From e577396e8d881816e48fca37ce236bfde44eb87f Mon Sep 17 00:00:00 2001
From: Tom Perkins <thomas.perkins@stfc.ac.uk>
Date: Mon, 11 Jul 2016 14:08:28 +0100
Subject: [PATCH] Handle fitted workspaces after sequential fit
Process workspaces after a combined sequential fit over runs in which each
run involves a simultaneous fit over groups/periods. Results table should work
properly.
re #15518
---
.../Muon/MuonAnalysisFitDataPresenter.h | 6 +-
.../Muon/MuonSequentialFitDialog.h | 6 ++
.../src/Muon/MuonAnalysisFitDataPresenter.cpp | 35 +++++---
.../src/Muon/MuonSequentialFitDialog.cpp | 80 ++++++++++++++++---
4 files changed, 101 insertions(+), 26 deletions(-)
diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Muon/MuonAnalysisFitDataPresenter.h b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Muon/MuonAnalysisFitDataPresenter.h
index 6a69243cc3a..16c91c50494 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Muon/MuonAnalysisFitDataPresenter.h
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Muon/MuonAnalysisFitDataPresenter.h
@@ -86,9 +86,11 @@ public:
/// Create workspaces to fit
void createWorkspacesToFit(const std::vector<std::string> &names) const;
/// Rename fit workspaces, add logs and generate params table
- void handleFittedWorkspaces(const std::string &groupName) const;
+ void handleFittedWorkspaces(const std::string &baseName,
+ const std::string &groupName = "") const;
/// Extract workspaces from group and move up a level
- void extractFittedWorkspaces(const std::string &groupName) const;
+ void extractFittedWorkspaces(const std::string &baseName,
+ const std::string &groupName = "") const;
public slots:
/// Transforms fit results when a simultaneous fit finishes
diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Muon/MuonSequentialFitDialog.h b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Muon/MuonSequentialFitDialog.h
index 83dfd690ebb..55b2a439f21 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Muon/MuonSequentialFitDialog.h
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Muon/MuonSequentialFitDialog.h
@@ -77,6 +77,12 @@ private:
/// Helper function to create new item for Diagnosis table
QTableWidgetItem *createTableWidgetItem(const QString &text);
+ /// Reorganise workspaces after fit of one run finished
+ void finishAfterRun(const std::string &labelGroupName,
+ const Mantid::API::IAlgorithm_sptr &fitAlg,
+ bool simultaneous,
+ const Mantid::API::MatrixWorkspace_sptr &firstWS) const;
+
// -- MEMBER VARIABLES -----------------------------------------------
/// UI form
diff --git a/MantidQt/CustomInterfaces/src/Muon/MuonAnalysisFitDataPresenter.cpp b/MantidQt/CustomInterfaces/src/Muon/MuonAnalysisFitDataPresenter.cpp
index f044ba89943..96eed5a5de8 100644
--- a/MantidQt/CustomInterfaces/src/Muon/MuonAnalysisFitDataPresenter.cpp
+++ b/MantidQt/CustomInterfaces/src/Muon/MuonAnalysisFitDataPresenter.cpp
@@ -418,15 +418,17 @@ void MuonAnalysisFitDataPresenter::handleFitFinished(
/**
* Rename fitted workspaces so they can be linked to the input and found by the
* results table generation code. Add special logs and generate params table.
- * @param groupName :: [input] Name of group that workspaces belong to
+ * @param baseName :: [input] Base name for workspaces
+ * @param groupName :: [input] Name of group that workspaces belong to. Leave
+ * empty to be the same as baseName (usual case).
