Added batch information to ThreadInfo

.cproject

@@ -2,7 +2,7 @@
 <?fileVersion 4.0.0?><cproject storage_type_id="org.eclipse.cdt.core.XmlProjectDescriptionStorage">
 	<storageModule moduleId="org.eclipse.cdt.core.settings">
 		<cconfiguration id="cdt.managedbuild.toolchain.gnu.macosx.base.45089428">
-			<storageModule buildSystemId="org.eclipse.cdt.managedbuilder.core.configurationDataProvider" id="cdt.managedbuild.toolchain.gnu.macosx.base.45089428" moduleId="org.eclipse.cdt.core.settings" name="Default">
+			<storageModule buildSystemId="org.eclipse.cdt.managedbuilder.core.configurationDataProvider" id="cdt.managedbuild.toolchain.gnu.macosx.base.45089428" moduleId="org.eclipse.cdt.core.settings" name="Release">
 				<externalSettings>
 					<externalSetting/>
 				</externalSettings>
@@ -16,7 +16,7 @@
 				</extensions>
 			</storageModule>
 			<storageModule moduleId="cdtBuildSystem" version="4.0.0">
-				<configuration artifactName="BornAgain" buildProperties="" description="" id="cdt.managedbuild.toolchain.gnu.macosx.base.45089428" name="Default" parent="org.eclipse.cdt.build.core.emptycfg">
+				<configuration artifactName="BornAgain" buildProperties="" description="Config for release build" id="cdt.managedbuild.toolchain.gnu.macosx.base.45089428" name="Release" parent="org.eclipse.cdt.build.core.emptycfg">
 					<folderInfo id="cdt.managedbuild.toolchain.gnu.macosx.base.45089428.834509647" name="/" resourcePath="">
 						<toolChain id="cdt.managedbuild.toolchain.gnu.macosx.base.329208693" name="cdt.managedbuild.toolchain.gnu.macosx.base" superClass="cdt.managedbuild.toolchain.gnu.macosx.base">
 							<targetPlatform archList="all" binaryParser="org.eclipse.cdt.core.MachO64" id="cdt.managedbuild.target.gnu.platform.macosx.base.35496915" name="Debug Platform" osList="macosx" superClass="cdt.managedbuild.target.gnu.platform.macosx.base"/>
@@ -68,6 +68,9 @@
 		</cconfiguration>
 		<cconfiguration id="cdt.managedbuild.toolchain.gnu.macosx.base.45089428.1343516600">
 			<storageModule buildSystemId="org.eclipse.cdt.managedbuilder.core.configurationDataProvider" id="cdt.managedbuild.toolchain.gnu.macosx.base.45089428.1343516600" moduleId="org.eclipse.cdt.core.settings" name="Debug">
+				<macros>
+					<stringMacro name="BORNAGAIN_DEBUG" type="VALUE_TEXT" value="yes"/>
+				</macros>
 				<externalSettings>
 					<externalSetting>
 						<entry flags="RESOLVED" kind="macro" name="BornAgain_DEBUG" value="yes"/>
@@ -87,7 +90,7 @@
 					<folderInfo id="cdt.managedbuild.toolchain.gnu.macosx.base.45089428.1343516600." name="/" resourcePath="">
 						<toolChain id="cdt.managedbuild.toolchain.gnu.macosx.base.443634681" name="cdt.managedbuild.toolchain.gnu.macosx.base" superClass="cdt.managedbuild.toolchain.gnu.macosx.base">
 							<targetPlatform archList="all" binaryParser="org.eclipse.cdt.core.MachO64" id="cdt.managedbuild.target.gnu.platform.macosx.base.966869129" name="Debug Platform" osList="macosx" superClass="cdt.managedbuild.target.gnu.platform.macosx.base"/>
-							<builder buildPath="${workspace_loc:/BornAgain}" cleanBuildTarget="distclean" id="cdt.managedbuild.target.gnu.builder.macosx.base.957115956" incrementalBuildTarget="" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="false" superClass="cdt.managedbuild.target.gnu.builder.macosx.base">
+							<builder arguments="-j3" buildPath="${workspace_loc:/BornAgain}" cleanBuildTarget="distclean" command="make" id="cdt.managedbuild.target.gnu.builder.macosx.base.957115956" incrementalBuildTarget="" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="true" parallelizationNumber="optimal" superClass="cdt.managedbuild.target.gnu.builder.macosx.base">
 								<outputEntries>
 									<entry flags="VALUE_WORKSPACE_PATH|RESOLVED" kind="outputPath" name=""/>
 								</outputEntries>

App/src/TestIsGISAXS2.cpp

@@ -33,7 +33,7 @@ void TestIsGISAXS2::execute()
     SampleBuilderFactory factory;
     ISample *sample = factory.createSample("isgisaxs02");
 
-    Simulation simulation;
+    Simulation simulation(mp_options);
     simulation.setDetectorParameters(100, 0.0*Units::degree, 2.0*Units::degree, 100, 0.0*Units::degree, 2.0*Units::degree, true);
     simulation.setBeamParameters(1.0*Units::angstrom, 0.2*Units::degree, 0.0*Units::degree);
     simulation.setSample(*sample);

