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[Doc] Document definition of the sensitivity coefficient

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This commit is contained in:
Ray Speth 2015-02-12 04:04:55 +00:00
parent 71d57330b6
commit 170d50676a
2 changed files with 33 additions and 10 deletions
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16
include/cantera/zeroD/ReactorNet.h
View file

@ -150,8 +150,19 @@ public:
//! the values in the solution vector *y*.
void updateState(doublereal* y);
//! Return the sensitivity of the *k*-th solution component with
//! respect to the *p*-th sensitivity parameter.
//! Return the sensitivity of the *k*-th solution component with respect to
//! the *p*-th sensitivity parameter.
/*!
* The normalized sensitivity coefficient \f$ S_{ki} \f$ of solution
* variable \f$ y_k \f$ with respect to sensitivity parameter \f$ p_i \f$
* is defined as:
*
* \f[ S_{ki} = \frac{p_i}{y_k} \frac{\partial y_k}{\partial p_i} \f]
*
* For reaction sensitivities, the parameter is a multiplier on the forward
* rate constant (and implicitly on the reverse rate constant for
* reversible reactions).
*/
double sensitivity(size_t k, size_t p) {
if (!m_init) {
initialize();
@ -161,6 +172,7 @@ public:
//! Return the sensitivity of the component named *component* with respect to
//! the *p*-th sensitivity parameter.
//! @copydetails ReactorNet::sensitivity(size_t, size_t)
double sensitivity(const std::string& component, size_t p, int reactor=0) {
size_t k = globalComponentIndex(component, reactor);
return sensitivity(k, p);

27
interfaces/cython/cantera/reactor.pyx
View file

@ -854,9 +854,10 @@ cdef class ReactorNet:
Returns the sensitivity of the solution variable *component* in
reactor *r* with respect to the parameter *p*. *component* can be a
string or an integer. See `component_index` and `sensitivities` to
determine the integer index for the variables. If it is not given, *r*
defaults to the first reactor. Returns an empty array until the first
time step is taken.
determine the integer index for the variables and the definition of the
resulting sensitivity coefficient. If it is not given, *r* defaults to
the first reactor. Returns an empty array until the first time step is
taken.
"""
if isinstance(component, int):
return self.net.sensitivity(component, p)
@ -864,12 +865,22 @@ cdef class ReactorNet:
return self.net.sensitivity(stringify(component), p, r)
def sensitivities(self):
"""
r"""
Returns the senstivities of all of the solution variables with respect
to all of the registered parameters. The sensitivities are returned in
an array with dimensions *(n_vars, n_sensitivity_params)*, unless no
timesteps have been taken, in which case the shape is
*(0, n_sensitivity_params)*. The order of the variables (i.e. rows) is:
to all of the registered parameters. The normalized sensitivity
coefficient :math:`S_{ki}` of the solution varible :math:`y_k` with
respect to sensitivity parameter :math:`p_i` is defined as:
.. math:: S_{ki} = \frac{p_i}{y_k} \frac{\partial y_k}{\partial p_i}
For reaction sensitivities, the parameter is a multiplier on the forward
rate constant (and implicitly on the reverse rate constant for
reversible reactions).
The sensitivities are returned in an array with dimensions *(n_vars,
n_sensitivity_params)*, unless no timesteps have been taken, in which
case the shape is *(0, n_sensitivity_params)*. The order of the
variables (i.e. rows) is:
`Reactor` or `IdealGasReactor`: