From ada53e3a4aada45a4d8629167889c5b17c2581da Mon Sep 17 00:00:00 2001
From: Samuel Jackson <samueljackson@outlook.com>
Date: Wed, 11 Jul 2018 11:45:29 +0100
Subject: [PATCH] Add support for setting peak properties via the python API
This enables the use of the setCell method for peaks workspaces.
---
.../api/src/Exports/IPeaksWorkspace.cpp | 170 +++++++++++++++++-
1 file changed, 165 insertions(+), 5 deletions(-)
diff --git a/Framework/PythonInterface/mantid/api/src/Exports/IPeaksWorkspace.cpp b/Framework/PythonInterface/mantid/api/src/Exports/IPeaksWorkspace.cpp
index b62e9d19116..f18962637f0 100644
--- a/Framework/PythonInterface/mantid/api/src/Exports/IPeaksWorkspace.cpp
+++ b/Framework/PythonInterface/mantid/api/src/Exports/IPeaksWorkspace.cpp
@@ -1,18 +1,21 @@
#include "MantidAPI/IPeaksWorkspace.h"
#include "MantidAPI/Run.h"
#include "MantidGeometry/Crystal/IPeak.h"
-#include "MantidPythonInterface/kernel/GetPointer.h"
#include "MantidPythonInterface/kernel/Converters/PyObjectToV3D.h"
+#include "MantidPythonInterface/kernel/GetPointer.h"
#include "MantidPythonInterface/kernel/Registry/RegisterWorkspacePtrToPython.h"
-#include <boost/python/class.hpp>
-#include <boost/python/return_internal_reference.hpp>
+#include <boost/none.hpp>
#include <boost/optional.hpp>
+#include <boost/python/class.hpp>
#include <boost/python/manage_new_object.hpp>
+#include <boost/python/return_internal_reference.hpp>
+using namespace boost::python;
using namespace Mantid::Geometry;
using namespace Mantid::API;
+using Mantid::API::Column_sptr;
+using Mantid::Kernel::V3D;
using Mantid::PythonInterface::Registry::RegisterWorkspacePtrToPython;
-using namespace boost::python;
GET_POINTER_SPECIALIZATION(IPeaksWorkspace)
@@ -39,6 +42,158 @@ IPeak *createPeakQLabWithDistance(IPeaksWorkspace &self, const object &data,
}
/// Create a peak via it's QLab value from a list or numpy array
void addPeak(IPeaksWorkspace &self, const IPeak &peak) { self.addPeak(peak); }
+
+/**
+ * PeakWorkspaceTableAdaptor
+ *
+ * A class to map PeaksWorkspace column names to IPeak setter functions. This
+ * will handle the unmarshalling of the bpl::object type before passing it to
+ * the appropriate setter method.
+ */
+class PeakWorkspaceTableAdaptor {
+public:
+ /**
+ * Create a PeakWorkspaceTableAdaptor
+ *
+ * @param peaksWorkspace reference to a peaks workspace to convert values for.
+ */
+ explicit PeakWorkspaceTableAdaptor(IPeaksWorkspace &peaksWorkspace)
+ : m_peaksWorkspace(peaksWorkspace) {
+ // Create a map of string -> setter functions
+ // Each function will extract the given value from the passed python type.
+ m_setterMap = {{"RunNumber", setterFunction(&IPeak::setRunNumber)},
+ {"DetID", setterFunction(&IPeak::setDetectorID)},
+ {"h", setterFunction(&IPeak::setH)},
+ {"k", setterFunction(&IPeak::setK)},
+ {"l", setterFunction(&IPeak::setL)},
+ {"Wavelength", setterFunction(&IPeak::setWavelength)},
+ {"Intens", setterFunction(&IPeak::setIntensity)},
+ {"SigInt", setterFunction(&IPeak::setSigmaIntensity)},
+ {"BinCount", setterFunction(&IPeak::setBinCount)},
+ {"PeakNumber", setterFunction(&IPeak::setPeakNumber)},
+ {"QLab", setterFunction(&IPeak::setQLabFrame)},
+ {"QSample", setterFunction(&IPeak::setQSampleFrame)}};
+ }
+
+ /**
+ * Set the value of a PeaksWorkspace at the given column name and row index.
+ *
+ * @param columnName name of the column to set a value for.
+ * @param rowIndex index of the peak to set the value for.
+ * @param value value to set the property to.