App/src/TestIsGISAXS3.cpp

@@ -44,7 +44,7 @@ void TestIsGISAXS3::execute()
     SampleBuilderFactory factory;
 
     // building simulation
-    Simulation simulation;
+    Simulation simulation(mp_options);
     simulation.setDetectorParameters(100, 0.0*Units::degree, 2.0*Units::degree,
                                      100, 0.0*Units::degree, 2.0*Units::degree, true);
     simulation.setBeamParameters(1.0*Units::angstrom, 0.2*Units::degree, 0.0*Units::degree);

App/src/TestIsGISAXS9.cpp

@@ -38,7 +38,7 @@ void TestIsGISAXS9::execute()
 //    test.runpyramidZ45();
 //    OutputDataIOFactory::writeOutputData(*test.getOutputData(FunctionalTests::IsGISAXS09::kTest_Z45), getOutputPath()+"this_pyramid_Z45.ima");
 
-    Simulation simulation;
+    Simulation simulation(mp_options);
     simulation.setDetectorParameters(
         100, 0.0*Units::degree, 2.0*Units::degree,
         100, 0.0*Units::degree, 2.0*Units::degree, true);

Core/Algorithms/inc/DWBASimulation.h

@@ -57,16 +57,20 @@ class DWBASimulation : public ISimulation
         const_iterator;
 
     //! Returns read/write iterator that points to the first element
-    iterator begin();
+    //! The iterator takes the member ThreadInfo object into consideration.
+    iterator begin() { return m_dwba_intensity.begin(m_thread_info); }
 
     //! Returns read-only iterator that points to the first element
-    const_iterator begin() const;
+    //! The iterator takes the member ThreadInfo object into consideration.
+    const_iterator begin() const  { return m_dwba_intensity.begin(m_thread_info); }
 
     //! Returns  read/write iterator that points to the one past last element
-    const iterator end() { return m_dwba_intensity.end(); }
+    //! The iterator takes the member ThreadInfo object into consideration.
+    const iterator end() { return m_dwba_intensity.end(m_thread_info); }
 
     //! Returns  read-only iterator that points to the one past last element
-    const const_iterator end() const { return m_dwba_intensity.end(); }
+    //! The iterator takes the member ThreadInfo object into consideration.
+    const const_iterator end() const { return m_dwba_intensity.end(m_thread_info); }
 
  protected:
     OutputData<double> m_dwba_intensity;

Core/Algorithms/inc/ThreadInfo.h

@@ -16,15 +16,92 @@
 #ifndef THREADINFO_H_
 #define THREADINFO_H_
 
+#include "Exceptions.h"
+
 //! Information for threads
 
 struct ThreadInfo
 {
-    ThreadInfo() : n_threads(1), i_thread(0) {}
-    size_t n_threads;
-    size_t i_thread;
+    ThreadInfo();
+    int n_threads;
+    int current_thread;
+    int n_batches;
+    int current_batch;
+    //! Impose consistency of members
+    void imposeConsistency();
+
+    //! Get the start index to use for this batch and thread when the total
+    //! size of the data is _total_size_
+    int getBeginIndex(int total_size);
+
+    //! Get the end index to use for this batch and thread when the total
+    //! size of the data is _total_size_
+    int getEndIndex(int total_size);
 };
 
-#endif /* THREADINFO_H_ */
+inline ThreadInfo::ThreadInfo()
+: n_threads(1)
+, current_thread(0)
+, n_batches(1)
+, current_batch(0)
+{
+}
 
+inline void ThreadInfo::imposeConsistency()
+{
+    if (n_batches<2) {
+        n_batches = 1;
+        current_batch = 0;
+    }
+    if (n_threads<2) {
+        n_threads = 1;
+        current_thread = 0;
+    }
+    if (current_batch>=n_batches) {
+        throw ClassInitializationException("Batch number must be smaller than "
+                "number of batches.");
+    }
+    if (current_thread>=n_threads) {
+        throw ClassInitializationException("Thread number must be smaller than "
+                "number of threads.");
+    }
+}
 
+inline int ThreadInfo::getBeginIndex(int total_size)
+{
+    int size_per_batch = total_size/n_batches;
+    if (total_size%n_batches) ++size_per_batch;
+    int size_of_this_batch =
+            current_batch==n_batches-1
+            ? total_size - (n_batches-1)*size_per_batch
+            : size_per_batch;
+    if (size_of_this_batch<=0) return total_size;
+    int size_per_thread = size_of_this_batch/n_threads;
+    if (size_of_this_batch%n_threads) ++size_per_thread;
+    if (current_thread*size_per_thread>=size_of_this_batch) return total_size;
+    return current_batch*size_per_batch + current_thread*size_per_thread;
+}
+
+inline int ThreadInfo::getEndIndex(int total_size)
+{
+    int size_per_batch = total_size/n_batches;
+    if (total_size%n_batches) ++size_per_batch;
+    int size_of_this_batch =
+            current_batch==n_batches-1
+            ? total_size - (n_batches-1)*size_per_batch
+            : size_per_batch;
+    if (size_of_this_batch<=0) return total_size;
+    int size_per_thread = size_of_this_batch/n_threads;
+    if (size_of_this_batch%n_threads) ++size_per_thread;
+    if (current_thread*size_per_thread>=size_of_this_batch) return total_size;
+    int end_of_thread_in_batch =
+            current_thread==n_threads-1
+            ? size_of_this_batch
+            : (current_thread+1)*size_per_thread;
+    if (end_of_thread_in_batch>size_of_this_batch) {
+        end_of_thread_in_batch = size_of_this_batch;
+    }
+    return current_batch*size_per_batch + end_of_thread_in_batch;
+}
+
+#endif /* THREADINFO_H_ */

