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More fixes to new MatlabToolbox

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This commit is contained in:
ssun30 2022-04-22 15:38:12 -04:00 committed by Ray Speth
parent 71fc640f56
commit 2318dd9c21
15 changed files with 382 additions and 103 deletions
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155
interfaces/matlab_experimental/1D/Domain1D.m
View File

@ -2,8 +2,9 @@ classdef Domain1D < handle
properties
domainID
domainType
type
T
P
end
methods
@ -89,17 +90,64 @@ classdef Domain1D < handle
% if d.domainID < 0
% error(geterr);
% end
d.domainType = a;
d.type = a;
end
%% Utility Methods
function domClear(d)
function clear(d)
% Delete the Domain1D object
calllib(ct, 'domain_del', d.domainID);
end
%% Domain Methods
function d = disableEnergy(d)
% Disable the energy equation.
disp(' ');
disp('Disabling the energy equation...');
calllib(ct, 'stflow_solveEnergyEqn', d.domainID, 0);
end
function d = enableEnergy(d)
% Enable the energy equation.
disp(' ');
disp('Enabling the energy equation...');
calllib(ct, 'stflow_solveEnergyEqn', d.domainID, 1);
end
function d = disableSoret(d)
% Disable the diffusive mass fluxes due to the Soret effect.
disp(' ');
disp('Disabling the Soret effect...');
calllib(ct, 'stflow_enableSoret', d.domainID, 0);
end
function d = enableSoret(d)
% Enable the diffusive mass fluxes due to the Soret effect.
disp(' ');
disp('Disabling the Soret effect...');
calllib(ct, 'stflow_enableSoret', d.domainID, 1);
end
%% Domain Get Methods
function b = bounds(d, component)
% Return the (lower, upper) bounds for a solution component.
%
% :param component:
% String name of the component for which the bounds are
% returned.
% :return:
% 1x2 Vector of the lower and upper bounds.
n = d.componentIndex(component);
lower = calllib(ct, 'domain_lowerBound', d.domainID, n);
upper = calllib(ct, 'domain_upperBound', d.domainID, n);
b = [lower, upper];
end
function n = componentIndex(d, name)
% Get the index of a component given its name
@ -151,17 +199,6 @@ classdef Domain1D < handle
end
end
function d = disableEnergy(d)
% Disable the energy equation.
%
% :parameter d:
% Instance of class 'Domain1D'.
disp(' ');
disp('Disabling the energy equation...');
calllib(ct, 'stflow_solveEnergyEqn', d.domainID, 0);
end
function i = domainIndex(d)
% Get the domain index.
% :return:
@ -183,17 +220,7 @@ classdef Domain1D < handle
% This function :returns an integer flag denoting the domain
% type.
i = calllib(ct, 'domainType', d.domainID);
end
function d = enableEnergy(d)
% Enable the energy equation.
% :parameter d:
% Instance of class 'Domain1D'.
disp(' ');
disp('Enabling the energy equation...');
calllib(ct, 'stflow_solveEnergyEqn', d.domainID, 1);
i = calllib(ct, 'domain_type', d.domainID);
end
function zz = gridPoints(d, n)
@ -312,6 +339,54 @@ classdef Domain1D < handle
n = calllib(ct, 'domain_nPoints', d.domainID);
end
function tol = tolerances(d, component)
% Return the (relative, absolute) error tolerances for a
% solution component.
%
% :param component:
% String name of the component for which the bounds are
% returned.
% :return:
% 1x2 Vector of the relative and absolute error tolerances.
n = d.componentIndex(component);
rerr = calllib(ct, 'domain_rtol', d.domainID, n);
aerr = calllib(ct, 'domain_atol', d.domainID, n);
tol = [rerr, aerr];
end
function temperature = get.T(d)
% Get the boundary temperature (K).
temperature = calllib(ct, 'bdry_temperature', d.domainID);
end
function pressure = get.P(d)
% Get the pressure (Pa).
pressure = calllibt(ct, 'stflow_pressure', d.domainID);
end
%% Domain Set Methods
function set.T(d, t)
% Set the temperature (K).
if t <= 0
error('The temperature must be positive');
end
calllib(ct, 'bdry_setTemperature', d.domainID, t);
end
function set.P(d, p)
% Set the pressure (K).
if p <= 0
error('The pressure must be positive');
end
calllib(ct, 'stflow_setPressure', d.domainID, p);
end
function setBounds(d, component, lower, upper)
% Set bounds on the solution components.
% :parameter d:
@ -405,14 +480,6 @@ classdef Domain1D < handle
calllib(ct, 'bdry_setMoleFractions', d.domainID, x);
end
function setPressure(d, p)
% Set the pressure.
% :parameter p:
% Pressure to be set. Unit: Pa.
calllib(ct, 'stflow_setPressure', d.domainID, p);
end
function setProfileD(d, n, p)
% Set the profile of a component.
% Convenience function to allow an instance of 'Domain1D' to
@ -502,19 +569,15 @@ classdef Domain1D < handle
end
end
function temperature = get.T(d)
% Get the boundary temperature (K).
function setTransport(d, itr)
% Set the solution object used for calculating transport
% properties.
%
% :param itr:
% ID of the solution object for which transport properties
% are calculated.
temperature = calllib(ct, 'bdry_temperature', d.domainID);
end
function set.T(d, t)
% Set the temperature (K).
if t <= 0
error('The temperature must be positive');
end
calllib(ct, 'bdry_setTemperature', d.domainID, t);
calllib(ct, 'stflow_setTransport', d.domainID, itr);
end
function setupGrid(d, grid)

