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[1D] Simplify interface for setting tolerances

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This commit is contained in:
Ray Speth 2013-06-24 15:22:38 +00:00
parent 63b6660632
commit 3e4c944416
6 changed files with 98 additions and 51 deletions
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33
include/cantera/oneD/Domain1D.h
View file

@ -252,19 +252,44 @@ public:
}
//! set the error tolerances for all solution components.
//! @deprecated Use setTransientTolerances() and setSteadyTolerances().
void setTolerances(size_t nr, const doublereal* rtol,
size_t na, const doublereal* atol, int ts = 0);
//! set the error tolerances for solution component \a n.
//! @deprecated Use setTransientTolerances() and setSteadyTolerances().
void setTolerances(size_t n, doublereal rtol, doublereal atol, int ts = 0);
//! set scalar error tolerances. All solution components will
//! have the same relative and absolute error tolerances.
//! set scalar error tolerances. All solution components will have the
//! same relative and absolute error tolerances.
//! @deprecated Use setTransientTolerances() and setSteadyTolerances().
void setTolerances(doublereal rtol, doublereal atol,int ts=0);
void setTolerancesTS(doublereal rtol, doublereal atol);
//! Set tolerances for time-stepping mode
/*!
* @param rtol Relative tolerance
* @param atol Absolute tolerance
* @param n component index these tolerances apply to. If set to -1
* (the default), these tolerances will be applied to all solution
* components.
*/
void setTransientTolerances(doublereal rtol, doublereal atol, size_t n=npos);
void setTolerancesSS(doublereal rtol, doublereal atol);
//! @deprecated use setTransientTolerances()
void setTolerancesTS(doublereal rtol, doublereal atol, size_t n=npos);
//! Set tolerances for steady-state mode
/*!
* @param rtol Relative tolerance
* @param atol Absolute tolerance
* @param n component index these tolerances apply to. If set to -1
* (the default), these tolerances will be applied to all solution
* components.
*/
void setSteadyTolerances(doublereal rtol, doublereal atol, size_t n=npos);
//! @deprecated use setSteadyTolerances()
void setTolerancesSS(doublereal rtol, doublereal atol, size_t n=npos);
//! Relative tolerance of the nth component.
doublereal rtol(size_t n) {

5
interfaces/cython/cantera/_cantera.pxd
View file

@ -365,7 +365,10 @@ cdef extern from "cantera/oneD/Domain1D.h":
void setBounds(size_t, double, double)
double upperBound(size_t)
double lowerBound(size_t)
void setTolerances(size_t, double, double, int)
void setTransientTolerances(double, double)
void setTransientTolerances(double, double, size_t)
void setSteadyTolerances(double, double)
void setSteadyTolerances(double, double, size_t)
double rtol(size_t)
double atol(size_t)
double grid(size_t)

24
interfaces/cython/cantera/onedim.pyx
View file

@ -77,7 +77,15 @@ cdef class Domain1D:
unspecified components. The keyword *Y* can be used to stand for all
species mass fractions in flow domains.
"""
self._set_tolerances(1, default, Y, kwargs)
if default is not None:
self.domain.setSteadyTolerances(default[0], default[1])
if Y is not None:
for n in range(4, self.n_components):
self.domain.setSteadyTolerances(Y[0], Y[1], n)
for name,(lower,upper) in kwargs.items():
self.domain.setSteadyTolerances(lower, upper, self.component_name(name))
def set_transient_tolerances(self, *, default=None, Y=None, **kwargs):
"""
@ -89,21 +97,15 @@ cdef class Domain1D:
unspecified components. The keyword *Y* can be used to stand for all
species mass fractions in flow domains.
"""
self._set_tolerances(-1, default, Y, kwargs)
def _set_tolerances(self, is_transient, default, Y, components):
if default is not None:
for n in range(self.n_components):
self.domain.setTolerances(n, default[0], default[1],
is_transient)
self.domain.setTransientTolerances(default[0], default[1])
if Y is not None:
for n in range(4, self.n_components):
self.domain.setTolerances(n, Y[0], Y[1], is_transient)
self.domain.setTransientTolerances(Y[0], Y[1], n)
for name,(lower,upper) in components.items():
self.domain.setTolerances(self.component_name(name),
lower, upper, is_transient)
for name,(lower,upper) in kwargs.items():
self.domain.setTransientTolerances(lower, upper, self.component_name(name))
def bounds(self, component):
"""