Core/Algorithms/src/DWBASimulation.cpp

@@ -50,37 +50,6 @@ DWBASimulation *DWBASimulation::clone() const
     return p_result;
 }
 
-DWBASimulation::iterator DWBASimulation::begin()
-{
-    if (m_thread_info.n_threads<2) {
-        m_thread_info.n_threads = 1;
-        m_thread_info.i_thread = 0;
-    }
-    iterator result(m_dwba_intensity.begin());
-    if (m_thread_info.n_threads>1) {
-        MaskIndexModulus thread_mask(
-            m_thread_info.n_threads, m_thread_info.i_thread);
-        result.addMask(thread_mask);
-    }
-    return result;
-}
-
-DWBASimulation::const_iterator DWBASimulation::begin() const
-{
-    size_t n_threads = m_thread_info.n_threads;
-    size_t i_thread = m_thread_info.i_thread;
-    if (m_thread_info.n_threads<2) {
-        n_threads = 1;
-        i_thread = 0;
-    }
-    const_iterator result(m_dwba_intensity.begin());
-    if (n_threads>1) {
-        MaskIndexModulus thread_mask(n_threads, i_thread);
-        result.addMask(thread_mask);
-    }
-    return result;
-}
-
 double DWBASimulation::getWaveLength() const
 {
     kvector_t real_ki(m_ki.x().real(), m_ki.y().real(), m_ki.z().real());

Core/Algorithms/src/MultiLayerDWBASimulation.cpp

@@ -80,7 +80,7 @@ void MultiLayerDWBASimulation::setThreadInfo(const ThreadInfo& thread_info)
 void MultiLayerDWBASimulation::run()
 {
     msglog(MSG::DEBUG) << "MultiLayerDWBASimulation::run() -> Running thread "
-                       << m_thread_info.i_thread;
+                       << m_thread_info.current_thread;
     SpecularMatrix specularCalculator;
 
     kvector_t m_ki_real(m_ki.x().real(), m_ki.y().real(), m_ki.z().real());

Core/Algorithms/src/Simulation.cpp

@@ -110,52 +110,57 @@ void Simulation::runSimulation()
             "Simulation::runSimulation() -> Error! No sample set.");
     m_intensity_map.setAllTo(0.);
 
-    // retrieve threading information
-    int n_threads_total=0;
-    if (mp_options)
-        n_threads_total = (*mp_options)["threads"].as<int>();
-    msglog(MSG::DEBUG) << "Simulation::runSimulation(): n_threads=" <<
-                          n_threads_total << ", sample: " << *mp_sample;
-    // TODO: --threads=1 is ignored
-//    n_threads_total = -1;
-//    msglog(MSG::WARNING) << "TEMPORARILY SET n_threads_total = " << n_threads_total;
-
-    if(n_threads_total<0) {
+    ThreadInfo thread_info;
+    // retrieve batch and threading information
+    if (mp_options) {
+        thread_info.n_batches = (*mp_options)["nbatches"].as<int>();
+        thread_info.current_batch = (*mp_options)["batch"].as<int>();
+        thread_info.n_threads = (*mp_options)["threads"].as<int>();
+//    }
+
+//    msglog(MSG::DEBUG) << "Simulation::runSimulation(): n_batches = " <<
+    std::cout << "Simulation::runSimulation(): n_batches = " <<
+            thread_info.n_batches << ", current batch = " <<
+            thread_info.current_batch << ", n_threads = " <<
+            thread_info.n_threads << std::endl;
+            //", sample: " << *mp_sample;
+    }
+    if (thread_info.n_threads<0) thread_info.n_threads = 1;
+    if(thread_info.n_threads==1) {
         // Single thread.
         DWBASimulation *p_dwba_simulation = mp_sample->createDWBASimulation();
         if (!p_dwba_simulation)
             throw NullPointerException(
                 "Simulation::runSimulation() -> No dwba simulation");
         p_dwba_simulation->init(*this);
+        p_dwba_simulation->setThreadInfo(thread_info);
         p_dwba_simulation->run();  // the work is done here
         m_intensity_map += p_dwba_simulation->getDWBAIntensity();
         delete p_dwba_simulation;
     } else {
         // Multithreading.
-        if(n_threads_total == 0 )  {
+        if(thread_info.n_threads == 0 )  {
             // Take optimal number of threads from the hardware.
-            n_threads_total = (int)boost::thread::hardware_concurrency();
+            thread_info.n_threads = (int)boost::thread::hardware_concurrency();
             msglog(MSG::INFO) <<
                 "Simulation::runSimulation() -> Info. Number of threads " <<
-                n_threads_total << " (taken from hardware concurrency)";
+                thread_info.n_threads << " (taken from hardware concurrency)";
         } else {
             msglog(MSG::INFO) <<
                 "Simulation::runSimulation() -> Info. Number of threads " <<
-                n_threads_total;
+                thread_info.n_threads;
         }
         std::vector<boost::thread*> threads;
         std::vector<DWBASimulation*> simulations;
 