36
interfaces/matlab_experimental/1D/Sim1D.m
View File

@ -40,7 +40,7 @@ classdef Stack < handle
%% Utility Methods
function st_clear(s)
function clear(s)
% Delete the Sim1D object
calllib(ct, 'sim1D_del', s.stID);
@ -86,6 +86,12 @@ classdef Stack < handle
end
end
function getInitialSoln(s)
% Get the initial solution.
calllib(ct, 'sim1D_getInitialSoln', s.stID);
end
function z = grid(s, name)
% Get the grid in one domain.
%
@ -194,6 +200,19 @@ classdef Stack < handle
calllib(ct, 'sim1D_save', s.stID, fname, id, desc);
end
function setFixedTemperature(s, T)
% Set the temperature used to fix the spatial location of a
% freely propagating flame.
%
% :parameter T:
% Double Temperature to be set. Unit: K.
if T <= 0
error('temperature must be positive');
end
calllib(ct, 'sim1D_setFixedTemperature', s.stID, T);
end
function setFlatProfile(s, domain, comp, v)
% Set a component to a value across the entire domain.
%
@ -210,6 +229,17 @@ classdef Stack < handle
domain - 1, comp - 1, v);
end
function setGridMin(s, domain, gridmin)
% Set the minimum grid spacing on domain.
%
% :parameter domain:
% Integer ID of the domain.
% :parameter gridmin:
% Double minimum grid spacing.
calllib(ct, 'sim1D_setGridMin', s.stID, domain-1, gridmin);
end
function setMaxJacAge(s, ss_age, ts_age)
% Set the number of times the Jacobian will be used before it
% is recomputed.
@ -406,7 +436,7 @@ classdef Stack < handle
end
end
function solve(s, loglevel, refine_grid)
function solve(s, loglevel, refineGrid)
% Solve the problem.
%
% :parameter s:
@ -418,7 +448,7 @@ classdef Stack < handle
% :parameter refine_grid:
% Integer, 1 to allow grid refinement, 0 to disallow.
calllib(ct, 'sim1D_solve', s.stID, loglevel, refine_grid);
calllib(ct, 'sim1D_solve', s.stID, loglevel, refineGrid);
end
function writeStats(s)

26
interfaces/matlab_experimental/Base/Interface.m
View File

@ -2,6 +2,7 @@ classdef Interface < handle & ThermoPhase & Kinetics
properties
coverages
siteDensity
end
methods
@ -51,6 +52,17 @@ classdef Interface < handle & ThermoPhase & Kinetics
c = pt.Value;
end
function d = get.siteDensity(s)
% Get the site density.
%
% :return:
% Double site density. Unit: kmol/m^2 for surface phases,
% kmol/m for edge phases.
surfID = s.tpID;
d = calllibt(ct, 'surf_siteDensity', surfID);
end
function c = concentrations(s)
% Get the concentrations of the species on an interface.
%
@ -79,7 +91,7 @@ classdef Interface < handle & ThermoPhase & Kinetics
norm_flag = 1;
end
surfID = s.tr_id;
surfID = s.tpID;
nsp = s.nSpecies;
[m, n] = size(cov);
@ -98,5 +110,17 @@ classdef Interface < handle & ThermoPhase & Kinetics
end
end
function set.siteDensity(s, d)
% Set surface site densities.
%
% :parameter density:
% Double site density. Unit: kmol/m^2 for surface phases,
% kmol/m for edge phases.
surfID = s.tpID;
calllib(ct, 'surf_setSiteDensity', surfID, d);
end
end
end

