From 166b4d7d66a2bb680b0b4827dda46bb8105c4493 Mon Sep 17 00:00:00 2001
From: Wenduo Zhou <zhouw@ornl.gov>
Date: Thu, 5 Oct 2017 22:03:27 -0400
Subject: [PATCH] Refs #20796. Staring refactoring.
---
.../inc/MantidAlgorithms/FindPeakBackground.h | 42 ++++
.../Algorithms/src/FindPeakBackground.cpp | 182 +++++++++++++++---
2 files changed, 202 insertions(+), 22 deletions(-)
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/FindPeakBackground.h b/Framework/Algorithms/inc/MantidAlgorithms/FindPeakBackground.h
index 08ba5769e14..e318a2f0094 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/FindPeakBackground.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/FindPeakBackground.h
@@ -2,6 +2,7 @@
#define MANTID_ALGORITHMS_FindPeakBackground_H_
#include "MantidAPI/Algorithm.h"
+#include "MantidAPI/ITableWorkspace.h"
#include "MantidKernel/cow_ptr.h"
namespace Mantid {
@@ -36,6 +37,7 @@ namespace Algorithms {
File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
+
class DLLExport FindPeakBackground : public API::Algorithm {
public:
/// Algorithm's name for identification overriding a virtual method
@@ -48,9 +50,30 @@ public:
/// Algorithm's version for identification overriding a virtual method
int version() const override { return 1; }
+ /// process inputs
+ void processInputProperties();
+
/// Algorithm's category for identification overriding a virtual method
const std::string category() const override { return "Utility\\Calculation"; }
+ /// set histogram data to find background
+ // void setHistogram(HistogramData &histogram);
+
+ /// set sigma constant
+ void setSigma(const double &sigma);
+
+ /// set background order
+ void setBackgroundOrder(size_t order);
+
+ /// set fit window
+ void setFitWindow(const std::vector<double> &window);
+
+ /// find background (main algorithm)
+ void findPeakBackground();
+
+ /// get result
+ void getBackgroundResult();
+
private:
std::string m_backgroundType; //< The type of background to fit
@@ -65,6 +88,10 @@ private:
const size_t p_min, const size_t p_max,
const bool hasPeak, double &out_bg0, double &out_bg1,
double &out_bg2);
+
+ /// create output workspace
+ void createOutputWorkspaces();
+
struct cont_peak {
size_t start;
size_t stop;
@@ -75,6 +102,21 @@ private:
return a.maxY > b.maxY;
}
};
+
+ void findStartStopIndex(size_t &istart, size_t &istop);
+
+ // define parameters
+
+ /// histogram data to find peak background
+ // HistogramData::Histogram m_histogram;
+ /// fit window
+ std::vector<double> m_vecFitWindows;
+ /// background order: 0 for flat, 1 for linear, 2 for quadratic
+ size_t m_backgroundOrder;
+ /// constant sigma
+ double m_sigmaConstant;
+ /// output workspace (table of result)
+ API::ITableWorkspace_sptr m_outPeakTableWS;
};
} // namespace Algorithms
diff --git a/Framework/Algorithms/src/FindPeakBackground.cpp b/Framework/Algorithms/src/FindPeakBackground.cpp
index 62918b1dfca..324ab449287 100644
--- a/Framework/Algorithms/src/FindPeakBackground.cpp
+++ b/Framework/Algorithms/src/FindPeakBackground.cpp
@@ -65,16 +65,10 @@ void FindPeakBackground::init() {
}
//----------------------------------------------------------------------------------------------
-/** Execute body
- */
-void FindPeakBackground::exec() {
- // Get input and validate
+void FindPeakBackground::processInputProperties() {