         // Initialize n simulations.
-        ThreadInfo thread_info;
-        thread_info.n_threads = n_threads_total;
-        for(int i_thread=0; i_thread<n_threads_total; ++i_thread){
+        for(int i_thread=0; i_thread<thread_info.n_threads; ++i_thread){
             DWBASimulation *p_dwba_simulation =
                 mp_sample->createDWBASimulation();
             if (!p_dwba_simulation) throw NullPointerException(
                 "Simulation::runSimulation() -> No dwba simulation");
             p_dwba_simulation->init(*this);
-            thread_info.i_thread = i_thread;
+            thread_info.current_thread = i_thread;
             p_dwba_simulation->setThreadInfo(thread_info);
             simulations.push_back(p_dwba_simulation);
         }

Core/Tools/inc/OutputData.h

@@ -21,6 +21,7 @@
 #include "LLData.h"
 #include "OutputDataIterator.h"
 #include "SafePointerVector.h"
+#include "ThreadInfo.h"
 
 #include <sstream>
 
@@ -92,7 +93,21 @@ class OutputData
     iterator end() { return iterator(this, getAllocatedSize()); }
 
     //! Returns  read-only iterator that points to the one past last element
-    const_iterator end() const  { return const_iterator(this, getAllocatedSize()); }
+    const_iterator end() const {
+        return const_iterator(this, getAllocatedSize());
+    }
+
+    //! Returns  read/write iterator that points to the first element
+    iterator begin(ThreadInfo thread_info);
+
+    //! Returns  read-only iterator that points to the first element
+    const_iterator begin(ThreadInfo thread_info) const;
+
+    //! Returns  read/write iterator that points to the one past last element
+    iterator end(ThreadInfo thread_info);
+
+    //! Returns  read-only iterator that points to the one past last element
+    const_iterator end(ThreadInfo thread_info) const;
 
     //! Returns mask that will be used by iterators
     Mask *getMask() const { return mp_mask; }
@@ -336,6 +351,60 @@ typename OutputData<T>::const_iterator OutputData<T>::begin() const
     return result;
 }
 
+template <class T>
+typename OutputData<T>::iterator OutputData<T>::begin(ThreadInfo thread_info)
+{
+    size_t total_size = getAllocatedSize();
+    thread_info.imposeConsistency();
+    int start_index = thread_info.getBeginIndex(total_size);
+
+    typename OutputData<T>::iterator result(this, start_index);
+    if (mp_mask)
+        result.setMask(*mp_mask);
+    return result;
+}
+
+template <class T>
+typename OutputData<T>::const_iterator
+    OutputData<T>::begin(ThreadInfo thread_info) const
+{
+    size_t total_size = getAllocatedSize();
+    thread_info.imposeConsistency();
+    int start_index = thread_info.getBeginIndex(total_size);
+
+    typename OutputData<T>::const_iterator result(this, start_index);
+    if (mp_mask)
+        result.setMask(*mp_mask);
+    return result;
+}
+
+template <class T>
+typename OutputData<T>::iterator OutputData<T>::end(ThreadInfo thread_info)
+{
+    size_t total_size = getAllocatedSize();
+    thread_info.imposeConsistency();
+    int end_index = thread_info.getEndIndex(total_size);
+
+    typename OutputData<T>::iterator result(this, end_index);
+    if (mp_mask)
+        result.setMask(*mp_mask);
+    return result;
+}
+
+template <class T>
+typename OutputData<T>::const_iterator
+    OutputData<T>::end(ThreadInfo thread_info) const
+{
+    size_t total_size = getAllocatedSize();
+    thread_info.imposeConsistency();
+    int end_index = thread_info.getEndIndex(total_size);
+
+    typename OutputData<T>::const_iterator result(this, end_index);
+    if (mp_mask)
+        result.setMask(*mp_mask);
+    return result;
+}
+
 template <class T>
 void OutputData<T>::setMask(const Mask& mask)
 {

Core/Tools/inc/OutputDataIterator.h

@@ -39,11 +39,13 @@ template <class TValue, class TContainer> class OutputDataIterator
     OutputDataIterator(const OutputDataIterator<TValue, TContainer>& other);
 
     //! templated copy assignment
-    template<class TValue2, class TContainer2> OutputDataIterator<TValue, TContainer>& operator=(
+    template<class TValue2, class TContainer2>
+        OutputDataIterator<TValue, TContainer>& operator=(
             const OutputDataIterator<TValue2, TContainer2>& right);
 
     //! non-templated copy asssignment
-    OutputDataIterator<TValue, TContainer>& operator=(const OutputDataIterator<TValue, TContainer>& right);
+    OutputDataIterator<TValue, TContainer>& operator=(
+            const OutputDataIterator<TValue, TContainer>& right);
 
     virtual ~OutputDataIterator();
 
@@ -88,27 +90,16 @@ template <class TValue, class TContainer> class OutputDataIterator
     Mask *mp_mask;
 };
 
