refs #4201 Trivial merge has been performed

Merge branch 'master' of https://github.com/mantidproject/mantid

Conflicts:
	Code/Mantid/Framework/MDAlgorithms/src/ConvertToMDEvents.cpp

Code/Mantid/Build/CMake/CommonSetup.cmake

@@ -186,6 +186,18 @@ else()
   message (STATUS "Could NOT find PyUnitTest - unit testing of python not available" )
 endif()
 
+# GUI testing via Squish
+find_package ( Squish )
+if ( SQUISH_FOUND )
+  # CMAKE_MODULE_PATH gets polluted when ParaView is present
+  set( MANTID_CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} )
+  include( SquishAddTestSuite )
+  enable_testing()
+  message ( STATUS "Found Squish for GUI testing" )
+else()
+  message ( STATUS "Could not find Squish - GUI testing not available" )
+endif()
+
 ###########################################################################
 # Set a flag to indicate that this script has been called
 ###########################################################################

Code/Mantid/Build/CMake/SquishAddTestSuite.cmake

@@ -0,0 +1,62 @@
+##############################################################################
+#
+# This macro will add a list of test suites into the ctest mechanism. The
+# ctest name is generated from the name of the
+#
+##############################################################################
+macro( SQUISH_ADD_TEST_SUITE )
+  foreach( _test_suite_path ${ARGN} )
+    set( testSuite ${CMAKE_CURRENT_SOURCE_DIR}/${_test_suite_path} )
+    string( REGEX MATCH "/.+$" _test_suite ${_test_suite_path} )
+    string( REGEX REPLACE "/" "" _test_suite ${_test_suite} )
+    string( REGEX REPLACE "suite_" "" _test_suite ${_test_suite} )
+    set( testName ${_test_suite}SquishTests )
+    #message( STATUS "Creating Squish test ${testName}" )
+    set( resultFile "${CMAKE_BINARY_DIR}/bin/Testing/TEST-${testName}.xml" )
+    add_test(${testName}
+             ${CMAKE_COMMAND}
+             "-Dsquish_server_executable:STRING=${SQUISH_SERVER_EXECUTABLE}"
+             "-Dsquish_client_executable:STRING=${SQUISH_CLIENT_EXECUTABLE}"
+             "-Dsquish_test_suite:STRING=${testSuite}"
+             "-Dsquish_results_dir:STRING=${CMAKE_BINARY_DIR}/bin/Testing"
+             "-Dsquish_results_file:STRING=${resultFile}"
+             "-Dmantid_cmake_modules:STRING=${MANTID_CMAKE_MODULE_PATH}"
+             -P ${MANTID_CMAKE_MODULE_PATH}/SquishTestScript.cmake
+            )
+    set_tests_properties( ${testName} PROPERTIES FAIL_REGULAR_EXPRESSION
+                          "FAILED;ERROR;FATAL"
+                        )
+  endforeach( )
+endmacro( SQUISH_ADD_TEST_SUITE )
+
+##############################################################################
+#
+# This macro creates an envvars file in the test suite directory.
+#
+##############################################################################
+macro( SQUISH_SUITE_ENVVARS testSuites )
+  set( env_file "envvars" )
+  # ARGN doesn't like to be used as CMake list
+  set( pair_list "" )
+  foreach( arg ${ARGN} )
+    set( pair_list ${pair_list} ${arg} )
+  endforeach( arg )
+  list( LENGTH pair_list count )
+  math( EXPR count "${count}/2" )
+  foreach( _test_suite_path ${testSuites} )
+    set( testSuite ${CMAKE_CURRENT_SOURCE_DIR}/${_test_suite_path} )
+    set( outFile ${testSuite}/${env_file} )
+    foreach( i RANGE 0 ${count} 2 )
+      math( EXPR index1 "${i}" )
+      math( EXPR index2 "${i}+1" )
+      list( GET pair_list ${index1} key )
+      list( GET pair_list ${index2} value )
+      set( key_value_pair "${key}=${value}\n" )
+      if( ${i} EQUAL 0 )
+        file( WRITE ${outFile} ${key_value_pair} )
+      else( ${i} EQUAL 0 )
+        file( APPEND ${outFile} ${key_value_pair} )
+      endif( ${i} EQUAL 0 )
+    endforeach( i RANGE 0 ${count} 2 )
+  endforeach( _test_suite_path ${testSuites} )
+endmacro( SQUISH_SUITE_ENVVARS )