+ // process input workspace and workspace index
MatrixWorkspace_const_sptr inpWS = getProperty("InputWorkspace");
int inpwsindex = getProperty("WorkspaceIndex");
- std::vector<double> m_vecFitWindows = getProperty("FitWindow");
- m_backgroundType = getPropertyValue("BackgroundType");
- double k = getProperty("SigmaConstant");
-
if (isEmpty(inpwsindex)) {
// Default
if (inpWS->getNumberHistograms() == 1) {
@@ -91,10 +85,94 @@ void FindPeakBackground::exec() {
throw runtime_error(errss.str());
}
+ setHistogram(inputWS->histogram(wi));
+
+ std::vector<double> fitwindow = getProperty("FitWindow");
+ setFitWindow(fitwindow);
+
+ // background
+ m_backgroundType = getPropertyValue("BackgroundType");
+ size_t bkgdorder = 0;
+ if (m_backgroundType.compare("Linear") == 0)
+ bkgdorder = 1;
+ else if (m_backgroundType.compare("Quadratic") == 0)
+ bkgdorder = 2;
+ setBackgroundOrder(bkgdorder);
+
+ // sigma constant
+ double k = getProperty("SigmaConstant");
+ setSigma(k);
+}
+
+/// set histogram data to find background
+void FindPeakBackground::setHistogram(HistogramData &histogram) {
+ m_histogram = histogram;
+}
+
+/// set sigma constant
+void FindPeakBackground::setSigma(const double &sigma) {
+ m_sigmaConstant = sigma;
+}
+
+/// set background order
+void FindPeakBackground::setBackgroundOrder(size_t order) {
+ m_backgroundOrder = order;
+}
+
+//----------------------------------------------------------------------------------------------
+/** find background (main algorithm)
+ * @brief FindPeakBackground::findPeakBackground
+ */
+void FindPeakBackground::findPeakBackground() {}
+
+/// get result
+void getBackgroundResult();
+
+//----------------------------------------------------------------------------------------------
+/** set fit window
+ * @brief FindPeakBackground::setFitWindow
+ * @param fitwindow
+ */
+void FindPeakBackground::setFitWindow(const std::vector<double> &fitwindow) {
+ // validate input
+ if (m_vecFitWindows.size() != 2 || m_vecFitWindows[0] >= m_vecFitWindows[1])
+ throw std::invalid_argument("Fit window has either wrong item number or "
+ "window value is not in ascending order.");
+
+ // m_vecFitWindows.resize(2);
+ // copy the input to class variable
+ m_vecFitWindows = fitwindow;
+
+ return;
+}
+
+//----------------------------------------------------------------------------------------------
+/**
+ * @brief FindPeakBackground::createOutputWorkspaces
+ */
+void FindPeakBackground::createOutputWorkspaces() {
+ // Set up output table workspace
+ m_outPeakTableWS = WorkspaceFactory::Instance().createTable("TableWorkspace");
+ m_outPeakTableWS->addColumn("int", "wksp_index");
+ m_outPeakTableWS->addColumn("int", "peak_min_index");
+ m_outPeakTableWS->addColumn("int", "peak_max_index");
+ m_outPeakTableWS->addColumn("double", "bkg0");
+ m_outPeakTableWS->addColumn("double", "bkg1");
+ m_outPeakTableWS->addColumn("double", "bkg2");
+ m_outPeakTableWS->addColumn("int", "GoodFit");
+
+ m_outPeakTableWS->appendRow();
+}
+
+void FindPeakBackground::findStartStopIndex(size_t &istart, size_t &istop) {
// Generate output
- auto &inpX = inpWS->x(inpwsindex);
- size_t sizex = inpWS->x(inpwsindex).size();
- size_t sizey = inpWS->y(inpwsindex).size();
+ // auto &inpX = inpWS->x(inpwsindex);
+ auto inpX = m_histogram.x();
+ auto inpY = m_histogram.y();
+ size_t sizex = inpX.size();