-//! comparison
-template <class TValue1, class TContainer1, class TValue2, class TContainer2> bool operator==(
-        const OutputDataIterator<TValue1, TContainer1>& left,
-        const OutputDataIterator<TValue2, TContainer2>& right) {
-    return left.getContainer()==right.getContainer() && left.getIndex()==right.getIndex();
-}
-
-template <class TValue1, class TContainer1, class TValue2, class TContainer2> bool operator!=(
-        const OutputDataIterator<TValue1, TContainer1>& left,
-        const OutputDataIterator<TValue2, TContainer2>& right) {
-    return !(left == right);
-}
-
-template<class TValue, class TContainer> OutputDataIterator<TValue, TContainer>::OutputDataIterator()
+template<class TValue, class TContainer>
+    OutputDataIterator<TValue, TContainer>::OutputDataIterator()
 : m_current_index(0)
 , mp_output_data(0)
 , mp_mask(0)
 {
 }
 
-template<class TValue, class TContainer> OutputDataIterator<TValue, TContainer>::OutputDataIterator(
+template<class TValue, class TContainer>
+    OutputDataIterator<TValue, TContainer>::OutputDataIterator(
         TContainer *p_output_data, size_t start_at_index)
 : m_current_index(start_at_index)
 , mp_output_data(p_output_data)
@@ -118,7 +109,8 @@ template<class TValue, class TContainer> OutputDataIterator<TValue, TContainer>:
 
 template<class TValue, class TContainer>
 template<class TValue2, class TContainer2>
-OutputDataIterator<TValue, TContainer>::OutputDataIterator(const OutputDataIterator<TValue2, TContainer2>& other)
+    OutputDataIterator<TValue, TContainer>::OutputDataIterator(
+        const OutputDataIterator<TValue2, TContainer2>& other)
 : m_current_index(0)
 , mp_output_data(0)
 , mp_mask(0)
@@ -130,7 +122,8 @@ OutputDataIterator<TValue, TContainer>::OutputDataIterator(const OutputDataItera
     }
 }
 
-template<class TValue, class TContainer> OutputDataIterator<TValue, TContainer>::OutputDataIterator(
+template<class TValue, class TContainer>
+    OutputDataIterator<TValue, TContainer>::OutputDataIterator(
         const OutputDataIterator<TValue, TContainer>& other)
 : m_current_index(0)
 , mp_output_data(0)
@@ -143,9 +136,28 @@ template<class TValue, class TContainer> OutputDataIterator<TValue, TContainer>:
     }
 }
 
+//! comparison
+template <class TValue1, class TContainer1, class TValue2, class TContainer2>
+    bool operator==(
+        const OutputDataIterator<TValue1, TContainer1>& left,
+        const OutputDataIterator<TValue2, TContainer2>& right)
+{
+    return left.getContainer()==right.getContainer() &&
+            left.getIndex()==right.getIndex();
+}
+
+template <class TValue1, class TContainer1, class TValue2, class TContainer2>
+    bool operator!=(
+        const OutputDataIterator<TValue1, TContainer1>& left,
+        const OutputDataIterator<TValue2, TContainer2>& right)
+{
+    return !(left == right);
+}
+
 template<class TValue, class TContainer>
 template<class TValue2, class TContainer2>
-OutputDataIterator<TValue, TContainer>& OutputDataIterator<TValue, TContainer>::operator=(
+    OutputDataIterator<TValue, TContainer>&
+    OutputDataIterator<TValue, TContainer>::operator=(
         const OutputDataIterator<TValue2, TContainer2>& right)
 {
     OutputDataIterator<TValue, TContainer> copy(right);
@@ -154,7 +166,8 @@ OutputDataIterator<TValue, TContainer>& OutputDataIterator<TValue, TContainer>::
 }
 
 template<class TValue, class TContainer>
-OutputDataIterator<TValue, TContainer>& OutputDataIterator<TValue, TContainer>::operator=(
+    OutputDataIterator<TValue, TContainer>&
+    OutputDataIterator<TValue, TContainer>::operator=(
         const OutputDataIterator<TValue, TContainer>& right)
 {
     OutputDataIterator<TValue, TContainer> copy(right);
@@ -162,12 +175,15 @@ OutputDataIterator<TValue, TContainer>& OutputDataIterator<TValue, TContainer>::
     return *this;
 }
 
-template<class TValue, class TContainer> OutputDataIterator<TValue, TContainer>::~OutputDataIterator()
+template<class TValue, class TContainer>
+    OutputDataIterator<TValue, TContainer>::~OutputDataIterator()
 {
     if (mp_mask) delete mp_mask;
 }
 
-template<class TValue, class TContainer> OutputDataIterator<TValue, TContainer>& OutputDataIterator<TValue, TContainer>::operator++()
+template<class TValue, class TContainer>
+    OutputDataIterator<TValue, TContainer>&
+    OutputDataIterator<TValue, TContainer>::operator++()
 {
     if (mp_mask) {
         m_current_index = mp_mask->getNextIndex(m_current_index);
@@ -180,7 +196,9 @@ template<class TValue, class TContainer> OutputDataIterator<TValue, TContainer>&
     return *this;
 }
 