Code/Mantid/Build/CMake/SquishRunTestSuite.bat

@@ -0,0 +1,11 @@
+echo 'Starting the squish server...'
+start %1
+
+echo 'Running the test suite...'
+%2 --testsuite %3 --resultdir %4 --reportgen xmljunit,%5
+set result=%ERRORLEVEL%
+
+echo 'Stopping the squish server...'
+%1 --stop
+
+exit \b %result%

Code/Mantid/Build/CMake/SquishRunTestSuite.sh

@@ -0,0 +1,15 @@
+#!/bin/sh
+echo "Starting"
+echo "Starting the squish server...$1 --daemon"
+$1 --daemon
+
+results="xmljunit,${5}"
+
+echo "Running the test suite...$2 --testsuite $3 --resultdir $4 --reportgen ${results}"
+$2 --testsuite $3 --resultdir $4 --reportgen ${results}
+returnValue=$?
+
+echo "Stopping the squish server...$1 --stop"
+$1 --stop
+
+exit $returnValue

Code/Mantid/Build/CMake/SquishTestScript.cmake

@@ -0,0 +1,43 @@
+#
+# This script launches a GUI test suite using Squish.  You should not call
+# the script directly; instead, you should access it via the
+# SQUISH_ADD_TEST_SUITE macro.
+#
+# This script starts the Squish server, launches the test suite on the
+# client, and finally stops the squish server.  If any of these steps
+# fail (including if the tests do not pass) then a fatal error is
+# raised.
+#
+# Based on the SQUISH_ADD_TEST macro
+#
+cmake_minimum_required(VERSION 2.6 FATAL_ERROR)
+
+message(STATUS "squish_server_executable='${squish_server_executable}'")
+message(STATUS "squish_client_executable='${squish_client_executable}'")
+message(STATUS "squish_test_suite='${squish_test_suite}'")
+message(STATUS "squish_results_dir='${squish_results_dir}'")
+message(STATUS "squish_results_file='${squish_results_file}'")
+
+# run the test
+if (WIN32)
+  execute_process(
+    COMMAND ${mantid_cmake_modules}/SquishRunTestSuite.bat ${squish_server_executable} ${squish_client_executable} ${squish_test_suite} ${squish_results_dir} ${squish_results_file}
+    RESULT_VARIABLE test_rv
+    )
+endif (WIN32)
+
+if (UNIX)
+  execute_process(
+    COMMAND  ${mantid_cmake_modules}/SquishRunTestSuite.sh ${squish_server_executable} ${squish_client_executable} ${squish_test_suite} ${squish_results_dir} ${squish_results_file}
+    RESULT_VARIABLE test_rv
+    )
+endif (UNIX)
+
+# check for an error with running the test
+if(NOT "${test_rv}" STREQUAL "0")
+  message(FATAL_ERROR "Error running Squish test")
+endif(NOT "${test_rv}" STREQUAL "0")
+
+file(READ ${squish_results_file} error_log)
+message(STATUS ${error_log})
+

Code/Mantid/Framework/API/CMakeLists.txt

@@ -27,6 +27,7 @@ set ( SRC_FILES
 	src/FileFinder.cpp
 	src/FileProperty.cpp
 	src/FrameworkManager.cpp
+	src/FunctionDomain.cpp
 	src/FunctionFactory.cpp
 	src/IDataFileChecker.cpp
 	src/IEventList.cpp

Code/Mantid/Framework/API/inc/MantidAPI/FunctionDomain.h

@@ -7,11 +7,13 @@
 #include "MantidAPI/DllConfig.h"
 #include "MantidKernel/Exception.h"
 
