added polefigure export #355

pyrs/core/polefigurecalculator.py

@@ -114,7 +114,8 @@ def get_polefigure_array(self, peak_id):
             self.calculate_pole_figure()
             return self._pole_figure_dict[peak_id]
 
-    def export_pole_figure(self, detector_id_list,  file_name, file_type, file_header=''):
+    def export_pole_figure(self, output_folder: str = '', peak_id_list: list = [], peak_name_list: list = [],
+                           run_number: int = 0, file_type: str = 'mtex', file_header: str = ''):
         """
         exported the calculated pole figure
         :param detector_id_list: list of detector IDs to write the pole figure file
@@ -126,22 +127,24 @@ def export_pole_figure(self, detector_id_list,  file_name, file_type, file_heade
         # TESTME - 20180711 - Clean this method and allow user to specifiy header
 
         # process detector ID list
-        if detector_id_list is None:
-            detector_id_list = self.get_detector_ids()
+        if peak_id_list is None:
+            peak_id_list = self.get_detector_ids()
         else:
-            checkdatatypes.check_list('Detector IDs', detector_id_list)
-
-        # check inputs
-        checkdatatypes.check_file_name(file_name, check_exist=False, check_writable=True)
-        checkdatatypes.check_string_variable('Output pole figure file type/format', file_type)
-
-        # it is a dictionary now
-        if file_type.lower() == 'ascii':
-            # export pole figure arrays as ascii column file
-            export_arrays_to_ascii(self._pole_figure_dict, detector_id_list, file_name)
-        elif file_type.lower() == 'mtex':
-            # export to MTEX format
-            export_to_mtex(self._pole_figure_dict, detector_id_list, file_name, header=file_header)
+            checkdatatypes.check_list('Detector IDs', peak_id_list)
+
+        for i_peak in range(len(peak_id_list)):
+            file_name = '{}/HB2B_{}_{}'.format(output_folder, run_number, peak_name_list[i_peak])
+            # check inputs
+            checkdatatypes.check_file_name(file_name, check_exist=False, check_writable=True)
+            checkdatatypes.check_string_variable('Output pole figure file type/format', file_type)
+
+            # it is a dictionary now
+            if file_type.lower() == 'ascii':
+                # export pole figure arrays as ascii column file
+                export_arrays_to_ascii(self._pole_figure_dict, peak_id_list, file_name)
+            elif file_type.lower() == 'mtex':
+                # export to MTEX format
+                export_to_mtex(self._pole_figure_dict, [peak_id_list[i_peak]], file_name, header=file_header)
 
         return
 
@@ -162,11 +165,7 @@ def get_pole_figure_1_pt(self, det_id: int, log_index: int) -> Tuple[float, floa
         log_index = to_int('Sample log index', log_index)
 
         # get raw parameters' fitted value
-        log_index_vec, pole_figure_vec = self._pole_figure_dict[det_id]
-
-        # check
-        if log_index != int(log_index_vec[log_index]):
-            raise RuntimeError('Log index {0} does not match the value in log index vector')
+        pole_figure_vec = self._pole_figure_dict[det_id]
 
         pf_tuple = pole_figure_vec[log_index]
         alpha = pf_tuple[0]
@@ -224,27 +223,28 @@ def reset_calculator(self):
         self._pole_figure_dict = dict()
 
 
-def export_arrays_to_ascii(pole_figure_array_dict, detector_id_list, file_name):
+def export_arrays_to_ascii(pole_figure_array_dict: dict, peak_id_list: list, file_name: str):
     """
     export a dictionary of arrays to an ASCII file
     :param file_name:
     :param detector_id_list: selected the detector IDs for pole figure
     :param pole_figure_array_dict:
     :return:
     """
-    # check input types
-    checkdatatypes.check_dict('Pole figure array dictionary', pole_figure_array_dict)
-    checkdatatypes.check_list('Detector ID list', detector_id_list)
 
     print('[INFO] Export Pole Figure Arrays To ASCII:\nKeys: {0}\nValues[0]: {1}'
           ''.format(pole_figure_array_dict.keys(), pole_figure_array_dict.values()[0]))
 
+    # check for correct file extension
+    if '.txt' not in file_name:
+        file_name = '{}.txt'.format(file_name.replace('.jul', ''))
+
     # combine
-    pole_figure_array_list = list()
-    for pf_key in pole_figure_array_dict.keys():
-        index_vec, pole_figure_vec = pole_figure_array_dict[pf_key]
+    pole_figure_array_list = []
+    for pf_key in peak_id_list:
+        pole_figure_vec = pole_figure_array_dict[pf_key]
 
-        if pf_key not in detector_id_list:
+        if pf_key not in peak_id_list:
             raise NotImplementedError('The data structure of pole figure array is not clear. '
                                       'Find out how detector IDs are involved.')
 