42
interfaces/matlab_experimental/Base/Kinetics.m
View File

@ -364,6 +364,20 @@ classdef Kinetics < handle
enthalpy = pt.Value;
end
function enthalpy = get.dHss(kin)
% Get the standard state enthalpy of reaction for each reaction.
%
% :return:
% A vector of the standard state enthalpy of reaction for each reaction.
% Unit: J/kmol.
nr = kin.nReactions;
xx = zeros(1, nr);
pt = libpointer('doublePtr', xx);
calllib(ct, 'kin_getDelta', kin.kinID, 3, nr, pt);
enthalpy = pt.Value;
end
function entropy = get.dS(kin)
% Get the entropy of reaction for each reaction.
%
@ -378,6 +392,20 @@ classdef Kinetics < handle
entropy = pt.Value;
end
function entropy = get.dSss(kin)
% Get the standard state entropy of reaction for each reaction.
%
% :return:
% A vector of the standard state entropy of reaction for each reaction.
% Unit: J/kmol-K.
nr = kin.nReactions;
xx = zeros(1, nr);
pt = libpointer('doublePtr', xx);
calllib(ct, 'kin_getDelta', kin.kinID, 5, nr, pt);
entropy = pt.Value;
end
function gibbs = get.dG(kin)
% Get the Gibbs free energy of reaction for each reaction.
%
@ -392,6 +420,20 @@ classdef Kinetics < handle
gibbs = pt.Value;
end
function gibbs = get.dGss(kin)
% Get the standard state Gibbs free energy of reaction for each reaction.
%
% :return:
% A vector of the standard state Gibbs free energy of reaction for each
% reaction. Unit: J/kmol.
nr = kin.nReactions;
xx = zeros(1, nr);
pt = libpointer('doublePtr', xx);
calllib(ct, 'kin_getDelta', kin.kinID, 4, nr, pt);
gibbs = pt.Value;
end
function k = get.Kc(kin)
% Get the equilibrium constants for all reactions.
%

79
interfaces/matlab_experimental/Base/Mixture.m
View File

@ -138,10 +138,15 @@ classdef Mixture < handle
pressure = calllib(ct, 'mix_pressure', m.mixID);
end
function n = nPhases(m)
% Get the number of phases in the mixture.
function n = nAtoms(m, k, e)
% Get the number of atoms of element e in species k.
%
% Note: In keeping with the conventions used by Matlab, the
% indices start from 1 instead of 0 as in Cantera C++ and
% Python interfaces.
n = calllib(ct, 'mix_nPhases', m.mixID);
n = calllib(ct, 'mix_nPhases', m.mixID, k-1, e-1);
% Check back on this one!
end
function n = nElements(m)
@ -150,6 +155,12 @@ classdef Mixture < handle
n = calllib(ct, 'mix_nElements', m.mixID);
end
function n = nPhases(m)
% Get the number of phases in the mixture.
n = calllib(ct, 'mix_nPhases', m.mixID);
end
function n = nSpecies(m)
% Get the number of species in the mixture.
@ -167,23 +178,47 @@ classdef Mixture < handle
end
function n = speciesIndex(m, k, p)
% Get the index of element 'name'.
% Get the index of species k in phase p.
%
% :param k:
% Double
% Note: In keeping with the conventions used by Matlab, the
% indices start from 1 instead of 0 as in Cantera C++ and
% Python interfaces.
n = calllib(ct, 'mix_speciesIndex', m.mixID, k-1, p-1) + 1;
% check back on this one!
% Check back on this one!
end
function moles = elementMoles(m, e)
% Get the number of moles of an element in a mixture.
%
% :parameter e:
% Integer element number.
% :return:
% Moles of element number 'e'. If input 'e' is empty, return
% moles of every element in the mixture. Unit: kmol.
if nargin == 2
moles = calllib(ct, 'mix_elementMoles', m.mixID, e)
elseif nargin == 1
nel = m.nElements;
moles = zeros(1, nel);
for i = 1:nel
moles(i) = calllib(ct, 'mix_elementMoles', m.mixID, i);
end
else error('wrong number of arguments');
end
end
function moles = phaseMoles(m, n)
% Get the number of moles of a phase in a mixture.
%
% :parameter n:
% Integer phase number in the input.
% Integer phase number.
% :return:
% Moles of phase number 'n'. Unit: kmol.
% Moles of phase number 'n'. If input 'n' is empty, return
% moles of phase element in the mixture. Unit: kmol.
if nargin == 2
moles = calllib(ct, 'mix_phaseMoles', m.mixID, n);
@ -198,6 +233,28 @@ classdef Mixture < handle
end
end
function moles = speciesMoles(m, k)
% Get the number of moles of a species in a mixture.
%
% :parameter k:
% Integer species number.
% :return:
% Moles of species number 'k'. If input 'k' is empty, return
% moles of every species in the mixture. Unit: kmol.
if nargin == 2
moles = calllib(ct, 'mix_speciesMoles', m.mixID, k);
elseif nargin == 1
nsp = m.nSpecies;
moles = zeros(1, nsp);
for i = 1:nsp
moles(i) = calllib(ct, 'mix_speciesMoles', ...
m.mixID, i);
end
else error('wrong number of arguments');
end
end
function mu = chemPotentials(m)
% Get the chemical potentials of species in the mixture.
%
@ -252,8 +309,14 @@ classdef Mixture < handle
% :parameter moles:
% Vector or string specifying the moles of species.
if isa(moles, 'double')
l = length(moles);
calllib(ct, 'mix_setMoles', m.mixID, l, moles);
elseif isa(moles, 'string')
calllib(ct, 'mix_setMolesByName', m.mixID, moles);
% check back on this one!
else
error('The input must be a vector or string!');
end
end
function r = equilibrate(m, XY, err, maxsteps, maxiter, loglevel)