+#include <vector>
+
 namespace Mantid
 {
 namespace API
 {
-/** Abstract class that represents the domain of a function.
+/** Base class that represents the domain of a function.
     A domain is a generalisation of x (argument) and y (value) arrays.
     A domain consists at least of a list of function arguments for which a function should 
     be evaluated and a buffer for the calculated values. If used in fitting also contains
@@ -43,14 +45,31 @@ namespace API
 class MANTID_API_DLL FunctionDomain
 {
 public:
+  /// Constructor.
+  FunctionDomain(size_t n);
+  /// Virtual destructor
+  virtual ~FunctionDomain(){}
   /// Return the number of points, values, etc in the domain
-  virtual size_t size() const = 0;
+  virtual size_t size() const {return m_calculated.size();}
   /// store i-th calculated value. 0 <= i < size()
-  virtual void setCalculated(size_t i,double value) = 0;
+  virtual void setCalculated(size_t i,double value) {m_calculated[i] = value;}
   /// get i-th calculated value. 0 <= i < size()
-  virtual double getCalculated(size_t i) const = 0;
-  /// Virtual destructor
-  virtual ~FunctionDomain(){}
+  virtual double getCalculated(size_t i) const {return m_calculated[i];}
+  /// set a fitting data value
+  virtual void setFitData(size_t i,double value);
+  virtual void setFitData(const std::vector<double>& values);
+  /// get a fitting data value
+  virtual double getFitData(size_t i) const;
+  /// set a fitting weight
+  virtual void setFitWeight(size_t i,double value);
+  virtual void setFitWeights(const std::vector<double>& values);
+  /// get a fitting weight
+  virtual double getFitWeight(size_t i) const;
+protected:
+  void setDataSize();
+  std::vector<double> m_calculated; ///< buffer for calculated values
+  std::vector<double> m_data;    ///< buffer for fit data
+  std::vector<double> m_weights; ///< buffer for fitting weights (reciprocal errors)
 };
 
 } // namespace API

Code/Mantid/Framework/API/inc/MantidAPI/IFitFunction.h

@@ -133,6 +133,8 @@ class MANTID_API_DLL IFitFunction: public virtual IFunction
     setWorkspace(ws,copyData);
     setSlicing(slicing);
   }
+  /// Get the workspace
+  virtual boost::shared_ptr<const API::Workspace> getWorkspace()const = 0;
   virtual void setWorkspace(boost::shared_ptr<const Workspace> ws,bool copyData) = 0;
   virtual void setSlicing(const std::string& slicing) = 0;
 

Code/Mantid/Framework/API/inc/MantidAPI/IFunction.h

@@ -231,7 +231,7 @@ class MANTID_API_DLL IFunction
   /// @param ws :: Shared pointer to a workspace
   virtual void setWorkspace(boost::shared_ptr<const Workspace> ws) = 0;
   /// Get the workspace
-  virtual boost::shared_ptr<const API::Workspace> getWorkspace()const = 0;
+  //virtual boost::shared_ptr<const API::Workspace> getWorkspace()const = 0;
   /// Iinialize the function
   virtual void initialize(){this->init();}
 

Code/Mantid/Framework/API/inc/MantidAPI/ITableWorkspace.h

@@ -182,6 +182,15 @@ class ITableWorkspace_DllExport ITableWorkspace: public API::Workspace
     return getRow(rowCount()-1);
   }
 
+  /** Does this type of TableWorkspace need a custom sorting call (e.g. PeaksWorkspace)
+   * @return true if the workspace needs custom sorting calls */
+  virtual bool customSort() const
+  { return false; }
+
+  /// Overridable method to custom-sort the workspace
+  virtual void sort(std::vector< std::pair<std::string, bool> > & criteria);
+
+
   /// Access the column with name \c name trough a ColumnVector object
   TableColumnHelper getVector(const std::string& name)
   {

Code/Mantid/Framework/API/inc/MantidAPI/TempFunction.h

@@ -6,7 +6,7 @@
 //----------------------------------------------------------------------
 #include "MantidAPI/DllConfig.h"
 #include "MantidAPI/IFunction.h"
-#include "MantidAPI/IFitFunction.h"
+#include "MantidAPI/IFunctionMW.h"
 #include "MantidKernel/Exception.h"
 
 #ifdef _WIN32
@@ -17,7 +17,7 @@ namespace Mantid
 {
 namespace API
 {
-/** This is a temporari helper class to aid transition from IFitFunction to IFunction.
+/** This is a temporary helper class to aid transition from IFitFunction to IFunction.
 