40
src/oneD/Domain1D.cpp
View file

@ -17,6 +17,8 @@ void Domain1D::
setTolerances(size_t nr, const doublereal* rtol,
size_t na, const doublereal* atol, int ts)
{
warn_deprecated("Domain1D::setTolerances",
"Use setTransientTolerances or setSteadyTolerances.");
if (nr < m_nv || na < m_nv)
throw CanteraError("Domain1D::setTolerances",
"wrong array size for solution error tolerances. "
@ -34,6 +36,8 @@ setTolerances(size_t nr, const doublereal* rtol,
void Domain1D::
setTolerances(size_t n, doublereal rtol, doublereal atol, int ts)
{
warn_deprecated("Domain1D::setTolerances",
"Use setTransientTolerances or setSteadyTolerances.");
if (ts >= 0) {
m_rtol_ss[n] = rtol;
m_atol_ss[n] = atol;
@ -47,6 +51,8 @@ setTolerances(size_t n, doublereal rtol, doublereal atol, int ts)
void Domain1D::
setTolerances(doublereal rtol, doublereal atol,int ts)
{
warn_deprecated("Domain1D::setTolerances",
"Use setTransientTolerances or setSteadyTolerances.");
for (size_t n = 0; n < m_nv; n++) {
if (ts >= 0) {
m_rtol_ss[n] = rtol;
@ -59,24 +65,46 @@ setTolerances(doublereal rtol, doublereal atol,int ts)
}
}
void Domain1D::
setTolerancesTS(doublereal rtol, doublereal atol)
void Domain1D::setTransientTolerances(doublereal rtol, doublereal atol, size_t n)
{
for (size_t n = 0; n < m_nv; n++) {
if (n == npos) {
for (n = 0; n < m_nv; n++) {
m_rtol_ts[n] = rtol;
m_atol_ts[n] = atol;
}
} else {
m_rtol_ts[n] = rtol;
m_atol_ts[n] = atol;
}
}
void Domain1D::
setTolerancesSS(doublereal rtol, doublereal atol)
void Domain1D::setTolerancesTS(doublereal rtol, doublereal atol, size_t n)
{
for (size_t n = 0; n < m_nv; n++) {
warn_deprecated("Domain1D::setTolerancesTS",
"Use setTransientTolerances");
setTransientTolerances(rtol, atol, n);
}
void Domain1D::setSteadyTolerances(doublereal rtol, doublereal atol, size_t n)
{
if (n == npos) {
for (n = 0; n < m_nv; n++) {
m_rtol_ss[n] = rtol;
m_atol_ss[n] = atol;
}
} else {
m_rtol_ss[n] = rtol;
m_atol_ss[n] = atol;
}
}
void Domain1D::setTolerancesSS(doublereal rtol, doublereal atol, size_t n)
{
warn_deprecated("Domain1D::setTolerancesSS",
"Use setSteadyTolerances");
setSteadyTolerances(rtol, atol, n);
}
void Domain1D::
eval(size_t jg, doublereal* xg, doublereal* rg,
integer* mask, doublereal rdt)

