[MATLAB] matlab_fix_samples2

.github/workflows/main.yml

@@ -66,10 +66,25 @@ jobs:
           echo "LD_PRELOAD=$LIB_STDCXX:$LIB_OPENBLAS:$LIB_LAPACK" >> $GITHUB_ENV
       - name: Set up MATLAB
         uses: matlab-actions/setup-matlab@718d4320188c73c86eb94ce76b553cbf89778487 # v2.5.0
+      - name: Set MATLAB search paths for tests and build MLTBX toolbox # v2.2.1
+        uses: matlab-actions/run-command@67f012f1ee4bc1627a7a95a0ccdeec745c9f6f36
+        with:
+          command: |
+            toolboxPath = fullfile(getenv('CANTERA_ROOT'));
+            libPath = fullfile(toolboxPath, 'build', 'lib');
+            includePath = fullfile(toolboxPath, 'include');
+            addpath(fullfile(toolboxPath, 'interfaces', 'matlab_experimental', 'Utility'));
+            ctPaths(libPath, includePath, toolboxPath);
       - name: Run tests
         uses: matlab-actions/run-tests@f9fc3d8ca29fadef6227fa52884b144b9011fa2f # v2.1.1
         with:
           select-by-folder: /home/runner/work/cantera/cantera/test/matlab_experimental
+      - name: Run MATLAB test_examples
+        uses: matlab-actions/run-command@67f012f1ee4bc1627a7a95a0ccdeec745c9f6f36 # v2.2.1
+        with:
+          command: |
+            addpath('/home/runner/work/cantera/cantera/samples/matlab_experimental');
+            test_examples;
 
   ubuntu-multiple-pythons:
     name: ${{ matrix.os }} with Python ${{ matrix.python-version }}, Numpy ${{ matrix.numpy || 'latest' }}, Cython ${{ matrix.cython || 'latest' }}

interfaces/matlab_experimental/Base/ThermoPhase.m

@@ -66,6 +66,8 @@
         %     Scalar double mean molecular weight. Units: kg/kmol.
         meanMolecularWeight
 
+        massDensity % Mass basis density. Units: kg/m^3.
+
         molarDensity % Molar basis density. Units: kmol/m^3.
 
         molecularWeights % Molecular weights of the species. Units: kg/kmol.
@@ -903,6 +905,10 @@ function display(tp)
             mmw = ctFunc('thermo_meanMolecularWeight', tp.tpID);
         end
 
+        function density = get.massDensity(tp)
+            density = ctFunc('thermo_density', tp.tpID);
+        end
+
         function density = get.molarDensity(tp)
             density = ctFunc('thermo_molarDensity', tp.tpID);
         end

interfaces/matlab_experimental/OneDim/Sim1D.m

@@ -54,14 +54,9 @@ function delete(s)
 
         %% Sim1D Utility Methods
 
-        function display(s, fname)
+        function display(s)
             % Show all domains.
-
-            if nargin == 1
-                fname = '-';
-            end
-
-            ctFunc('sim1D_show', s.stID, fname);
+            ctFunc('sim1D_show', s.stID);
         end
 
         function restore(s, fname, id)

interfaces/matlab_experimental/Utility/ctLoad.m

@@ -1,32 +1,39 @@
 function ctLoad()
+    % ctLoad
     % Load the Cantera C Library into Memory
 
+    paths = ctPaths();
+
+    if any(cellfun(@isempty, {paths.libPath, paths.includePath, paths.toolboxPath}))
+        error('ctLoad:MissingPath', ...
+              'Library, header, and toolbox paths must be configured with ctPaths(libPath,includePath, toolboxPath).');
+    end
+
     if ispc
-        ctName = '/bin/cantera_shared.dll';
+        libName = 'cantera_shared.dll';
     elseif ismac
-        ctName = '/Lib/libcantera_shared.dylib';
+        libName = 'libcantera_shared.dylib';
     elseif isunix
-        ctName = '/lib/libcantera_shared.so';
+        libName = 'libcantera_shared.so';
     else
-        error('Operating System Not Supported!');
-        return;
+        error('ctLoad:UnsupportedPlatform', 'Operating system not supported.');
     end
 