     @author Roman Tolchenov, Tessella Support Services plc
     @date 17/11/2011
@@ -46,15 +46,15 @@ class MANTID_API_DLL TempFunction: public virtual IFunction
 {
 public:
   /// Constructor
-  TempFunction(IFitFunction* function);
+  TempFunction(IFunctionMW* function);
 
   /// Returns the function's name
   virtual std::string name()const {return m_function->name();}
   /// Set the workspace. Make 
   /// @param ws :: Shared pointer to a workspace
   virtual void setWorkspace(boost::shared_ptr<const Workspace> ws) { UNUSED_ARG(ws) }
   /// Get the workspace
-  virtual boost::shared_ptr<const API::Workspace> getWorkspace()const {return m_function->getWorkspace();}
+  //virtual boost::shared_ptr<const API::Workspace> getWorkspace()const {return m_function->getWorkspace();}
 
   /// The categories the Fit function belong to.
   /// Categories must be listed as a comma separated list.
@@ -63,12 +63,8 @@ class MANTID_API_DLL TempFunction: public virtual IFunction
   /// "Muon\\Custom" 
   virtual const std::string category() const { return m_function->category();}
 
-  /// Function you want to fit to. 
-  /// @param out :: The buffer for writing the calculated values. Must be big enough to accept dataSize() values
-  virtual void function(FunctionDomain& domain)const {
-    UNUSED_ARG(domain)
-    throw Kernel::Exception::NotImplementedError("TempFunction not implemented.");
-  }
+  virtual void function(FunctionDomain& domain)const;
+  virtual void functionDeriv(FunctionDomain& domain, Jacobian& jacobian);
 
   /// Set i-th parameter
   virtual void setParameter(size_t i, const double& value, bool explicitlySet = true) {m_function->setParameter(i,value,explicitlySet);}
@@ -151,7 +147,23 @@ class MANTID_API_DLL TempFunction: public virtual IFunction
   virtual void addTie(ParameterTie* tie) {m_function->addTie(tie);}
 
   /// Pointer to underlying IFitFunction
-  IFitFunction* m_function;
+  IFunctionMW* m_function;
+};
+
+/**
+ * The domain for 1D functions.
+ */
+class MANTID_API_DLL FunctionDomain1D: public FunctionDomain
+{
+public:
+  FunctionDomain1D(double start, double end, size_t n);
+  FunctionDomain1D(const std::vector<double>& xvalues);
+  /// get an x value
+  /// @param i :: Index
+  double getX(size_t i) const {return m_X.at(i);}
+protected:
+  std::vector<double> m_X; ///< vector of function arguments
+  friend class TempFunction;
 };
 
 

Code/Mantid/Framework/API/inc/MantidAPI/WorkspaceProperty.h

@@ -232,8 +232,6 @@ namespace Mantid
             else
             {
               error = "Workspace " + this->value() + " is not of the correct type";
-              g_log.debug() << "Problem validating workspace: " << error << ".  \""
-                  << m_workspaceName << "\" is not of type " << Kernel::PropertyWithValue< boost::shared_ptr<TYPE> >::type() << std::endl;
             }
             return error;
           }
@@ -391,8 +389,6 @@ namespace Mantid
           if( m_optional ) return "";
           //Return a user level error
           error = "Enter a name for the Output workspace";
-          //the debug message has more detail to put it in context
-          g_log.debug() << "Problem validating workspace: " << error << std::endl;
           return error;
         }
       }
@@ -420,8 +416,7 @@ namespace Mantid
         {
           error = "Workspace \"" + this->value() + "\" was not found in the Analysis Data Service";
         }
-        if( !error.empty() )
-          g_log.debug() << "Problem validating workspace: " << error << "." << std::endl;
+
         return error;
       }