Merge branch 'GUI_pythonscriptsamples' into develop

GUI/coregui/Models/PythonScriptSampleBuilder.cpp

+#include "PythonScriptSampleBuilder.h"
+
+#include <Python.h>
+#include <boost/python.hpp>
+#include <cstring>
+#include <QByteArray>
+
+namespace bp = boost::python;
+
+const char *PythonScriptSampleBuilder::m_class_name = "PythonSampleBuilder";
+const char *PythonScriptSampleBuilder::m_const_function_name = "buildSample";
+
+PythonScriptSampleBuilder::PythonScriptSampleBuilder(QString script_path)
+    : m_script_path(script_path)
+{
+}
+
+PythonScriptSampleBuilder::~PythonScriptSampleBuilder()
+{
+    // release python objects
+}
+
+ISample *PythonScriptSampleBuilder::buildSample() const
+{
+    PyObject *pName, *pModule, *pDict, *pClass, *pInstance, *pValue;
+    Py_Initialize();
+    // add path to script:
+    QString addPathPython("sys.path.append('");
+    addPathPython.append(m_script_path.path());
+    addPathPython.append("')");
+    QByteArray path_command = addPathPython.toLocal8Bit();
+    PyRun_SimpleString("import sys");
+    PyRun_SimpleString(path_command.data());
+    PyRun_SimpleString("sys.path.append('/Users/herck/Development/git/BornAgain/lib')");
+    // use predefined function in python module to create a pyobject
+    // which is then 'extracted' to ISample* by boost::python
+    // build the name object
+    QByteArray script_name = m_script_path.completeBaseName().toLocal8Bit();
+    pName = PyString_FromString(script_name.data());
+
+    // load the module object
+    pModule = PyImport_Import(pName);
+
+    // pDict is a borrowed reference
+    pDict = PyModule_GetDict(pModule);
+
+    // get class and instance
+    pClass = PyDict_GetItemString(pDict, m_class_name);
+    pInstance = PyObject_CallObject(pClass, 0);
+
+    // get the ISample PyObject
+    char function_name[12];
+    std::strcpy(function_name, m_const_function_name);
+    pValue = PyObject_CallMethod(pInstance, function_name, 0);
+    ISample *pResult = bp::extract<ISample *>(pValue);
+
+    return pResult;
+}

GUI/coregui/Models/PythonScriptSampleBuilder.h

+#ifndef PYTHONSCRIPTSAMPLEBUILDER_H
+#define PYTHONSCRIPTSAMPLEBUILDER_H
+
+#include "ISampleBuilder.h"
+
+#include <QFileInfo>
+
+class PythonScriptSampleBuilder : public ISampleBuilder
+{
+public:
+    PythonScriptSampleBuilder(QString script_path);
+    virtual ~PythonScriptSampleBuilder();
+
+    virtual ISample *buildSample() const;
+private:
+    QFileInfo m_script_path;
+    static const char *m_class_name;
+    static const char *m_const_function_name;
+};
+
+#endif // PYTHONSCRIPTSAMPLEBUILDER_H

GUI/coregui/Views/SimulationView.cpp

@@ -4,6 +4,7 @@
 #include "Simulation.h"
 #include "JobModel.h"
 #include "mainwindow.h"
+#include "PythonScriptSampleBuilder.h"
 
 #include <QGroupBox>
 #include <QPushButton>
@@ -12,6 +13,8 @@
 #include <QLabel>
 #include <QGridLayout>
 #include <QMessageBox>
+#include <QFileDialog>
+#include <QDir>
 
 SimulationView::SimulationView(SimulationDataModel *p_simulation_data_model, QWidget *parent)
     : QWidget(parent)
@@ -67,16 +70,21 @@ SimulationView::SimulationView(SimulationDataModel *p_simulation_data_model, QWi
     // run simulation button
     runSimulationButton = new QPushButton(tr("Run Simulation"));
 