-template<class TValue, class TContainer> OutputDataIterator<TValue, TContainer> OutputDataIterator<TValue, TContainer>::operator++(int dummy)
+template<class TValue, class TContainer>
+    OutputDataIterator<TValue, TContainer>
+    OutputDataIterator<TValue, TContainer>::operator++(int dummy)
 {
     (void)dummy;
     OutputDataIterator<TValue, TContainer> result(*this);
@@ -188,17 +206,20 @@ template<class TValue, class TContainer> OutputDataIterator<TValue, TContainer>
     return result;
 }
 
-template<class TValue, class TContainer> TValue& OutputDataIterator<TValue, TContainer>::operator*() const
+template<class TValue, class TContainer> TValue&
+    OutputDataIterator<TValue, TContainer>::operator*() const
 {
     return (*mp_output_data)[m_current_index];
 }
 
-template<class TValue, class TContainer> TValue* OutputDataIterator<TValue, TContainer>::operator->() const
+template<class TValue, class TContainer> TValue*
+    OutputDataIterator<TValue, TContainer>::operator->() const
 {
     return& ((*mp_output_data)[m_current_index]);
 }
 
-template<class TValue, class TContainer> void OutputDataIterator<TValue, TContainer>::setMask(const Mask& mask)
+template<class TValue, class TContainer>
+    void OutputDataIterator<TValue, TContainer>::setMask(const Mask& mask)
 {
     if (mp_mask !=& mask) {
         delete mp_mask;
@@ -208,10 +229,13 @@ template<class TValue, class TContainer> void OutputDataIterator<TValue, TContai
     m_current_index = mp_mask->getFirstValidIndex();
 }
 
-template<class TValue, class TContainer> void OutputDataIterator<TValue, TContainer>::addMask(const Mask& mask)
+template<class TValue, class TContainer>
+    void OutputDataIterator<TValue, TContainer>::addMask(const Mask& mask)
 {
     if (mask.mp_submask) {
-        throw RuntimeErrorException("OutputDataIterator<>::addMask() -> Error! One can only add single masks to OutputDataIterator at a time");
+        throw RuntimeErrorException("OutputDataIterator<>::addMask()"
+            " -> Error! One can only add single masks to OutputDataIterator"
+            " at a time");
     }
     Mask *p_old_mask = getMask();
     mp_mask = mask.clone();
@@ -220,7 +244,9 @@ template<class TValue, class TContainer> void OutputDataIterator<TValue, TContai
     m_current_index = mp_mask->getFirstValidIndex();
 }
 
-template<class TValue, class TContainer> void OutputDataIterator<TValue, TContainer>::swapContents(OutputDataIterator<TValue, TContainer>& other)
+template<class TValue, class TContainer>
+    void OutputDataIterator<TValue, TContainer>::swapContents(
+        OutputDataIterator<TValue, TContainer>& other)
 {
     std::swap(this->m_current_index, other.m_current_index);
     std::swap(this->mp_output_data, other.mp_output_data);

Core/Tools/src/CoreOptionsDescription.cpp

@@ -27,11 +27,18 @@ void AddCoreOptions(ProgramOptions *p_options)
     // general options
     bpo::options_description core_options("Core options");
     core_options.add_options()
-            ("threads", bpo::value<int>()->default_value(-1), "number of threads\n"
-             "arg<0 - no threads, arg=0 - system optimal, otherwise specified number of threads.")
-             ("msglog", bpo::value<std::string>()->default_value("ERROR"), "Logging at one of the levels "
-              "VERBOSE, DEBUG, INFO, WARNING, ERROR, FATAL"
-             );
+            ("threads", bpo::value<int>()->default_value(-1),
+             "number of threads\n"
+             "arg<0 - no threads, arg=0 - system optimal, otherwise"
+             " specified number of threads.")
+            ("nbatches", bpo::value<int>()->default_value(1),
+             "number of batches\n")
+            ("batch", bpo::value<int>()->default_value(0),
+             "current batch number (must be smaller than \"nbatches\")")
+            ("msglog", bpo::value<std::string>()->default_value("ERROR"),
+             "Logging at one of the levels "
+             "VERBOSE, DEBUG, INFO, WARNING, ERROR, FATAL"
+            );
     // adding options into main options holder
     p_options->add(core_options);
 }

Core/Tools/src/ProgramOptions.cpp

@@ -31,8 +31,9 @@ ProgramOptions::ProgramOptions() : m_options_is_consistent(false)
 const bpo::variable_value& ProgramOptions::operator[] (const std::string& s) const
 {
     if( !m_options_is_consistent ) {
-        // no consistent options, there reason might be that no call to parseConfigFile
-        // has been made (for example due to the absence of main())
+        // no consistent options, the reason might be that no call to
+        // parseConfigFile has been made (for example due to the absence of
+        // main())
         //parseConfigFile();
         //throw LogicErrorException("ProgramOptions::operator[] -> FixMe! No config file parsed yet.");
     }
@@ -48,12 +49,13 @@ void ProgramOptions::parseCommandLine(int argc, char **argv)
 
     // parsing command line arguments
     try {
-        // if positional option description is empty, no command line arguments without '--' or '-' will be accepted
+        // if positional option description is empty, no command line arguments
+        // without '--' or '-' will be accepted
         // 'store' populates the variable map
         bpo::store( bpo::command_line_parser( argc, argv).options( m_options ).positional( m_positional_options ).run(), m_variables_map);
         //bpo::store(bpo::parse_command_line(argc, argv, m_options), m_variables_map);
 