6
src/oneD/StFlow.cpp
View file

@ -161,10 +161,8 @@ StFlow::StFlow(IdealGasPhase* ph, size_t nsp, size_t points) :
//-------------------- default error tolerances ----------------
vector_fp rtol(m_nv, 1.0e-8);
vector_fp atol(m_nv, 1.0e-15);
setTolerances(rtol.size(), DATA_PTR(rtol), atol.size(), DATA_PTR(atol),false);
setTolerances(rtol.size(), DATA_PTR(rtol), atol.size(), DATA_PTR(atol),true);
setTransientTolerances(1.0e-8, 1.0e-15);
setSteadyTolerances(1.0e-8, 1.0e-15);
//-------------------- grid refinement -------------------------
m_refiner->setActive(0, false);

41
src/oneD/boundaries1D.cpp
View file

@ -122,9 +122,8 @@ init()
setBounds(2, lower, 2, upper);
// set tolerances
vector_fp rtol(2, 1e-4);
vector_fp atol(2, 1.e-5);
setTolerances(2, DATA_PTR(rtol), 2, DATA_PTR(atol));
setSteadyTolerances(1e-4, 1e-5);
setTransientTolerances(1e-4, 1e-5);
// if a flow domain is present on the left, then this must be
// a right inlet. Note that an inlet object can only be a
@ -288,9 +287,8 @@ init() //_init(1);
setBounds(1, &lower, 1, &upper);
// set tolerances
const doublereal rtol = 1e-4;
const doublereal atol = 1.e-4;
setTolerances(1, &rtol, 1, &atol);
setSteadyTolerances(1e-4, 1e-4);
setTransientTolerances(1e-4, 1e-4);
}
void Empty1D::
@ -351,9 +349,8 @@ init()
setBounds(1, &lower, 1, &upper);
// set tolerances
const doublereal rtol = 1e-4;
const doublereal atol = 1.e-4;
setTolerances(1, &rtol, 1, &atol);
setSteadyTolerances(1e-4, 1e-4);
setTransientTolerances(1e-4, 1e-4);
}
void Symm1D::
@ -438,9 +435,8 @@ init()
setBounds(1, &lower, 1, &upper);
// set tolerances
const doublereal rtol = 1e-4;
const doublereal atol = 1.e-4;
setTolerances(1, &rtol, 1, &atol);
setSteadyTolerances(1e-4, 1e-4);
setTransientTolerances(1e-4, 1e-4);
if (m_flow_right) {
m_flow_right->setViscosityFlag(false);
}
@ -565,9 +561,8 @@ init()
setBounds(1, &lower, 1, &upper);
// set tolerances
const doublereal rtol = 1e-4;
const doublereal atol = 1.e-4;
setTolerances(1, &rtol, 1, &atol);
setSteadyTolerances(1e-4, 1e-4);
setTransientTolerances(1e-4, 1e-4);
if (m_flow_left) {
m_flow = m_flow_left;
@ -704,9 +699,8 @@ init()
setBounds(1, &lower, 1, &upper);
// set tolerances
const doublereal rtol = 1e-4;
const doublereal atol = 1.e-4;
setTolerances(1, &rtol, 1, &atol);
setSteadyTolerances(1e-4, 1e-4);
setTransientTolerances(1e-4, 1e-4);
}
void Surf1D::
@ -795,13 +789,10 @@ init()
upper[n+1] = 2.0;
}
setBounds(m_nv, DATA_PTR(lower), m_nv, DATA_PTR(upper));
vector_fp rtol(m_nv), atol(m_nv);
for (size_t n = 0; n < m_nv; n++) {
rtol[n] = 1.0e-5;
atol[n] = 1.0e-9;
}
atol[0] = 1.0e-4;
setTolerances(m_nv, DATA_PTR(rtol), m_nv, DATA_PTR(atol));
setSteadyTolerances(1.0e-5, 1.0e-9);
setTransientTolerances(1.0e-5, 1.0e-9);
setSteadyTolerances(1.0e-5, 1.0e-4, 0);
setTransientTolerances(1.0e-5, 1.0e-4, 0);
}
void ReactingSurf1D::