40
interfaces/matlab_experimental/Func/Func.m
View File

@ -60,8 +60,6 @@ classdef Func < handle
% :return:
% Instance of class :mat:func:`Func`
checklib;
if ~isa(typ, 'char')
error('Function type must be a string');
end
@ -69,24 +67,33 @@ classdef Func < handle
x.f1 = 0;
x.f2 = 0;
x.coeffs = 0;
itype = -1;
function nn = newFunc(itype, n, p)
% helper function to pass the correct :parameters to the C
% library
if itype < 20
ptr = libpointer('doublePtr', p);
[m, n] = size(p);
lenp = m * n;
nn = calllib(ct, 'func_new', type, n, lenp, ptr);
nn = calllib(ct, 'func_new', itype, n, lenp, p);
elseif itype < 45
m = n;
nn = calllib(ct, 'func_new', type, n, m, 0);
nn = calllib(ct, 'func_new', itype, n, m, 0);
else
ptr = libpointer('doublePtr', p);
nn = calllib(ct, 'func_new', type, n, 0, ptr);
nn = calllib(ct, 'func_new', itype, n, 0, p);
end
end
if strcmp(typ, 'polynomial')
itype = 2;
elseif strcmp(typ, 'fourier')
itype = 1;
elseif strcmp(typ, 'arrhenius')
itype = 3;
elseif strcmp(typ, 'gaussian')
itype = 4;
end
if itype > 0
x.coeffs = p;
x.id = newFunc(itype, n, p);
@ -136,25 +143,6 @@ classdef Func < handle
disp(' ');
end
%% Functor methods
function r = plus(a, b)
% Get a functor representing the sum two input functors 'a' and
% 'b'.
r = Func('sum', a, b);
end
function r = rdivide(a, b)
% Get a functor that is the ratio of the input functors 'a' and
% 'b'.
r = Func('ratio', a, b);
end
function r = times(a, b)
% Get a functor that multiplies two functors 'a' and 'b'
r = Func('prod', a, b);
end
function b = subsref(a, s)
% Redefine subscripted references for functors.
%

4
interfaces/matlab_experimental/LoadCantera.m
View File

@ -1,6 +1,6 @@
function LoadCantera
addpath('Class', 'Utility', 'PresetMixtures', 'PresetReactors', ...
'PresetObjects', '1D');
addpath('Class', 'Utility', 'PresetFlowDevices', 'PresetFunctors', ...
'PresetMixtures', 'PresetReactors', 'PresetObjects', '1D');
if ispc
ctname = 'cantera_shared.dll';
elseif ismac

11
interfaces/matlab_experimental/Reactor/FlowDevice.m
View File

@ -107,6 +107,17 @@ classdef FlowDevice < handle
end
end
function setMaster(f, d)
% Set the Master flow device used to compute this device's mass
% flow rate.
if strcmp(f.type, 'PressureController')
k = calllib(ct, 'flowdev_setMaster', f.id, d);
else
error('Master flow device can only be set for pressure controllers.');
end
end
function setValveCoeff(f, k)
% Set the valve coefficient 'K'.
%

11
interfaces/matlab_experimental/Reactor/Reactor.m
View File

@ -74,6 +74,17 @@ classdef Reactor < handle
calllib(ct, 'reactor_del', r.id);
end
function addSensitivityReaction(r, m)
% Specifies that the sensitivity of the state variables with
% respect to reaction m should be computed. The reactor must be
% part of a network first.
%
% :parameter m:
% Index number of reaction.
calllib(ct, 'reactor_addSensitivityReaction', r.id, m);
end
function insert(r, gas)
% Insert a solution or mixture into a reactor.
%