-        // 'notify' raises any erros encountered
+        // 'notify' raises any errors encountered
         bpo::notify(m_variables_map);
 
         if (m_variables_map.count("help") || argc == 1) {

Tests/UnitTests/TestCore/AxisDoubleTest.h

+// ************************************************************************** //
+//
+//  BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file      ThreadInfoTest.h
+//! @brief     Defines unit test for AxisDouble class.
+//!
+//! @homepage  http://apps.jcns.fz-juelich.de/BornAgain
+//! @license   GNU General Public License v3 or higher (see COPYING)
+//! @copyright Forschungszentrum Jülich GmbH 2013
+//! @authors   Scientific Computing Group at MLZ Garching
+//! @authors   C. Durniak, G. Pospelov, W. Van Herck, J. Wuttke
+//
+// ************************************************************************** //
+
 #ifndef AXISDOUBLETEST_H
 #define AXISDOUBLETEST_H
 

Tests/UnitTests/TestCore/TestCore.pro

@@ -28,6 +28,7 @@ HEADERS += \
     ParameterPoolTest.h \
     RealParameterWrapperTest.h \
     SimulationTest.h \
+    ThreadInfoTest.h \
 
 #OBJECTS_DIR = obj
 

Tests/UnitTests/TestCore/ThreadInfoTest.h

+// ************************************************************************** //
+//
+//  BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file      ThreadInfoTest.h
+//! @brief     Defines unit test for ThreadInfo class.
+//!
+//! @homepage  http://apps.jcns.fz-juelich.de/BornAgain
+//! @license   GNU General Public License v3 or higher (see COPYING)
+//! @copyright Forschungszentrum Jülich GmbH 2013
+//! @authors   Scientific Computing Group at MLZ Garching
+//! @authors   C. Durniak, G. Pospelov, W. Van Herck, J. Wuttke
+//
+// ************************************************************************** //
+
+#ifndef THREADINFOTEST_H_
+#define THREADINFOTEST_H_
+
+#include "ThreadInfo.h"
+
+#include "gtest/gtest.h"
+
+class ThreadInfoTest : public ::testing::Test
+{
+ protected:
+    ThreadInfoTest()
+        : thread_info() {}
+
+    ThreadInfo thread_info;
+};
+
+TEST_F(ThreadInfoTest, DefaultIsSingleBatchAndThread)
+{
+    EXPECT_EQ(1, thread_info.n_batches);
+    EXPECT_EQ(0, thread_info.current_batch);
+    EXPECT_EQ(1, thread_info.n_threads);
+    EXPECT_EQ(0, thread_info.current_thread);
+}
+
+TEST_F(ThreadInfoTest, MakeValuesConsistent)
+{
+    thread_info.n_batches = 0;
+    thread_info.n_threads = -1;
+    thread_info.current_batch = -5;
+    thread_info.current_thread = 10;
+    EXPECT_EQ(0, thread_info.n_batches);
+    EXPECT_EQ(-5, thread_info.current_batch);
+    EXPECT_EQ(-1, thread_info.n_threads);
+    EXPECT_EQ(10, thread_info.current_thread);
+    thread_info.imposeConsistency();
+    EXPECT_EQ(1, thread_info.n_batches);
+    EXPECT_EQ(0, thread_info.current_batch);
+    EXPECT_EQ(1, thread_info.n_threads);
+    EXPECT_EQ(0, thread_info.current_thread);
+}
+
+TEST_F(ThreadInfoTest, BeginIndex)
+{
+    thread_info.n_batches = 4;
+    thread_info.n_threads = 3;
+
+    thread_info.current_batch = 0;
+    thread_info.current_thread = 0;
+    EXPECT_EQ(0, thread_info.getBeginIndex(20));
+
+    thread_info.current_batch = 0;
+    thread_info.current_thread = 1;
+    EXPECT_EQ(2, thread_info.getBeginIndex(20));
+
+    thread_info.current_batch = 0;
+    thread_info.current_thread = 2;
+    EXPECT_EQ(4, thread_info.getBeginIndex(20));
+
+    thread_info.current_batch = 1;
+    thread_info.current_thread = 0;
+    EXPECT_EQ(5, thread_info.getBeginIndex(20));
+
+    thread_info.current_batch = 2;
+    thread_info.current_thread = 0;
+    EXPECT_EQ(10, thread_info.getBeginIndex(20));
+
+    thread_info.current_batch = 3;
+    thread_info.current_thread = 0;
+    EXPECT_EQ(15, thread_info.getBeginIndex(18));
+
+    thread_info.current_batch = 3;
+    thread_info.current_thread = 2;
+    EXPECT_EQ(17, thread_info.getBeginIndex(18));
+}
+
+TEST_F(ThreadInfoTest, EndIndex)
+{
+    thread_info.n_batches = 4;
+    thread_info.n_threads = 3;
+
+    thread_info.current_batch = 0;
+    thread_info.current_thread = 0;
+    EXPECT_EQ(2, thread_info.getEndIndex(20));
+
+    thread_info.current_batch = 0;
+    thread_info.current_thread = 1;
+    EXPECT_EQ(4, thread_info.getEndIndex(20));
+
+    thread_info.current_batch = 0;
+    thread_info.current_thread = 2;
+    EXPECT_EQ(5, thread_info.getEndIndex(20));
+
+    thread_info.current_batch = 1;
+    thread_info.current_thread = 0;
+    EXPECT_EQ(7, thread_info.getEndIndex(20));
+
+    thread_info.current_batch = 2;
+    thread_info.current_thread = 0;
+    EXPECT_EQ(12, thread_info.getEndIndex(20));
+
+    thread_info.current_batch = 3;
+    thread_info.current_thread = 2;
+    EXPECT_EQ(18, thread_info.getEndIndex(18));
+
+    thread_info.current_batch = 3;
+    thread_info.current_thread = 2;
+    EXPECT_EQ(20, thread_info.getEndIndex(20));
+}
+
+TEST_F(ThreadInfoTest, ZeroSizeBatchesThreads)
+{
+    thread_info.n_batches = 4;
+    thread_info.n_threads = 4;
+
+    thread_info.current_batch = 0;
+    thread_info.current_thread = 0;
+    EXPECT_EQ(0, thread_info.getBeginIndex(10));
+    EXPECT_EQ(1, thread_info.getEndIndex(10));
+
+    thread_info.current_batch = 0;
+    thread_info.current_thread = 1;
+    EXPECT_EQ(1, thread_info.getBeginIndex(10));
+    EXPECT_EQ(2, thread_info.getEndIndex(10));
+
+    thread_info.current_batch = 0;
+    thread_info.current_thread = 2;
+    EXPECT_EQ(2, thread_info.getBeginIndex(10));
+    EXPECT_EQ(3, thread_info.getEndIndex(10));
+
+    thread_info.current_batch = 0;
+    thread_info.current_thread = 3;
+    EXPECT_EQ(10, thread_info.getBeginIndex(10));
+    EXPECT_EQ(10, thread_info.getEndIndex(10));
+
+    thread_info.current_batch = 3;
+    thread_info.current_thread = 1;
+    EXPECT_EQ(10, thread_info.getBeginIndex(10));
+    EXPECT_EQ(10, thread_info.getEndIndex(10));
+
+    thread_info.current_batch = 3;
+    thread_info.current_thread = 2;
+    EXPECT_EQ(10, thread_info.getBeginIndex(10));
+    EXPECT_EQ(10, thread_info.getEndIndex(10));
+}
+
+
+
+#endif /* THREADINFOTEST_H_ */