*/
void MuonAnalysisFitDataPresenter::handleFittedWorkspaces(
- const std::string &groupName) const {
+ const std::string &baseName, const std::string &groupName) const {
AnalysisDataServiceImpl &ads = AnalysisDataService::Instance();
const auto resultsGroup =
- ads.retrieveWS<WorkspaceGroup>(groupName + "_Workspaces");
+ ads.retrieveWS<WorkspaceGroup>( baseName + "_Workspaces");
const auto paramsTable =
- ads.retrieveWS<ITableWorkspace>(groupName + "_Parameters");
+ ads.retrieveWS<ITableWorkspace>(baseName + "_Parameters");
if (resultsGroup && paramsTable) {
const size_t offset = paramsTable->rowCount() - resultsGroup->size();
for (size_t i = 0; i < resultsGroup->size(); i++) {
@@ -438,7 +440,7 @@ void MuonAnalysisFitDataPresenter::handleFittedWorkspaces(
addSpecialLogs(oldName, wsDetails);
// Generate new name and rename workspace
std::ostringstream newName;
- newName << groupName << "_" << wsDetails.label << "_"
+ newName << baseName << "_" << wsDetails.label << "_"
<< wsDetails.itemName << "_" << wsDetails.periods;
ads.rename(oldName, newName.str() + "_Workspace");
// Generate new parameters table for this dataset
@@ -446,28 +448,37 @@ void MuonAnalysisFitDataPresenter::handleFittedWorkspaces(
if (fitTable) {
const std::string fitTableName = newName.str() + "_Parameters";
ads.add(fitTableName, fitTable);
- ads.addToGroup(groupName, fitTableName);
+ // If user has specified a group to add to, add to that.
+ // Otherwise the group is called the same thing as the base name.
+ const std::string groupToAddTo =
+ groupName.empty() ? baseName : groupName;
+ ads.addToGroup(groupToAddTo, fitTableName);
}
}
// Now that we have split parameters table, can delete it
- ads.remove(groupName + "_Parameters");
+ ads.remove(baseName + "_Parameters");
}
}
/**
* Moves all workspaces in group "groupName_Workspaces" up a level into
* "groupName"
- * @param groupName :: [input] Name of upper group e.g. "MuonSimulFit_Label"
+ * @param baseName :: [input] Base name for workspaces
+ * @param groupName :: [input] Name of upper group e.g. "MuonSimulFit_Label". If
+ * empty, use same as baseName.
*/
void MuonAnalysisFitDataPresenter::extractFittedWorkspaces(
- const std::string &groupName) const {
+ const std::string &baseName, const std::string &groupName) const {
AnalysisDataServiceImpl &ads = AnalysisDataService::Instance();
- const std::string resultsGroupName = groupName + "_Workspaces";
+ const std::string resultsGroupName = baseName + "_Workspaces";
const auto resultsGroup = ads.retrieveWS<WorkspaceGroup>(resultsGroupName);
- if (ads.doesExist(groupName) && resultsGroup) {
+ // If user has specified a group to add to, add to that.
+ // Otherwise the group is called the same thing as the base name.
+ const std::string groupToAddTo = groupName.empty() ? baseName : groupName;
+ if (ads.doesExist(groupToAddTo) && resultsGroup) {
for (const auto &name : resultsGroup->getNames()) {
ads.removeFromGroup(resultsGroupName, name);
- ads.addToGroup(groupName, name);
+ ads.addToGroup(groupToAddTo, name);
}
ads.remove(resultsGroupName); // should be empty now
}
diff --git a/MantidQt/CustomInterfaces/src/Muon/MuonSequentialFitDialog.cpp b/MantidQt/CustomInterfaces/src/Muon/MuonSequentialFitDialog.cpp
index fddf4fe7ecb..fddef594562 100644
--- a/MantidQt/CustomInterfaces/src/Muon/MuonSequentialFitDialog.cpp
+++ b/MantidQt/CustomInterfaces/src/Muon/MuonSequentialFitDialog.cpp
@@ -4,6 +4,8 @@
#include "MantidAPI/AlgorithmProxy.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/MatrixWorkspace.h"
+#include "MantidAPI/TableRow.h"
+#include "MantidAPI/WorkspaceGroup.h"
#include "MantidAPI/WorkspaceProperty.h"
#include "MantidGeometry/Instrument.h"
#include "MantidQtCustomInterfaces/Muon/MuonAnalysisFitDataPresenter.h"
