def _create_matrix_workspaces_for_parameter_combination(
self, workspace_group: WorkspaceGroup, x_parameter_name: str,
y_parameter_name: str) -> None:
"""Creates the matrix workspace for a specific x and y parameter, and adds it to the workspace group."""
if x_parameter_name != y_parameter_name and x_parameter_name in self.x_parameters() \
and y_parameter_name in self.y_parameters():
x_values = self._convert_str_column_values_to_int(
self.fitting_context.x_parameters[x_parameter_name])
x_errors = self.fitting_context.x_parameter_errors[
x_parameter_name]
y_values = self._convert_str_column_values_to_int(
self.fitting_context.y_parameters[y_parameter_name])
y_errors = self.fitting_context.y_parameter_errors[
y_parameter_name]
# Sort the data based on the x_values being in ascending order
x_values, x_errors, y_values, y_errors = zip(
*sorted(zip(x_values, x_errors, y_values, y_errors)))
output_name = self.parameter_combination_workspace_name(
x_parameter_name, y_parameter_name)
if not self._parameter_combination_workspace_exists(
output_name, x_values, y_values, y_errors):
self._create_workspace(x_values, x_errors, x_parameter_name,
y_values, y_errors, y_parameter_name,
output_name)
workspace_group.add(output_name)
def _create_matrix_workspaces_for_parameter_combinations(
self, workspace_group: WorkspaceGroup) -> list:
"""Creates a MatrixWorkspace for each parameter combination. These are the workspaces that will be fitted."""
workspace_names = []
for x_parameter_name in self.x_parameters():
for y_parameter_name in self.y_parameters():
if x_parameter_name != y_parameter_name:
x_values = self._convert_str_column_values_to_int(
x_parameter_name, self.fitting_context.x_parameters)
x_errors = self.fitting_context.x_parameter_errors[
x_parameter_name]
y_values = self._convert_str_column_values_to_int(
y_parameter_name, self.fitting_context.y_parameters)
y_errors = self.fitting_context.y_parameter_errors[
y_parameter_name]
# Sort the data based on the x_values being in ascending order
x_values, x_errors, y_values, y_errors = zip(
*sorted(zip(x_values, x_errors, y_values, y_errors)))
output_name = self.parameter_combination_workspace_name(
x_parameter_name, y_parameter_name)
if not self._parameter_combination_workspace_exists(
output_name, x_values, y_values, y_errors):
self._create_workspace(
x_values, x_errors, x_parameter_name, y_values,
y_errors, self._create_y_label(y_parameter_name),
output_name)
workspace_group.add(output_name)
workspace_names.append(output_name)
return workspace_names
def test_that_can_add_workspaces_to_WorkspaceGroup_when_in_ADS(self):
self.create_matrix_workspace_in_ADS("ws1")
self.create_matrix_workspace_in_ADS("ws2")
ws_group = WorkspaceGroup()
mtd.add("group1", ws_group)
ws_group.add("ws1")
ws_group.add("ws2")
self.assertTrue("ws1" in mtd["group1"])
self.assertTrue("ws2" in mtd["group1"])
def test_that_can_add_workspaces_to_WorkspaceGroup_when_in_ADS(self):
self.create_matrix_workspace_in_ADS("ws1")
self.create_matrix_workspace_in_ADS("ws2")
ws_group = WorkspaceGroup()
mtd.add("group1", ws_group)
ws_group.add("ws1")
ws_group.add("ws2")
self.assertTrue("ws1" in mtd["group1"])
self.assertTrue("ws2" in mtd["group1"])
def add_copy_to_ads(self) -> None:
"""Adds the output workspaces for this fit to the ADS. Must be a copy so the fit history remains a history."""
workspace_group = WorkspaceGroup()
add_ws_to_ads(self.output_group_name(), workspace_group)
for output_workspace in self.output_workspaces:
add_ws_to_ads(output_workspace.workspace_name,
output_workspace.workspace_copy())
workspace_group.add(output_workspace.workspace_name)
add_ws_to_ads(self.parameter_workspace.workspace_name,
self.parameter_workspace.workspace_copy())
workspace_group.add(self.parameter_workspace.workspace_name)
add_ws_to_ads(self.covariance_workspace.workspace_name,
self.covariance_workspace.workspace_copy())
workspace_group.add(self.covariance_workspace.workspace_name)