residual function is only evaluated at grid points j-1, j,
* and j+1. This option is used to efficiently evaluate the Jacobian numerically.
*
* These residuals at all the boundary grid points are evaluated using a default
* boundary condition that may be modified by a boundary object that is attached
@ -291,8 +291,17 @@ public:
* subtracting the boundary object's values for V, T, mdot, etc. As a result,
* these residual equations will force the solution variables to the values of
* the connected boundary object.
*
* @param jGlobal Global grid point at which to update the residual
* @param[in] xGlobal Global state vector
* @param[out] rsdGlobal Global residual vector
* @param[out] diagGlobal Global boolean mask indicating whether each solution
* component has a time derivative (1) or not (0).
* @param[in] rdt Reciprocal of the timestep (`rdt=0` implies steady-
* state.)
*/
void eval(size_t j, double* x, double* r, integer* mask, double rdt) override;
void eval(size_t jGlobal, double* xGlobal, double* rsdGlobal,
integer* diagGlobal, double rdt) override;
//! Index of the species on the left boundary with the largest mass fraction
size_t leftExcessSpecies() const {
@ -351,11 +360,19 @@ protected:
* The continuity equation propagates information away from a fixed temperature
* point that is set in the domain.
*
* Unstrained flame: specified mass flux; the main example being
* burner-stabilized flames.
* Unstrained flame:
* A specified mass flux; the main example being burner-stabilized flames.
*
* The default boundary condition for the continuity equation is zero velocity
* (@f$ u @f$) at the left and right boundary.
*
* @param [in] x State vector, which includes variables like temperature, density, etc.
* @param [out] rsd Residual vector where the continuity equation residuals are stored.
* @param [out] diag Diagonal matrix that controls whether an entry has a
* time-derivative (used by the solver).
* @param [in] rdt Reciprocal of the timestep.
* @param [in] jmin The index for the starting point in the grid.
* @param [in] jmax The index for the ending point in the grid.
*/
virtual void evalContinuity(double* x, double* rsd, int* diag,
double rdt, size_t jmin, size_t jmax);
@ -366,7 +383,7 @@ protected:
* The function calculates the radial momentum equation defined as
* @f[
* \rho u \frac{dV}{dz} + \rho V^2 =
* \frac{d(\mu \frac{dV}{dz})}{dz} - \Lambda
* \frac{d}{dz}\left( \mu \frac{dV}{dz} \right) - \Lambda
* @f]
*
* The radial momentum equation is used for axisymmetric flows, and incorporates
@ -387,8 +404,8 @@ protected:
*
* The lambda equation serves as an eigenvalue that allows the momentum
* equation and continuity equations to be simultaneously satisfied in
* axisymmetric flows. The lambda equation propgates information from
* left-to-right. The default boundary condition is zero (@f$ \Lambda @f$)
* axisymmetric flows. The lambda equation propagates information from
* left-to-right. The default boundary condition is @f$ \Lambda = 0 @f$
* at the left and zero flux at the right boundary.
*/
virtual void evalLambda(double* x, double* rsd, int* diag,
@ -399,9 +416,10 @@ protected:
*
* The function calculates the energy equation:
* @f[
* \rho c_p u \frac{dT}{dz} =
* \frac{d(k \frac{dT}{dz})}{dz} - \sum_k (\omega_k h_{k_{\text{ref}}}) -
* \sum_k \left( \frac{J_k c_{p_k}}{M_k} \frac{dT}{dz} \right)
* \rho c_p u \frac{dT}{dz} =
* \frac{d}{dz}\left( \lambda \frac{dT}{dz} \right)
* - \sum_k h_kW_k\dot{\omega}_k
* - \sum_k j_k \frac{dh_k}{dz}
* @f]
*
* The energy equation includes contributions from
@ -417,7 +435,7 @@ protected:
*
* The function calculates the species equations as
* @f[
* \rho u \frac{dY_k}{dz} + \frac{dJ_k}{dz} = M_k\omega_k
* \rho u \frac{dY_k}{dz} + \frac{dj_k}{dz} = W_k\dot{\omega}_k
* @f]
*
* The species equations include terms for temporal and spatial variations
@ -430,7 +448,7 @@ protected:
/**
* Evaluate the electric field equation residual to be zero everywhere.
*
* The electric field equation is implemnted in the IonFlow class. The default
* The electric field equation is implemented in the IonFlow class. The default
* boundary condition is zero electric field (@f$ E @f$) at the boundary,
* and @f$ E @f$ is zero within the domain.
*/
@ -440,6 +458,16 @@ protected:
/**
* Update the thermodynamic properties from point j0 to point j1
* (inclusive), based on solution x.
*
* The gas state is set to be consistent with the solution at the
* points from j0 to j1.
*
* Properties that are computed and cached are:
* * #m_rho (density)
* * #m_wtm (mean molecular weight)
* * #m_cp (specific heat capacity)
* * #m_hk (species specific enthalpies)
* * #m_wdot (species production rates)
*/
void updateThermo(const double* x, size_t j0, size_t j1) {
for (size_t j = j0; j <= j1; j++) {

17
src/oneD/StFlow.cpp
View File

@ -293,30 +293,31 @@ void StFlow::_finalize(const double* x)
}
}
void StFlow::eval(size_t j_global, double* x_global, double* rsd_global, integer* diag_global, double rdt)
void StFlow::eval(size_t jGlobal, double* xGlobal, double* rsdGlobal,
integer* diagGlobal, double rdt)
{
// If evaluating a Jacobian, and the global point is outside the domain of
// influence for this domain, then skip evaluating the residual
if (j_global != npos && (j_global + 1 < firstPoint() || j_global > lastPoint() + 1)) {
if (jGlobal != npos && (jGlobal + 1 < firstPoint() || jGlobal > lastPoint() + 1)) {
return;
}
// start of local part of global arrays
double* x = x_global + loc();
double* rsd = rsd_global + loc();
integer* diag = diag_global + loc();
double* x = xGlobal + loc();
double* rsd = rsdGlobal + loc();
integer* diag = diagGlobal + loc();
size_t jmin, jmax;
if (j_global == npos) { // evaluate all points
if (jGlobal == npos) { // evaluate all points
jmin = 0;
jmax = m_points - 1;
} else { // evaluate points for Jacobian
size_t jpt = (j_global == 0) ? 0 : j_global - firstPoint();
size_t jpt = (jGlobal == 0) ? 0 : jGlobal - firstPoint();
jmin = std::max<size_t>(jpt, 1) - 1;
jmax = std::min(jpt+1,m_points-1);
}
updateProperties(j_global, x, jmin, jmax);
updateProperties(jGlobal, x, jmin, jmax);
if (m_do_radiation) { // Calculation of qdotRadiation
computeRadiation(x, jmin, jmax);