+ */
+ void setProperty(const std::string &columnName, const int rowIndex,
+ object value) {
+ auto &peak = m_peaksWorkspace.getPeak(rowIndex);
+ if (m_setterMap.find(columnName) == m_setterMap.end()) {
+ throw std::runtime_error(columnName +
+ " is a read only column of a peaks workspace");
+ }
+ m_setterMap[columnName](peak, value);
+ }
+
+private:
+ // type alias for the member function to wrap
+ template <typename T> using MemberFunc = void (IPeak::*)(T value);
+ // special type alias for V3D functions that take an addtional parameter
+ using MemberFuncV3D = void (IPeak::*)(const V3D &value,
+ boost::optional<double>);
+ // type alias for the setter function
+ using SetterType = std::function<void(IPeak &peak, const object)>;
+
+ /**
+ * Wrap a setter function on a IPeak with the bpl::extract function.
+ *
+ * @param func A pointer to a member function to wrap.
+ * @return a setter function wrapped with the bpl::extract function for the
+ * setter's value type
+ */
+ template <typename T> SetterType setterFunction(MemberFunc<T> func) {
+ return [func](IPeak &peak, const object value) {
+ extract<T> extractor{value};
+ if (!extractor.check()) {
+ throw std::runtime_error(
+ "Cannot set value. Value was not of the expected type!");
+ }
+ (peak.*func)(extractor());
+ };
+ }
+
+ /**
+ * Wrap a setter function on a IPeak with the bpl::extract function.
+ *
+ * This is a specilization of the templated function to handle the
+ * 2 parameter signature of V3D setter functions.
+ *
+ * @param func A pointer to a member function to wrap.
+ * @return a setter function wrapped with the bpl::extract function for the
+ * setter's value type
+ */
+ SetterType setterFunction(MemberFuncV3D func) {
+ return [func](IPeak &peak, const object value) {
+ extract<const V3D &> extractor{value};
+ if (!extractor.check()) {
+ throw std::runtime_error(
+ "Cannot set value. Value was not of the expected type!");
+ }
+ (peak.*func)(extractor(), boost::none);
+ };
+ }
+
+ // The PeaksWorkspace we need to map value to.
+ IPeaksWorkspace &m_peaksWorkspace;
+ // Map of string value to setter functions.
+ std::unordered_map<std::string, SetterType> m_setterMap;
+};
+
+/**
+ * Get the row index and column name from python types.
+ *
+ * @param self A reference to the PeaksWorkspace python object that we were
+ * called on
+ * @param col_or_row A python object containing either a row index or a column
+ * name
+ * @param row_or_col An integer giving the row if value is a string or the
+ * column if value is an index
+ */
+std::pair<int, std::string> getRowAndColumnName(IPeaksWorkspace &self,
+ const object &col_or_row,
+ const int row_or_col) {
+ extract<std::string> columnNameExtractor{col_or_row};
+ std::string columnName;
+ int rowIndex;
+
+ if (columnNameExtractor.check()) {
+ columnName = columnNameExtractor();
+ rowIndex = row_or_col;
+ } else {
+ rowIndex = extract<int>(col_or_row)();
+ const auto colIndex = row_or_col;
+ const auto columnNames = self.getColumnNames();
+ columnName = columnNames.at(colIndex);
+ }
+
+ return std::make_pair(rowIndex, columnName);
+}
+
+/**
+ * Sets the value of the given cell
+ * @param self A reference to the PeaksWorkspace python object that we were
+ * called on
+ * @param value A python object containing either a row index or a column name
+ * @param row_or_col An integer giving the row if value is a string or the
+ * column if value is an index
+ */
+void setCell(IPeaksWorkspace &self, const object &col_or_row,
+ const int row_or_col, const object &value) {
+ std::string columnName;
+ int rowIndex;
+ std::tie(rowIndex, columnName) =
+ getRowAndColumnName(self, col_or_row, row_or_col);
+
+ PeakWorkspaceTableAdaptor tableMap{self};
+ tableMap.setProperty(columnName, rowIndex, value);
+}
}
void export_IPeaksWorkspace() {
@@ -72,7 +227,12 @@ void export_IPeaksWorkspace() {
"Return the Run object for this workspace")
.def("peakInfoNumber", &IPeaksWorkspace::peakInfoNumber,
(arg("self"), arg("qlab_frame"), arg("lab_coordinate")),
- "Peak info number at Q vector for this workspace");
+ "Peak info number at Q vector for this workspace")
+ .def("setCell", &setCell, (arg("self"), arg("row_or_column"),
+ arg("column_or_row"), arg("value")),
+ "Sets the value of a given cell. If the row_or_column argument is a "
+ "number then it is interpreted as a row otherwise it "
+ "is interpreted as a column name.");
//-------------------------------------------------------------------------------------------------
--
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