901ec2f12c
Bypass reading and manipulation of XML files within Matlab, so that XML, CTI, and YAML input files can all be used.
67 lines
2.2 KiB
Matlab
67 lines
2.2 KiB
Matlab
function k = Kinetics(ph, src, id, neighbor1, neighbor2, neighbor3, neighbor4)
|
|
% KINETICS Kinetics class constructor.
|
|
% k = Kinetics(r, ph, neighbor1, neighbor2, neighbor3, neighbor4)
|
|
% Class Kinetics represents kinetics managers, which are classes
|
|
% that manage reaction mechanisms. The reaction mechanism
|
|
% attributes are specified in a CTML file.
|
|
% Instances of class :mat:func:`Kinetics` are responsible for evaluating reaction rates
|
|
% of progress, species production rates, and other quantities pertaining to
|
|
% a reaction mechanism.
|
|
%
|
|
% :param ph:
|
|
% An instance of class :mat:func:`ThermoPhase` representing the phase
|
|
% in which reactions occur
|
|
% :param src:
|
|
% Input string of YAML, CTI, or XML file name.
|
|
% :param id:
|
|
% ID of the phase to import as specified in the input file. (optional)
|
|
% :param neighbor1:
|
|
% Instance of class :mat:func:`ThermoPhase` or :mat:func:`Solution` representing a
|
|
% neighboring phase.
|
|
% :param neighbor2:
|
|
% Instance of class :mat:func:`ThermoPhase` or :mat:func:`Solution` representing a
|
|
% neighboring phase.
|
|
% :param neighbor3:
|
|
% Instance of class :mat:func:`ThermoPhase` or :mat:func:`Solution` representing a
|
|
% neighboring phase.
|
|
% :param neighbor4:
|
|
% Instance of class :mat:func:`ThermoPhase` or :mat:func:`Solution` representing a
|
|
% neighboring phase.
|
|
% :return:
|
|
% Instance of class :mat:func:`Kinetics`
|
|
%
|
|
|
|
% indices for bulk phases in a heterogeneous mechanism.
|
|
% initialize < 0 so that bulk phases will not be included.
|
|
ineighbor1 = -1;
|
|
ineighbor2 = -1;
|
|
ineighbor3 = -1;
|
|
ineighbor4 = -1;
|
|
if nargin == 2
|
|
id = '-';
|
|
end
|
|
|
|
k.owner = 1;
|
|
% get the integer indices used to find the stored objects
|
|
% representing the phases participating in the mechanism.
|
|
iphase = thermo_hndl(ph);
|
|
if nargin > 3
|
|
ineighbor1 = thermo_hndl(neighbor1);
|
|
if nargin > 4
|
|
ineighbor2 = thermo_hndl(neighbor2);
|
|
if nargin > 5
|
|
ineighbor3 = thermo_hndl(neighbor3);
|
|
if nargin > 6
|
|
ineighbor4 = thermo_hndl(neighbor4);
|
|
end
|
|
end
|
|
end
|
|
end
|
|
k.id = kinetics_get(0, 0, src, id, iphase, ineighbor1, ineighbor2, ...
|
|
ineighbor3, ineighbor4);
|
|
if k.id < 0
|
|
error(geterr);
|
|
end
|
|
|
|
k = class(k, 'Kinetics');
|
|
|