@@ -260,7 +260,7 @@ def export_arrays_to_ascii(pole_figure_array_dict, detector_id_list, file_name):
     return
 
 
-def export_to_mtex(pole_figure_array_dict, detector_id_list, file_name, header):
+def export_to_mtex(pole_figure_array_dict: dict, peak_id_list: list, file_name: str, header: str):
     """
     export to mtex format, which includes
     line 1: NRSF2
@@ -273,9 +273,10 @@ def export_to_mtex(pole_figure_array_dict, detector_id_list, file_name, header):
     :param header
     :return:
     """
-    # check input types
-    checkdatatypes.check_dict('Pole figure array dictionary', pole_figure_array_dict)
-    checkdatatypes.check_list('Detector ID list', detector_id_list)
+
+    # check for correct file extension
+    if '.jul' not in file_name:
+        file_name = '{}.jul'.format(file_name.replace('.jul', ''))
 
     # initialize output string: MTEX HEAD
     mtex = 'NRSF2\n'
@@ -285,15 +286,9 @@ def export_to_mtex(pole_figure_array_dict, detector_id_list, file_name, header):
     mtex += '{0}\n'.format(header)
 
     # writing data
-    pf_keys = sorted(pole_figure_array_dict.keys())
-    for pf_key in pf_keys:
-        print('[STUDY ]Pole figure key = {}.  It is in detector ID list {} = {}'
-              ''.format(pf_key, detector_id_list, pf_key in detector_id_list))
-        if pf_key not in detector_id_list:
-            raise NotImplementedError('The data structure of pole figure array is not clear. '
-                                      'Find out how detector IDs are involved.')
+    for pf_key in peak_id_list:
 
-        sample_log_index, pole_figure_array = pole_figure_array_dict[pf_key]
+        pole_figure_array = pole_figure_array_dict[pf_key]
         for i_pt in range(pole_figure_array.shape[0]):
             mtex += '{0:5.5f}\t{1:5.5f}\t{2:5.5f}\n' \
                     ''.format(pole_figure_array[i_pt, 0], pole_figure_array[i_pt, 1], pole_figure_array[i_pt, 2])

pyrs/interface/peak_fitting/fit_table.py

@@ -67,7 +67,7 @@ def set_item(value='', fitting_worked=True):
             if np.isnan(_microstrain):
                 str_strain_value = "nan"
             else:
-                str_strain_value = str(np.int(_microstrain))
+                str_strain_value = str(np.int32(_microstrain))
             _item = set_item(value=str_strain_value, fitting_worked=_fitting_worked)
             self.parent.ui.tableView_fitSummary.setItem(_row, _global_col_index, _item)
             _global_col_index += 1
@@ -78,7 +78,7 @@ def set_item(value='', fitting_worked=True):
             _global_col_index += 1
 
     def _get_d_spacing_to_display(self, peak_selected=1, peak_collection=None):
-        _d_reference = np.float(str(self.parent.ui.peak_range_table.item(peak_selected-1, 3).text()))
+        _d_reference = np.float32(str(self.parent.ui.peak_range_table.item(peak_selected-1, 3).text()))
         peak_collection.set_d_reference(values=_d_reference)
         values, error = peak_collection.get_dspacing_center()
         if self.parent.ui.radioButton_fit_value.isChecked():

pyrs/interface/texture_fitting/texture_fitting_crtl.py

@@ -199,3 +199,12 @@ def extract_polar_projection(self, peak_number):
 
         else:
             return None
+
+    def export_polar_projection(self, output_folder, peak_id_list, peak_label_list):
+
+        if self._model._polefigureinterface is not None:
+            self._model._polefigureinterface.calculate_pole_figure()
+            self._model._polefigureinterface.export_pole_figure(output_folder=output_folder,
+                                                                peak_id_list=peak_id_list,
+                                                                peak_name_list=peak_label_list,
+                                                                run_number=self._model.runnumber)

pyrs/interface/texture_fitting/texture_fitting_model.py

@@ -22,27 +22,29 @@ def __init__(self, peak_fit_core):
         self.ws = None
         self.peak_fit_engine = None
         self._polefigureinterface = None
+        self._run_number = None
+
+    @property
+    def runnumber(self):
+        return self._run_number
 
     def set_workspaces(self, name, filenames):
         setattr(self, name, filenames)
 