51
interfaces/matlab_experimental/Reactor/ReactorNet.m
View File

@ -4,8 +4,6 @@ classdef ReactorNet < handle
id
time
dt
atol
rtol
end
methods
@ -108,12 +106,23 @@ classdef ReactorNet < handle
calllib(ct, 'reactornet_setMaxTimeStep', r.id, maxstep);
end
function setSensitivityTolerances(r, rerr, aerr)
% Set the error tolerance for sensitivity analysis.
%
% :parameter rerr:
% Scalar relative error tolerance.
% :parameter aerr:
% Scalar absolute error tolerance.
calllib(ct, 'reactornet_setSensitivityTolerances', r.id, rerr, aerr);
end
function setTolerances(r, rerr, aerr)
% Set the error tolerance.
%
% :parameter rtol:
% :parameter rerr:
% Scalar relative error tolerance.
% :parameter atol:
% :parameter aerr:
% Scalar absolute error tolerance.
calllib(ct, 'reactornet_setTolerances', r.id, rerr, aerr);
@ -139,17 +148,35 @@ classdef ReactorNet < handle
t = calllib(ct, 'reactornet_time', r.id);
end
function t = get.rtol(r)
% Get the relative error tolerance
t = calllib(ct, 'reactornet_rtol', r.id);
end
function t = get.atol(r)
% Get the absolute error tolerance
function t = atol(r)
% Get the absolute error tolerance.
t = calllib(ct, 'reactornet_atol', r.id);
end
function t = rtol(r)
% Get the relative error tolerance.
t = calllib(ct, 'reactornet_rtol', r.id);
end
function s = sensitivity(r, component, p, rxtr)
% Get the sensitivity of the solution variable c in reactor
% rxtr with respect to the parameter p.
%
% :param component:
% String name of variable.
% :param p:
% Integer sensitivity parameter.
% :param rxtr:
% Instance of class 'reactor'.
if isa(component, 'string')
calllib(ct, 'reactornet_sensitivity', r.id, component, ...
p, rxtr.id);
end
% Check back on this one to add cases for component type integer.
end
end
end

11
interfaces/matlab_experimental/Reactor/ReactorSurface.m
View File

@ -79,6 +79,17 @@ classdef ReactorSurface < handle
calllib(ct, 'reactorsurface_install', s.surfID, r.id);
end
function addSensitivityReaction(s, r)
% Specifies that the sensitivity of the state variables with
% respect to reaction m should be computed. The surface must be
% installed on a reactor and part of a network first.
%
% :parameter m:
% Index number of reaction.
calllib(ct, 'reactorsurface_addSensitivityReaction', s.surfID, r);
end
%% ReactorSurface get methods
function a = get.area(s)

9
interfaces/matlab_experimental/Reactor/Wall.m
View File

@ -181,6 +181,15 @@ classdef Wall < handle
calllib(ct, 'wall_setHeatTransferCoeff', w.id, u);
end
function setEmissivity(w, epsilon)
% Set the emissivity.
%
% :param epsilon:
% Nondimensional emissivity.
calllib(ct, 'wall_setEmissivity', w.id, epsilon);
end
function setExpansionRateCoeff(w, k)
% Set the expansion rate coefficient.
%

2
samples/matlab_experimental/diff_flame.m
View File

@ -53,7 +53,7 @@ ox.TPX = {tin, p, oxcomp};
% prior, same for the tolerances.
f = AxisymmetricFlow(fuel, 'flow');
f.setPressure(p);
f.P = p;
f.setupGrid(initial_grid);
f.setSteadyTolerances('default', tol_ss{:});
f.setTransientTolerances('default', tol_ts{:});

2
samples/matlab_experimental/flame1.m
View File

@ -50,7 +50,7 @@ gas.TPX = {tburner, p, comp};
%% Create the flow object
f = AxisymmetricFlow(gas, 'flow');
f.setPressure(p);
f.P = p;
f.setupGrid(initial_grid);
f.setSteadyTolerances('default', tol_ss{:});
f.setTransientTolerances('default', tol_ts{:});

2
samples/matlab_experimental/flame2.m
View File

@ -49,7 +49,7 @@ gas.TPX = {tin, p, comp2};
%% Create the flow object
%
f = AxisymmetricFlow(gas,'flow');
f.setPressure(p);
f.P = p;
f.setupGrid(initial_grid);
f.setSteadyTolerances('default', tol_ss{:});
f.setTransientTolerances('default', tol_ts{:});