-    root = ctRoot;
-    if ispc
-        root = [ctRoot, '/Library'];
-    end
+    fullLibPath = fullfile(paths.libPath, libName);
+    fullHeaderPath = fullfile(paths.includePath, 'cantera', 'clib', 'ctmatlab.h');
 
     if ~libisloaded(ctLib)
-        [~, warnings] = loadlibrary([root, ctName], ...
-                                    [root, '/include/cantera/clib/ctmatlab.h'], ...
-                                    'includepath', [root, '/include'], ...
-                                    'addheader', 'ct', 'addheader', 'ctfunc', ...
-                                    'addheader', 'ctmultiphase', 'addheader', ...
-                                    'ctonedim', 'addheader', 'ctreactor', ...
-                                    'addheader', 'ctrpath', 'addheader', 'ctsurf');
+        [~, warnings] = loadlibrary(fullLibPath, fullHeaderPath, ...
+                                    'includepath', paths.includePath, ...
+                                    'addheader', 'ct', ...
+                                    'addheader', 'ctfunc', ...
+                                    'addheader', 'ctmultiphase', ...
+                                    'addheader', 'ctonedim', ...
+                                    'addheader', 'ctreactor', ...
+                                    'addheader', 'ctrpath', ...
+                                    'addheader', 'ctsurf');
     end
 
-    disp(sprintf('Cantera %s is ready for use.', ctVersion))
+    fprintf('Cantera %s is ready for use.\n', ctVersion);
 
 end

interfaces/matlab_experimental/Utility/ctPaths.m

@@ -0,0 +1,73 @@
+function paths = ctPaths(varargin)
+    % ctPaths ::
+    % Configure or retrieve the library/header/toolbox paths for Cantera.
+    % The paths are stored as MATLAB preferences.
+    %
+    %   >> ctPaths()                       % Get current config as struct
+    %   >> ctPaths(libPath, includePath)   % Set library/header/toolbox paths
+    %   >> ctPaths('clear')                % Clear saved paths
+    %
+    % :return:
+    %   paths: struct with fields 'libPath', 'includePath', and
+    %   'toolboxPath'
+
+    if nargin == 1 && strcmp(varargin{1}, 'clear')
+        if ispref('Cantera', 'Paths')
+            paths = getpref('Cantera', 'Paths');
+            subDirs = strsplit(genpath(paths.toolboxPath), pathsep);
+            currentPaths = strsplit(path, pathsep);
+            subdirsToRemove = intersect(subDirs, currentPaths);
+            if ~isempty(subdirsToRemove)
+                rmpath(subdirsToRemove{:});
+            end
+            rmpref('Cantera', 'Paths');
+        end
+        paths = struct('libPath', '', 'includePath', '', 'toolboxPath', '');
+        return
+    elseif nargin == 3 && all(cellfun(@ischar, varargin))
+        paths = struct('libPath', varargin{1}, ...
+                       'includePath', varargin{2}, ...
+                       'toolboxPath', varargin{3});
+        setpref('Cantera', 'Paths', paths);
+    else
+        % Load from saved preferences if available
+        if ispref('Cantera', 'Paths')
+            paths = getpref('Cantera', 'Paths');
+            return
+        else
+            paths = struct('libPath', '', 'includePath', '', 'toolboxPath', '');
+        end
+    end
+
+    if any(cellfun(@isempty, {paths.libPath, paths.includePath, paths.toolboxPath}))
+        error('ctPaths:MissingPath', ...
+              'Library, header, and toolbox paths must be configured with ctPaths(libPath,includePath, toolboxPath).');
+    end
+
+    mapping = {
+        'interfaces/matlab_experimental', 'toolbox';
+        'samples/matlab_experimental', 'samples';
+        'test/matlab_experimental', 'test/matlab_toolbox';
+        'test/data', 'test/data';
+        'data', 'data'
+        };
+
+    % Check whether user is using Cantera source code or MLTBX based on folder structure
+    if isfolder(fullfile(paths.toolboxPath, 'interfaces'))
+        col = 1;
+    else
+        col = 2;
+    end
+
+    for i = 1:size(mapping, 1)
+        subdir = fullfile(paths.toolboxPath, mapping{i, col});
+        if isfolder(subdir)
+            addpath(genpath(subdir));
+        else
+            warning('ctPaths:MissingDirectory', ...
+                    'Directory not found: %s', subdir);
+        end
+    end
+
+    savepath();
+end

samples/matlab_experimental/conhp.m

@@ -6,14 +6,14 @@
     % It assumes that the ``gas`` object represents a reacting ideal gas mixture.
 
