Matlab toolbox revamp

interfaces/matlab_experimental/Base/CarbonDioxide.m

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+function c = CarbonDioxide()
+    % Return an object representing carbon dioxide. ::
+    %
+    %     >> c = CarbonDioxide
+    %
+    % The object returned by this method implements an accurate equation of
+    % state for carbon dioxide that can be used in the liquid, vapor, saturated
+    % liquid/vapor, and supercritical regions of the phase diagram. The
+    % equation of state is taken from
+    %
+    % Reynolds, W. C. *Thermodynamic Properties in SI: graphs, tables, and
+    % computational equations for forty substances.* Stanford: Stanford
+    % University, 1979. Print.
+    %
+    % For more details, see classes Cantera::PureFluid and tpx::CarbonDioxide in the
+    % Cantera C++ source code documentation.
+    %
+    % :return:
+    %     Instance of class :mat:class:`Solution`.
+
+    c = Solution('liquidvapor.yaml', 'carbon-dioxide');
+end

interfaces/matlab_experimental/Base/HFC134a.m

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+function h = HFC134a()
+    % Return an object representing refrigerant HFC134a. ::
+    %
+    %     >> h = HFC134a()
+    %
+    % The object returned by this method implements an accurate equation of
+    % state for refrigerant HFC134a (R134a) that can be used in the liquid,
+    % vapor, saturated liquid/vapor, and supercritical regions of the phase
+    % diagram. Implements the equation of state given in:
+    %
+    % R. Tillner-Roth and H. D. Baehr. "An International Standard Formulation for
+    % The Thermodynamic Properties of 1,1,1,2-Tetrafluoroethane (HFC-134a) for
+    % Temperatures From 170 K to 455 K and Pressures up to 70 MPa". J. Phys.
+    % Chem. Ref. Data, Vol. 23, No. 5, 1994. pp. 657--729.
+    % http://dx.doi.org/10.1063/1.555958
+    %
+    % For more details, see classes Cantera::PureFluid and tpx::HFC134a in the
+    % Cantera C++ source code documentation.
+    %
+    % :return:
+    %     Instance of class :mat:class:`Solution`.
+
+    h = Solution('liquidvapor.yaml', 'HFC-134a');
+end

interfaces/matlab_experimental/Base/Heptane.m

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+function h = Heptane
+    % Return an object representing n-heptane. ::
+    %
+    %     >> h = Heptane()
+    %
+    % The object returned by this method implements an accurate equation of
+    % state for n-heptane that can be used in the liquid, vapor, saturated
+    % liquid/vapor, and supercritical regions of the phase diagram. The
+    % equation of state is taken from
+    %
+    % Reynolds, W. C. *Thermodynamic Properties in SI: graphs, tables, and
+    % computational equations for forty substances.* Stanford: Stanford
+    % University, 1979. Print.
+    %
+    % For more details, see classes Cantera::PureFluid and tpx::Heptane in the
+    % Cantera C++ source code documentation.
+    %
+    % :return:
+    %     Instance of class :mat:class:`Solution`.
+
+    h = Solution('liquidvapor.yaml', 'heptane');
+end

interfaces/matlab_experimental/Base/Hydrogen.m

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+function h = Hydrogen()
+    % Return an object representing hydrogen. ::
+    %
+    %     >> h = Hydrogen()
+    %
+    % The object returned by this method implements an accurate equation of
+    % state for hydrogen that can be used in the liquid, vapor, saturated
+    % liquid/vapor, and supercritical regions of the phase diagram. The
+    % equation of state is taken from
+    %
+    % Reynolds, W. C. *Thermodynamic Properties in SI: graphs, tables, and
+    % computational equations for forty substances* Stanford: Stanford
+    % University, 1979. Print.
+    %
+    % For more details, see classes Cantera::PureFluid and tpx::hydrogen in the
+    % Cantera C++ source code documentation.
+    %
+    % :return:
+    %     Instance of class :mat:class:`Solution`.
+
+    h = Solution('liquidvapor.yaml', 'hydrogen');
+end