-    def get_default_csv_filename(self):
-        runs = [[peak_collection.runnumber for peak_collection in getattr(self._stress, f'strain{d}').peak_collections]
-                for d in ('11', '22', '33')]
-        runnumbers = []
-        for runs in runs:
-            for runnumber in runs:
-                if runnumber != -1:
-                    runnumbers.append(str(runnumber))
-        return "HB2B_{}_stress_grid_{}.csv".format('_'.join(runnumbers),
-                                                   self.selectedPeak)
-
     def load_hidra_project_file(self, filename):
+
         try:
             source_project = HidraProjectFile(filename, mode=HidraProjectFileMode.READONLY)
             self.ws = HidraWorkspace(filename)
             self.ws.load_hidra_project(source_project, False, True)
             self.sub_runs = np.array(self.ws.get_sub_runs())
+
+            for part in filename.split('/')[-1].replace('.h5', '').split('_'):
+                try:
+                    self._run_number = int(part)
+                except ValueError:
+                    pass
+
         except Exception as e:
             self.failureMsg.emit(f"Failed to load {filename}. Check that this is a Hidra Project File",
                                  str(e),

pyrs/interface/texture_fitting/texture_fitting_viewer.py

@@ -540,6 +540,7 @@ def __init__(self, parent=None):
         self.fit_range = QGroupBox()
         self.fit_range_layout = QVBoxLayout()
         self.fit_range.setTitle("Peak Ranges")
+        self.fit_range.setFlat(True)
 
         self.save_load_fit = QGroupBox()
         self.save_load_fit_layout = QHBoxLayout()
@@ -553,6 +554,7 @@ def __init__(self, parent=None):
         self.save_load_fit_layout.addWidget(self.load_fit_info)
         self.save_load_fit_layout.addWidget(self.save_fit_info)
         self.save_load_fit.setLayout(self.save_load_fit_layout)
+        self.save_load_fit.setFlat(True)
 
         self.fit_range_table = QTableWidget(self)
         self.fit_range_table.setColumnCount(4)
@@ -592,6 +594,7 @@ def __init__(self, parent=None):
         sub_runs_select_layout.addWidget(self.lineEdit, 1, 0)
         sub_runs_select_layout.addWidget(example_label, 1, 1)
         self.sub_runs_select.setLayout(sub_runs_select_layout)
+        self.sub_runs_select.setFlat(True)
 
         self.fit_setup = QGroupBox()
         self.fit_setup.setTitle("Fitting Functions")
@@ -610,13 +613,23 @@ def __init__(self, parent=None):
         self.fit_setup_layout.addWidget(self.peak_back)
         self.fit_setup_layout.addWidget(self.fit_peaks)
         self.fit_setup.setLayout(self.fit_setup_layout)
+        self.fit_setup.setFlat(True)
 
-        self.export = QPushButton("Export Peak Information")
-        self.export.clicked.connect(self.save_CSV)
+        self.export_setup = QGroupBox()
+        self.export_setup_layout = QHBoxLayout()
+        self.export_peak_info = QPushButton("Export Peak Information")
+        self.export_peak_info.clicked.connect(self.save_peak_CSV)
+        self.export_pole_figs = QPushButton("Export Polefigures")
+        self.export_pole_figs.clicked.connect(self.save_pole_fig)
+
+        self.export_setup_layout.addWidget(self.export_peak_info)
+        self.export_setup_layout.addWidget(self.export_pole_figs)
+        self.export_setup.setLayout(self.export_setup_layout)
+        self.export_setup.setFlat(True)
 
         self.peak_setup_layout.addWidget(self.sub_runs_select)
         self.peak_setup_layout.addWidget(self.fit_setup)
-        self.peak_setup_layout.addWidget(self.export)
+        self.peak_setup_layout.addWidget(self.export_setup)
 
         self.peak_setup.setLayout(self.peak_setup_layout)
 