     % Set the state of the gas, based on the current solution vector.
+    gas.basis = 'mass';
     gas.Y = y(2:end);
     gas.TP = {y(1), gas.P};
     nsp = gas.nSpecies;
 
     % energy equation
     wdot = gas.netProdRates;
     H = gas.partialMolarEnthalpies';
-    gas.basis = 'mass';
     tdot =- 1 / (gas.D * gas.cp) .* wdot * H;
 
     % set up column vector for dydt

samples/matlab_experimental/conuv.m

@@ -6,14 +6,14 @@
     % It assumes that the ``gas`` object represents a reacting ideal gas mixture.
 
     % Set the state of the gas, based on the current solution vector.
+    gas.basis = 'mass';
     gas.Y = y(2:end);
     gas.TD = {y(1), gas.D};
     nsp = gas.nSpecies;
 
     % energy equation
     wdot = gas.netProdRates;
     U = gas.partialMolarIntEnergies';
-    gas.basis = 'mass';
     tdot =- 1 / (gas.D * gas.cv) .* wdot * U;
 
     % set up column vector for dydt

samples/matlab_experimental/crit_properites.m

@@ -0,0 +1,61 @@
+%% Critical state properties
+% Print the critical state properties for the fluids for which Cantera has
+% built-in liquid/vapor equations of state.
+%
+% .. tags:: Matlab, thermodynamics, multiphase, non-ideal fluid
+
+clear all;
+close all;
+
+tic
+help crit_properites
+
+%% Create a pure fluid object
+fluids = struct('water', Water(), ...
+    'nitrogen', Nitrogen(), ...
+    'methane', Methane(), ...
+    'hydrogen', Hydrogen(), ...
+    'oxygen', Oxygen(), ...
+    'carbon_dioxide', CarbonDioxide(), ...
+    'heptane', Heptane(), ...
+    'HFC_134a', HFC134a());
+
+names = fieldnames(fluids);
+
+%% Plot critical properties and print tabulated values
+
+figure;
+hold on;
+title('Critical Properties of Pure Fluids');
+xlabel('Critical Temperature [K]');
+ylabel('Critical Pressure [Pa]');
+xlim([0 750]);
+grid on;
+
+% Print header
+fprintf('Critical State Properties\n');
+fprintf('%-16s   %-7s   %-10s   %-7s\n', 'Fluid', 'Tc [K]', 'Pc [Pa]', 'Zc');
+fprintf('%s   %s   %s   %s\n', repmat('-',1,16), repmat('-',1,7), repmat('-',1,10), repmat('-',1,7));
+
+%% Loop through fluids
+for i = 1:length(names)
+    name = names{i};
+    f = fluids.(name);
+
+    Tc = f.critTemperature;
+    Pc = f.critPressure;
+    rhoc = f.critDensity;
+    mw = f.meanMolecularWeight;
+    R = GasConstant;
+
+    Zc = Pc * mw / (rhoc * R * Tc);
+
+    % Plot
+    plot(Tc, Pc, 'o');
+    text(Tc + 4, Pc + 2e5, strrep(name, '_', ' '), 'FontSize', 9);
+
+    % Print table row
+    fprintf('%-16s   %7.2f   %10.4g   %7.4f\n', strrep(name, '_', ' '), Tc, Pc, Zc);
+end
+
+toc

samples/matlab_experimental/diamond_cvd.m

@@ -69,7 +69,7 @@
     r = surf_phase.netProdRates;
     carbon_dot = r(iC);
     mdot = mw * carbon_dot;
-    rate = mdot / dbulk.D;
+    rate = mdot / dbulk.massDensity;
     xx = [xx; x(ih)];
     rr = [rr; rate * 1.0e6 * 3600.0];
     cov = [cov; surf_phase.coverages];

samples/matlab_experimental/diff_flame.m

@@ -104,7 +104,7 @@
 % ``help setRefineCriteria``.
 
 f.energyEnabled = true;
-fl.setRefineCriteria(2, 200.0, 0.1, 0.2);
+fl.setRefineCriteria(2, 4, 0.2, 0.3, 0.04);
 fl.solve(loglevel, refine_grid);
 
 %% Show statistics of solution and elapsed time