Tests/UnitTests/TestCore/main.cpp

@@ -14,6 +14,7 @@
 #include "OutputDataTest.h"
 #include "ParameterPoolTest.h"
 #include "RealParameterWrapperTest.h"
+#include "ThreadInfoTest.h"
 
 struct ErrorStreamRedirect {
     ErrorStreamRedirect( std::streambuf * new_buffer )

XCode_BornAgain.xcodeproj/project.pbxproj

@@ -71580,6 +71580,7 @@
 				GCC_WARN_UNUSED_VARIABLE = YES;
 				HEADER_SEARCH_PATHS = (
 					/opt/local/include,
+					/opt/local/include/eigen3,
 					"${ROOT_INCLUDE}",
 					"${SRCROOT}/App",
 				);
@@ -71616,6 +71617,7 @@
 				GCC_WARN_UNUSED_VARIABLE = YES;
 				HEADER_SEARCH_PATHS = (
 					/opt/local/include,
+					/opt/local/include/eigen3,
 					"${ROOT_INCLUDE}",
 					"${SRCROOT}/App",
 				);
@@ -71655,6 +71657,7 @@
 				HEADER_SEARCH_PATHS = (
 					/opt/local/include,
 					/opt/local/include/boost,
+					/opt/local/include/eigen3,
 					"${PYTHON_INCLUDE}",
 					"${PYTHON_NUMPY_INCLUDE}",
 				);
@@ -71697,6 +71700,7 @@
 				HEADER_SEARCH_PATHS = (
 					/opt/local/include,
 					/opt/local/include/boost,
+					/opt/local/include/eigen3,
 					"${PYTHON_INCLUDE}",
 					"${PYTHON_NUMPY_INCLUDE}",
 				);
@@ -72064,8 +72068,9 @@
 				GCC_WARN_UNUSED_VARIABLE = YES;
 				HEADER_SEARCH_PATHS = (
 					/opt/local/include,
-					/opt/local/include/root,
 					/opt/local/include/boost,
+					/opt/local/include/eigen3,
+					/opt/local/include/root,
 					"${PYTHON_INCLUDE}",
 					"${PYTHON_NUMPY_INCLUDE}",
 				);
@@ -72109,8 +72114,9 @@
 				GCC_WARN_UNUSED_VARIABLE = YES;
 				HEADER_SEARCH_PATHS = (
 					/opt/local/include,
-					/opt/local/include/root,
 					/opt/local/include/boost,
+					/opt/local/include/eigen3,
+					/opt/local/include/root,
 					"${PYTHON_INCLUDE}",
 					"${PYTHON_NUMPY_INCLUDE}",
 				);