@@ -653,7 +666,7 @@ def update_peak_tabel_entry(self, x1):
 
         return
 
-    def save_CSV(self):
+    def save_peak_CSV(self):
         filename, _ = QFileDialog.getSaveFileName(self,
                                                   "Export Peak Information",
                                                   self._parent.model.get_default_csv_filename(),
@@ -663,10 +676,31 @@ def save_CSV(self):
 
         self._parent.controller.export_peak_data(filename, self._parent.fit_summary.fit_table_operator.fits)
 
+    def save_pole_fig(self):
+
+        peak_label_list = []
+        peaks_id_list = []
+        for peak_row in range(self.fit_range_table.rowCount()):
+            if (self.fit_range_table.item(peak_row, 0) is not None and
+                    self.fit_range_table.item(peak_row, 1) is not None):
+                peaks_id_list.append(peak_row + 1)
+                if self.fit_range_table.item(peak_row, 2) is None:
+                    peak_label_list.append('peak_{}'.format(peak_row + 1))
+                else:
+                    peak_label_list.append(self.fit_range_table.item(peak_row, 2).text())
+
+        output_folder = QFileDialog.getExistingDirectory(self,
+                                                         "Export Experimental Polefigure Information")
+
+        if not output_folder:
+            return
+
+        self._parent.controller.export_polar_projection(output_folder, peaks_id_list, peak_label_list)
+
     def save_json(self):
         filename, _ = QFileDialog.getSaveFileName(self,
                                                   "Export Peak Fit Information",
-                                                  self._parent.model.get_default_csv_filename(),
+                                                  self._parent.model.runnumber,
                                                   "JSON (*.json);;All Files (*)")
         if not filename:
             return
@@ -675,7 +709,7 @@ def save_json(self):
     def load_json(self):
         filename, _ = QFileDialog.getSaveFileName(self,
                                                   "Export Peak Fit Information",
-                                                  self._parent.model.get_default_csv_filename(),
+                                                  self._parent.model.runnumber,
                                                   "JSON (*.json);;All Files (*)")
         if not filename:
             return
@@ -891,7 +925,7 @@ def set_item(value='', fitting_worked=True):
             if np.isnan(_microstrain):
                 str_strain_value = "nan"
             else:
-                str_strain_value = str(np.int(_microstrain))
+                str_strain_value = str(np.int32(_microstrain))
             _item = set_item(value=str_strain_value, fitting_worked=_fitting_worked)
             self._parent.tableView_fitSummary.setItem(_row, _global_col_index, _item)
             _global_col_index += 1
@@ -902,7 +936,7 @@ def set_item(value='', fitting_worked=True):
             _global_col_index += 1
 
     def _get_d_spacing_to_display(self, peak_selected=1, peak_collection=None):
-        _d_reference = np.float(str(self._parent._parent.fit_setup.fit_range_table.item(peak_selected-1, 3).text()))
+        _d_reference = np.float32(str(self._parent._parent.fit_setup.fit_range_table.item(peak_selected-1, 3).text()))
 
         peak_collection.set_d_reference(values=_d_reference)
         values, error = peak_collection.get_dspacing_center()
@@ -1003,36 +1037,6 @@ def select_first_row(self):
         self._parent.tableView_fitSummary.setRangeSelected(selection_first_row, True)
 
 
-class CSVExport(QGroupBox):
-    def __init__(self, parent=None):
-        self._parent = parent
-        super().__init__(parent=parent)
-        self.setTitle("CSV Export")
-        layout = QHBoxLayout()
-        self.export = QPushButton("Export Grid Information")
-        self.export.clicked.connect(self.save_CSV)
-        self.detailed = QCheckBox("Detailed")
-        layout.addWidget(self.export)
-        layout.addWidget(self.detailed)
-        self.setLayout(layout)
-
-        self.setEnabled(False)
-
-    def setEnabled(self, enabled):
-        self.export.setEnabled(enabled)
-        self.detailed.setEnabled(enabled)
-
-    def save_CSV(self):
-        self._parent.calculate_stress()
-        filename, _ = QFileDialog.getSaveFileName(self,
-                                                  "Export Grid Information",
-                                                  self._parent.model.get_default_csv_filename(),
-                                                  "CSV (*.csv);;All Files (*)")
-        if not filename:
-            return
-        self._parent.controller.write_stress_to_csv(filename, self.detailed.isChecked())
-
-
 class TextureFittingViewer(QMainWindow):
     def __init__(self, fit_peak_model, fit_peak_ctrl, parent=None):