interfaces/matlab_experimental/Base/Interface.m

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+classdef Interface < handle & ThermoPhase & Kinetics
+    % Interface Class ::
+    %
+    %     >> s = Interface(src, id, p1, p2, p3, p4)
+    %
+    % See `ideal-surface <https://cantera.org/documentation/docs-2.6/sphinx/html/yaml/phases.html#sec-yaml-ideal-surface>`__
+    % and `Declaring adjacent phases <https://cantera.org/tutorials/yaml/phases.html#declaring-adjacent-phases>`__.
+    %
+    % :param varargin:
+    %     Variable number of inputs consisting of the following:
+    %       - src: YAML file containing the interface or edge phase.
+    %       - id: Name of the interface or edge phase in the YAML file.
+    %     Optional:
+    %       - p1: 1st adjacent phase to the interface.
+    %       - p2: 2nd adjacent phase to the interface.
+    %       - p3: 3rd adjacent phase to the interface.
+    %       - p4: 4th adjacent phase to the interface.
+    % :return:
+    %     Instance of class :mat:class:`Interface`.
+
+    properties (SetAccess = immutable)
+        phaseID % ID of the interface.
+        interfaceName % Name of the interface.
+    end
+
+    properties (SetAccess = public)
+
+        % Surface coverages of the species on an interface.
+        % Unit: kmol/m^2 for surface phases, kmol/m for edge phases.
+        siteDensity
+
+    end
+
+    properties (SetAccess = protected)
+        concentrations % Concentrations of the species on an interface.
+        nAdjacent % Number of adjacent phases.
+    end
+
+    methods
+        %% Interface Class Constructor
+
+        function s = Interface(varargin)
+            % Create an :mat:class:`Interface` object.
+
+            ctIsLoaded;
+
+            src = varargin{1};
+            name = varargin{2};
+            na = nargin - 2;
+
+            % Get ID of adjacent phases
+            adj = [];
+            for i = 3:nargin
+                adj(i-2) = varargin{i}.phaseID;
+            end
+
+            ID = ctFunc('soln_newInterface', src, name, na, adj);
+
+            % Inherit methods and properties from ThermoPhase and Kinetics
+            s@ThermoPhase('clib', ID);
+            s@Kinetics('clib', ID);
+            s.phaseID = ID;
+            s.interfaceName = name;
+            s.nAdjacent = ctFunc('soln_nAdjacent', ID);
+        end
+
+        %% Interface Class Destructor
+
+        function delete(s)
+            % Delete :mat:class:`Interface` object.
+            disp('Interface class object has been deleted');
+        end
+
+        %% Interface Get Methods
+
+        function phase = adjacent(s, n)
+            % Get the nth adjacent phase of an interface.
+            phase = ctFunc('soln_adjacent', s, n);
+        end
+
+        function c = coverages(s)
+            % Surface coverages of the species on an interface.
+
+            surfID = s.tpID;
+            nsp = s.nSpecies;
+            xx = zeros(1, nsp);
+            pt = libpointer('doublePtr', xx);
+            ctFunc('surf_getCoverages', surfID, pt);
+            c = pt.Value;
+        end
+
+        function d = get.siteDensity(s)
+            surfID = s.tpID;
+            d = ctFunc('surf_siteDensity', surfID);
+        end
+
+        function c = get.concentrations(s)
+            surfID = s.tr_id;
+            nsp = s.nSpecies;
+            xx = zeros(1, nsp);
+            pt = libpointer('doublePtr', xx);
+            ctFunc('surf_getConcentrations', surfID, xx);
+            c = pt.Value;
+        end
+
+        function setCoverages(s, cov, norm)
+            % Set surface coverages of the species on an interface.
+            %
+            % s.setCoverages(cov, norm)
+            %
+            % :param s:
+            %      Instance of class :mat:class:`Interface`
+            % :param cov:
+            %      Coverage of the species. ``cov`` can be either a vector of
+            %      length ``n_surf_species``, or a string in the format
+            %      ``'Species:Coverage, Species:Coverage'``
+            % :param norm:
+            %      Optional flag that denotes whether or not to normalize the species
+            %      coverages. ``norm`` is either of the two strings ``'nonorm'``` or
+            %      ``'norm'``. If left unset, the default is `norm`. This only works if
+            %      ``s`` is a vector, not a string. Since unnormalized coverages can lead to
+            %      unphysical results, ``'nonorm'`` should be used only in rare cases, such
+            %      as computing partial derivatives with respect to a species coverage.
+
+            if nargin == 3 && strcmp(norm, 'nonorm')
+                norm_flag = 0;
+            else
+                norm_flag = 1;
+            end
+
+            surfID = s.tpID;
+            nsp = s.nSpecies;
+            [m, n] = size(cov);
+
+            if isa(cov, 'double')
+                sz = length(cov);
+
+                if sz ~= nsp
+                    error('wrong size for coverage array');
+                end
+
+                if ((m == nsp && n == 1) || (m == 1 & n == nsp))
+                    ctFunc('surf_setCoverages', surfID, cov, norm_flag);
+                else error('wrong size for coverage array');
+                end
+
+            elseif isa(cov, 'char')
+                ctFunc('surf_setCoveragesByName', surfID, cov);
+            end
+
+        end
+
+        function set.siteDensity(s, d)
+            % Set the site density of a phase on an interface.
+            %
+            % s.siteDensity = d
+            %
+            % :param s:
+            %      Instance of class :mat:class:`Interface`
+            % :param d
+            %    Double site density. Unit: kmol/m^2 for surface phases,
+            %    kmol/m for edge phases.
+
+            surfID = s.tpID;
+            ctFunc('surf_setSiteDensity', surfID, d);
+        end
+
+    end
+
+end