@@ -471,22 +473,15 @@ void MuonSequentialFitDialog::continueFit() {
break;
}
+ // Copy log values and group created fit workspaces
+ finishAfterRun(labelGroupName, fit, datasetsPerRun > 1, matrixWS);
+
// If fit was simultaneous, transform results
if (datasetsPerRun > 1) {
- m_dataPresenter->handleFittedWorkspaces(wsBaseName);
- m_dataPresenter->extractFittedWorkspaces(wsBaseName);
+ m_dataPresenter->handleFittedWorkspaces(wsBaseName, labelGroupName);
+ m_dataPresenter->extractFittedWorkspaces(wsBaseName, labelGroupName);
}
- // Make sure created fit workspaces end up in the group
- // TODO: this really should use loop
- ads.addToGroup(labelGroupName, wsBaseName + "_NormalisedCovarianceMatrix");
- ads.addToGroup(labelGroupName, wsBaseName + "_Parameters");
- ads.addToGroup(labelGroupName, wsBaseName + "_Workspace");
-
- // Copy log values
- auto fitWs = ads.retrieveWS<MatrixWorkspace>(wsBaseName + "_Workspace");
- fitWs->copyExperimentInfoFrom(matrixWS.get());
-
// Add information about the fit to the diagnosis table
addDiagnosisEntry(runTitle, fit->getProperty("OutputChi2OverDof"),
functionToFit);
@@ -499,6 +494,67 @@ void MuonSequentialFitDialog::continueFit() {
setState(Stopped);
}
+/**
+ * Handle reorganising workspaces after fit of a single run has finished
+ * Group output together and copy log values
+ * @param labelGroupName :: [input] Label for group
+ * @param fitAlg :: [input] Pointer to fit algorithm
+ * @param simultaneous :: [input] Whether several groups/periods were fitted
+ * simultaneously or not
+ * @param firstWS :: [input] Pointer to first input workspace (to copy logs
+ * from)
+ */
+void MuonSequentialFitDialog::finishAfterRun(
+ const std::string &labelGroupName, const IAlgorithm_sptr &fitAlg,
+ bool simultaneous, const MatrixWorkspace_sptr &firstWS) const {
+ auto &ads = AnalysisDataService::Instance();
+ const std::string wsBaseName = fitAlg->getPropertyValue("Output");
+ if (simultaneous) {
+ // copy logs
+ auto fitWSGroup =
+ ads.retrieveWS<WorkspaceGroup>(wsBaseName + "_Workspaces");
+ for (size_t i = 0; i < fitWSGroup->size(); i++) {
+ auto fitWs =
+ boost::dynamic_pointer_cast<MatrixWorkspace>(fitWSGroup->getItem(i));
+ if (fitWs) {
+ fitWs->copyExperimentInfoFrom(firstWS.get());
+ }
+ }
+ // insert workspace names into table
+ try {
+ const std::string paramTableName =
+ fitAlg->getProperty("OutputParameters");
+ const auto paramTable = ads.retrieveWS<ITableWorkspace>(paramTableName);
+ if (paramTable) {
+ Mantid::API::TableRow f0Row = paramTable->appendRow();
+ f0Row << "f0=" + fitAlg->getPropertyValue("InputWorkspace") << 0.0
+ << 0.0;
+ for (size_t i = 1; i < fitWSGroup->size(); i++) {
+ const std::string suffix = boost::lexical_cast<std::string>(i);
+ const auto wsName =
+ fitAlg->getPropertyValue("InputWorkspace_" + suffix);
+ Mantid::API::TableRow row = paramTable->appendRow();
+ row << "f" + suffix + "=" + wsName << 0.0 << 0.0;
+ }
+ }
+ } catch (const Mantid::Kernel::Exception::NotFoundError &) {
+ // Not a fatal error, but shouldn't happen
+ g_log.warning(
+ "Could not find output parameters table for simultaneous fit");
+ }
+ // Group output together
+ ads.addToGroup(labelGroupName, wsBaseName + "_NormalisedCovarianceMatrix");
+ ads.addToGroup(labelGroupName, wsBaseName + "_Parameters");
+ ads.addToGroup(labelGroupName, wsBaseName + "_Workspaces");
+ } else {
+ ads.addToGroup(labelGroupName, wsBaseName + "_NormalisedCovarianceMatrix");
+ ads.addToGroup(labelGroupName, wsBaseName + "_Parameters");
+ ads.addToGroup(labelGroupName, wsBaseName + "_Workspace");
+ auto fitWs = ads.retrieveWS<MatrixWorkspace>(wsBaseName + "_Workspace");
+ fitWs->copyExperimentInfoFrom(firstWS.get());
+ }
+}
+
/**
* Stop fitting process.
*/
--
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