Merge 95921de into ba4eb70

docs/source/contributors/extending_fitbenchmarking.rst

@@ -72,12 +72,12 @@ that the fitting software can use, and converting the result back to a
 standardised format (numpy arrays). As well as this, the controller must be
 written so that the fitting is separated from the preparation wherever possible
 in order to give accurate timings for the fitting. Examples of these
-controllers can be found in ``fitbenchmarking/fitting/software_controllers``.
+controllers can be found in ``fitbenchmarking/fitting/controllers``.
 
 In order to add a new controller, you will need to:
 
 1. Create a new subclass of BaseSoftwareController in
-   ``fitbenchmarking/fitting/software_controllers``.
+   ``fitbenchmarking/fitting/controllers``.
    This should implement 4 functions:
 
    -  ``__init__()``: Initialise anything that is needed specifically for the
@@ -93,12 +93,16 @@ In order to add a new controller, you will need to:
       (``self.results``, ``self.final_params``, ``self.success``)
 
 2. Import your controller and add it to the dictionary 'controllers' in
-   ``fitbenchmarking/fitbenchmark_one_problem.py``
+   ``fitbenchmarking/fitbenchmark_one_problem.py``.
+   For ease of maintainance, please add new controllers in alphabetical order.
 
 3. Document the available minimizers (currently done by adding to
    ``fitbenchmarking/fitbenchmarking_default_options.json``)
 
 4. Create tests for the software in
    ``fitbenchmarking/fitting/tests/test_controllers.py``.
+   Again, for ease of maintainance, please add new controllers in alphabetical order.
    Unless the new controller is more complicated than the currently available
    controllers, this can be done by following the example of the others.
+
+

docs/source/users/options.rst

@@ -18,7 +18,7 @@ These include:
 The software to use in fitting as a string or list of strings.
 Selected softwares will be benchmarked.
 
-Available options are ``"mantid"``, ``"sasview"``, and ``"scipy"``.
+Available options are ``"mantid"``, ``"sasview"``, ``"scipy"`` and ``"dfogn"``.
 
 ``results_dir``
 ---------------
@@ -118,11 +118,19 @@ Scipy:
   - ``"dogbox"``
   - ``"lm"``
   - and ``"trf"``
+
 
   Information about these can be found on the
   `Scipy documentation
   <https://docs.scipy.org/doc/scipy/reference/generated/scipy.optimize.least_squares.html>`__
 
+DFO-GN:
+  - ``"dfogn"``
+  Information about this can be found on the
+  `DFO-GN documentation
+  <http://people.maths.ox.ac.uk/robertsl/dfogn/>`__  
+
+
 ``comparison_mode``
 -------------------
 The comparison mode is used when displaying results to select the value

fitbenchmarking/fitbenchmark_one_problem.py

@@ -10,6 +10,10 @@
 
 from fitbenchmarking.fitting import misc
 from fitbenchmarking.fitting.plotting import plot_helper, plots
+try:
+    from fitbenchmarking.fitting.controllers.dfogn_controller import DFOGNController
+except ImportError:
+    DFOGNController = None
 try:
     from fitbenchmarking.fitting.controllers.mantid_controller import MantidController
 except ImportError:
@@ -41,7 +45,8 @@ def fitbm_one_prob(user_input, problem):
 
     software = user_input.software.lower()
 
-    controllers = {'mantid': MantidController,
+    controllers = {'dfogn': DFOGNController,
+                   'mantid': MantidController,
                    'sasview': SasviewController,
                    'scipy': ScipyController}
 

fitbenchmarking/fitbenchmarking_default_options.json

@@ -7,7 +7,8 @@
                     "Simplex","SteepestDescent",
                     "Trust Region"],
         "scipy" : ["lm", "trf", "dogbox"],
-        "sasview" : ["amoeba", "lm", "newton", "de", "pt", "mp"]
+        "sasview" : ["amoeba", "lm", "newton", "de", "pt", "mp"],
+        "dfogn" : ["dfogn"]
         },
 
     "comparison_mode" : "both" 

fitbenchmarking/fitting/controllers/dfogn_controller.py

@@ -0,0 +1,64 @@
+"""
+Implements a controller for DFO-GN
+http://people.maths.ox.ac.uk/robertsl/dfogn/
+"""
+
+import dfogn
+import numpy as np
+
+from fitbenchmarking.fitting.controllers.base_controller import Controller
+
+class DFOGNController(Controller):
+    """
+    Controller for the DFO-GN fitting software.
+    """
+
+    def __init__(self, problem, use_errors):
+        """
+        Initialises variable used for temporary storage.
+        """
+        super(DFOGNController, self).__init__(problem, use_errors)
+
+        self._soln = None
+        self._popt = None
+        self._pinit = None
+
+    def setup(self):
+        """
+        Setup for DFO-GN
+        """
+        self._pinit = np.asarray(self.initial_params)
+
+    def _prediction_error(self,p):
+        f = self.data_y - self.problem.eval_f(x=self.data_x,
+                                              params=p, 
+                                              function_id=self.function_id)
+        if self.use_errors:
+            f = f/self.data_e
+
+        return f
+
+    def fit(self):
+        """
+        Run problem with DFO-GN.
+        """
+        self.success = False
+
+        self._soln = dfogn.solve(self._prediction_error,
+                                 self._pinit)
+
+        if (self._soln.flag == 0):
+            self.success = True
+
+        self._popt = self._soln.x
+
+    def cleanup(self):
+        """
+        Convert the result to a numpy array and populate the variables results
+        will be read from.
+        """
+        if self.success:
+            self.results = self.problem.eval_f(x=self.data_x,
+                                               params=self._popt,
+                                               function_id=self.function_id)
+            self.final_params = self._popt

fitbenchmarking/fitting/tests/test_controllers.py

@@ -3,6 +3,8 @@
 
 from fitbenchmarking.fitting.controllers.base_controller import \
     Controller
+from fitbenchmarking.fitting.controllers.dfogn_controller import \
+    DFOGNController
 from fitbenchmarking.fitting.controllers.mantid_controller import \
     MantidController
 from fitbenchmarking.fitting.controllers.sasview_controller import \
@@ -23,8 +25,8 @@ def misra1a_file():
     main_dir = os.path.dirname(os.path.normpath(parent_dir))
     root_dir = os.path.dirname(os.path.normpath(main_dir))
     bench_prob_dir = os.path.join(root_dir, 'benchmark_problems')
-    fname = os.path.join(bench_prob_dir, 'NIST', 'low_difficulty',
-                         'Misra1a.dat')
+    fname = os.path.join(bench_prob_dir, 'simple_tests',
+                         'cubic.dat')
 
     return fname
 
@@ -124,6 +126,14 @@ def test_scipy(self):
         controller.minimizer = 'lm'
         self.shared_testing(controller)
 
+    def test_dfogn(self):
+        """
+        DFOGNController: Tests for output shape
+        """
+        controller = DFOGNController(self.problem, True)
+        controller.minimizer = 'dfogn'
+        self.shared_testing(controller)
+
     def shared_testing(self, controller):
         """
         Utility function to run controller and check output is in generic form

setup.py

@@ -12,7 +12,8 @@
       license='GPL-3.0',
       packages=find_packages(),
       install_requires=['docutils', 'numpy<1.17', 'matplotlib<3.0',
-                        'scipy>=0.18,<1.3', 'bumps', 'sasmodels', 'lxml'],
+                        'scipy>=0.18,<1.3', 'bumps', 'sasmodels', 'lxml',
+                        'dfogn'],
       zip_safe=False,
 
       cmdclass={