+    // run simulation with python script sample builder
+    runPyScriptSimulation = new QPushButton(tr("And now for something completely different..."));
+
     // main layout
     QVBoxLayout *mainLayout = new QVBoxLayout;
     mainLayout->addWidget(inputDataGroup);
     mainLayout->addWidget(simulationParametersGroup);
     mainLayout->addWidget(runSimulationButton);
+    mainLayout->addWidget(runPyScriptSimulation);
     mainLayout->addStretch();
     setLayout(mainLayout);
 
     // signal and slots
     connect(runSimulationButton, SIGNAL(clicked()), this, SLOT(onRunSimulation()));
+    connect(runPyScriptSimulation, SIGNAL(clicked()), this, SLOT(onPythonJobLaunched()));
 }
 
 void SimulationView::updateViewElements()
@@ -114,6 +122,31 @@ void SimulationView::onRunSimulation()
                              tr("The simulation is now calculating."));
 }
 
+void SimulationView::onPythonJobLaunched()
+{
+    Instrument *p_instrument = mp_simulation_data_model->getInstrumentList().value(
+                instrumentSelectionBox->currentText(), 0);
+    if (!p_instrument) {
+        QMessageBox::warning(this, tr("No Instrument Selected"),
+                             tr("You must select an instrument first."));
+        return;
+    }
+//    QString file_name = QFileDialog::getOpenFileName(this, tr("Select Python Script"),
+//                                                     QDir::homePath(), tr("Python scripts (*.py)"));
+    QString file_name("/Users/herck/Development/git/BornAgain/GUI/test_sample_builder");
+    PythonScriptSampleBuilder builder(file_name);
+    ISample *p_sample = builder.buildSample();
+    Simulation *p_sim = new Simulation;
+    p_sim->setSample(*p_sample);
+    p_sim->setInstrument(*p_instrument);
+    JobModel *p_new_job = new JobModel(p_sim);
+    connect(p_new_job, SIGNAL(finished()), this, SLOT(onJobFinished()));
+    p_new_job->start();
+    // initialize a Simulation object and run it
+    QMessageBox::information(this, tr("Simulation Started"),
+                             tr("The simulation is now calculating."));
+}
+
 void SimulationView::onJobFinished()
 {
     QMessageBox::information(this, tr("Simulation Job Finished"),

GUI/coregui/Views/SimulationView.h

@@ -17,6 +17,7 @@ public:
 
 public slots:
     void onRunSimulation();
+    void onPythonJobLaunched();
     void onJobFinished();
 
 private:
@@ -24,6 +25,7 @@ private:
     QComboBox *instrumentSelectionBox;
     QComboBox *sampleSelectionBox;
     QPushButton *runSimulationButton;
+    QPushButton *runPyScriptSimulation;
 };
 
 #endif // SIMULATIONVIEW_H

GUI/coregui/coregui.pro

@@ -39,7 +39,8 @@ SOURCES += \
     Views/WelcomeView.cpp \
     Views/sampleeditor.cpp \
     Views/sampleeditorstack.cpp \
-    Models/JobModel.cpp
+    Models/JobModel.cpp \
+    Models/PythonScriptSampleBuilder.cpp
 
 HEADERS  += \
     mainwindow/imode.h \
@@ -59,7 +60,8 @@ HEADERS  += \
     Views/WelcomeView.h \
     Views/sampleeditor.h \
     Views/sampleeditorstack.h \
-    Models/JobModel.h
+    Models/JobModel.h \
+    Models/PythonScriptSampleBuilder.h
 
 INCLUDEPATH += $$PWD/mainwindow $$PWD/utils $$PWD/welcomemanager $$PWD/samplemanager $$PWD/experimentmanager $$PWD/simulationmanager $$PWD/fitmanager
 INCLUDEPATH += $$PWD/mainwindow $$PWD/utils $$PWD/Views $$PWD/Models
@@ -112,13 +114,17 @@ isEmpty(MYROOT) {
   MYROOTCINT = $${MYROOT}/bin/rootcint
 }
 