+ size_t sizey = inpY.size();
+
+ // initial value of start and stop x index
size_t n = sizey;
size_t l0 = 0;
@@ -106,18 +184,72 @@ void FindPeakBackground::exec() {
n++;
}
- // Set up output table workspace
- API::ITableWorkspace_sptr m_outPeakTableWS =
- WorkspaceFactory::Instance().createTable("TableWorkspace");
- m_outPeakTableWS->addColumn("int", "wksp_index");
- m_outPeakTableWS->addColumn("int", "peak_min_index");
- m_outPeakTableWS->addColumn("int", "peak_max_index");
- m_outPeakTableWS->addColumn("double", "bkg0");
- m_outPeakTableWS->addColumn("double", "bkg1");
- m_outPeakTableWS->addColumn("double", "bkg2");
- m_outPeakTableWS->addColumn("int", "GoodFit");
+ istart = l0;
+ istop = n;
+}
- m_outPeakTableWS->appendRow();
+//----------------------------------------------------------------------------------------------
+/** Execute body
+ */
+void FindPeakBackground::exec() {
+ // get input and validate
+ processInputProperties();
+ // Get input and validate
+ // MatrixWorkspace_const_sptr inpWS = getProperty("InputWorkspace");
+ // int inpwsindex = getProperty("WorkspaceIndex");
+ // std::vector<double> m_vecFitWindows = getProperty("FitWindow");
+ // m_backgroundType = getPropertyValue("BackgroundType");
+ // double k = getProperty("SigmaConstant");
+
+ // if (isEmpty(inpwsindex)) {
+ // // Default
+ // if (inpWS->getNumberHistograms() == 1) {
+ // inpwsindex = 0;
+ // } else {
+ // throw runtime_error("WorkspaceIndex must be given. ");
+ // }
+ // } else if (inpwsindex < 0 ||
+ // inpwsindex >= static_cast<int>(inpWS->getNumberHistograms())) {
+ // stringstream errss;
+ // errss << "Input workspace " << inpWS->getName() << " has "
+ // << inpWS->getNumberHistograms() << " spectra. Input workspace
+ // index "
+ // << inpwsindex << " is out of boundary. ";
+ // throw runtime_error(errss.str());
+ // }
+
+ // // Generate output
+ // auto &inpX = inpWS->x(inpwsindex);
+ // size_t sizex = inpWS->x(inpwsindex).size();
+ // size_t sizey = inpWS->y(inpwsindex).size();
+ // size_t n = sizey;
+ // size_t l0 = 0;
+
+ // if (m_vecFitWindows.size() > 1) {
+ // Mantid::Algorithms::FindPeaks fp;
+ // l0 = fp.getIndex(inpX, m_vecFitWindows[0]);
+ // n = fp.getIndex(inpX, m_vecFitWindows[1]);
+ // if (n < sizey)
+ // n++;
+ // }
+
+ createOutputWorkspaces();
+
+ size_t istart, istop;
+ findStartStopIndex(istart, istop);
+
+ // // Set up output table workspace
+ // API::ITableWorkspace_sptr m_outPeakTableWS =
+ // WorkspaceFactory::Instance().createTable("TableWorkspace");
+ // m_outPeakTableWS->addColumn("int", "wksp_index");
+ // m_outPeakTableWS->addColumn("int", "peak_min_index");
+ // m_outPeakTableWS->addColumn("int", "peak_max_index");
+ // m_outPeakTableWS->addColumn("double", "bkg0");
+ // m_outPeakTableWS->addColumn("double", "bkg1");
+ // m_outPeakTableWS->addColumn("double", "bkg2");
+ // m_outPeakTableWS->addColumn("int", "GoodFit");
+
+ // m_outPeakTableWS->appendRow();
// 3. Get Y values
Progress prog(this, 0.0, 1.0, 1);
@@ -130,6 +262,12 @@ void FindPeakBackground::exec() {
MantidVec maskedY;
auto in = std::min_element(inpY.cbegin(), inpY.cend());
double bkg0 = inpY[in - inpY.begin()];
+
+ // WZ:
+ size_t l0 = istart;
+ size_t n = istop;
+ // -----
+
for (size_t l = l0; l < n; ++l) {
maskedY.push_back(inpY[l] - bkg0);
}
--
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