+
 #FORMS += \
 #    testform.ui
 
 RESOURCES   += coregui.qrc
 
+# python include and library flags:
+pythonvers=$$system("python -c 'import sys; sys.stdout.write(sys.version[:3])'")
+INCLUDEPATH += $$system("python -c 'import sys; sys.stdout.write(sys.prefix + \"/include/python\" + sys.version[:3])'")
+LIBS += -L$$system("python -c 'import sys; sys.stdout.write(sys.prefix + \"/lib\" )'") -lboost_python -lpython$$pythonvers
 
 lessThan(QT_MAJOR_VERSION, 5): LIBS += -lQtDesigner -lQtDesignerComponents -lQtXml
 #lessThan(QT_MAJOR_VERSION, 5): LIBS += -lQtDesigner -lQtDesignerComponents -lQtScript -lQtXml
 
-

GUI/test_sample_builder.py

+#
+# extending C++ ISampleBuilder class in python
+#
+# The idea is following. We derive python's MySampleBuilder class from C++ ISampleBuilder.
+# MySampleBuilder has set of registered parameters and redefined method 'buildSample' which
+# build and return some complicated sample
+#
+# MySampleBuilder is passed to the GISASFWExperiment instance (i.e. inside C++) and then experiment (C++) can
+# call MySampleBuilder (python) for new sample.
+import sys, os
+
+sys.path.append(os.path.abspath(
+                os.path.join(os.path.split(__file__)[0],
+                '..', '..', '..', 'lib')))
+
+from libBornAgainCore import *
+
+
+#-----------------------------------------------------------
+# Cylinders with interference
+# Function constructs sample depending on three parameters
+#-----------------------------------------------------------
+def BuildSample(m_layer_thickness, m_cylinder_height, m_cylinder_radius):
+    n_particle = complex(1.0-5e-5, 2e-8)
+    p_air_material = MaterialManager.instance().addHomogeneousMaterial("Air", 1.0, 0.0)
+    p_layer_material = MaterialManager.instance().addHomogeneousMaterial("Layer", 1.0-2e-6, 2e-8)
+    p_substrate_material = MaterialManager.instance().addHomogeneousMaterial("Substrate", 1.0-2e-6, 2e-8)
+
+    air_layer = Layer(p_air_material)
+    middle_layer = Layer(p_layer_material, m_layer_thickness)
+    substrate_layer = Layer(p_substrate_material)
+
+    interference_funtion = InterferenceFunction1DParaCrystal(20.0*nanometer, 7*nanometer, 1e7*nanometer)
+    ff_cylinder = FormFactorCylinder(m_cylinder_height, m_cylinder_radius)
+    nano_particle = Particle(n_particle, ff_cylinder )
+    particle_collection = ParticleDecoration()
+    particle_collection.addParticle(nano_particle)
+    particle_collection.addInterferenceFunction(interference_funtion)
+    layer_with_particles = LayerDecorator(air_layer, particle_collection)
+
+    p_multi_layer = MultiLayer()
+    p_multi_layer.addLayer(layer_with_particles)
+    p_multi_layer.addLayer(middle_layer)
+    p_multi_layer.addLayer(substrate_layer)
+    return p_multi_layer
+
+
+# ---------------------------------------------------------------
+# defining SampleBuilder class which will build samples for us
+# 
+# ---------------------------------------------------------------
+class PythonSampleBuilder(ISampleBuilder):
+    def __init__(self):
+        ISampleBuilder.__init__(self)
+        print "MySampleBuilder ctor"
+        self.sample = ISample() # this should be the  class variable to increment reference counter and hold object created in buildSample while C++ processes it
+
+
+    def buildSample(self):
+        self.sample = BuildSample(10, 5, 5)
+        return self.sample
+
+
+
+