From cb76c462fb2b5344c9019b139d484e419e8fa743 Mon Sep 17 00:00:00 2001
From: Moore <lamar.moore@stfc.ac.uk>
Date: Thu, 21 Jul 2016 15:20:16 +0100
Subject: [PATCH] review improvements re #16882
---
Framework/Algorithms/src/ConvertUnits.cpp | 6 +-
.../src/ConvertUnitsUsingDetectorTable.cpp | 6 +-
Framework/Algorithms/src/FFTSmooth.cpp | 27 +-
Framework/Algorithms/src/FFTSmooth2.cpp | 21 +-
Framework/Algorithms/src/FilterEvents.cpp | 3 +-
.../Algorithms/src/FindPeakBackground.cpp | 2 +-
Framework/Algorithms/src/FindPeaks.cpp | 2 +-
Framework/Algorithms/src/FitPeak.cpp | 4 +-
.../Algorithms/test/FindPeakBackgroundTest.h | 36 +--
Framework/Algorithms/test/FindPeaksTest.h | 89 +++---
Framework/Algorithms/test/FitPeakTest.h | 301 ++++++------------
11 files changed, 187 insertions(+), 310 deletions(-)
diff --git a/Framework/Algorithms/src/ConvertUnits.cpp b/Framework/Algorithms/src/ConvertUnits.cpp
index c3bd4fe93f8..5c1e9236536 100644
--- a/Framework/Algorithms/src/ConvertUnits.cpp
+++ b/Framework/Algorithms/src/ConvertUnits.cpp
@@ -682,8 +682,10 @@ API::MatrixWorkspace_sptr ConvertUnits::removeUnphysicalBins(
result->mutableX(j).assign(edges.cbegin(), edges.cbegin() + k);
// If the entire X range is not covered, generate fake values.
- std::iota(result->mutableX(j).begin() + k, result->mutableX(j).end(),
- workspace->x(j)[k] + 1);
+ if (k < maxBins) {
+ std::iota(result->mutableX(j).begin() + k, result->mutableX(j).end(),
+ workspace->x(j)[k] + 1);
+ }
result->mutableY(j)
.assign(workspace->y(j).cbegin(), workspace->y(j).cbegin() + (k - 1));
diff --git a/Framework/Algorithms/src/ConvertUnitsUsingDetectorTable.cpp b/Framework/Algorithms/src/ConvertUnitsUsingDetectorTable.cpp
index 86bae193404..662a4ee511c 100644
--- a/Framework/Algorithms/src/ConvertUnitsUsingDetectorTable.cpp
+++ b/Framework/Algorithms/src/ConvertUnitsUsingDetectorTable.cpp
@@ -649,8 +649,10 @@ API::MatrixWorkspace_sptr ConvertUnitsUsingDetectorTable::removeUnphysicalBins(
result->mutableX(j).assign(edges.cbegin(), edges.cbegin() + k);
// If the entire X range is not covered, generate fake values.
- std::iota(result->mutableX(j).begin() + k, result->mutableX(j).end(),
- workspace->x(j)[k] + 1);
+ if (k < maxBins) {
+ std::iota(result->mutableX(j).begin() + k, result->mutableX(j).end(),
+ workspace->x(j)[k] + 1);
+ }
result->mutableY(j)
.assign(workspace->y(j).cbegin(), workspace->y(j).cbegin() + (k - 1));
diff --git a/Framework/Algorithms/src/FFTSmooth.cpp b/Framework/Algorithms/src/FFTSmooth.cpp
index d91c916dac3..62206be0f57 100644
--- a/Framework/Algorithms/src/FFTSmooth.cpp
+++ b/Framework/Algorithms/src/FFTSmooth.cpp
@@ -57,12 +57,16 @@ void FFTSmooth::exec() {
double dx = (m_inWS->x(spec).back() - m_inWS->x(spec).front()) /
static_cast<double>(m_inWS->x(spec).size() - 1);
+
+ auto &symX = symmWS->mutableX(0);
+ auto &symY = symmWS->mutableY(0);
+
for (int i = 0; i < dn; i++) {
- symmWS->mutableX(0)[dn + i] = m_inWS->x(spec)[i];
- symmWS->mutableY(0)[dn + i] = m_inWS->y(spec)[i];
+ symX[dn + i] = m_inWS->x(spec)[i];
+ symY[dn + i] = m_inWS->y(spec)[i];
- symmWS->mutableX(0)[dn - i] = x0 - dx * i;
- symmWS->mutableY(0)[dn - i] = m_inWS->y(spec)[i];
+ symX[dn - i] = x0 - dx * i;
+ symY[dn - i] = m_inWS->y(spec)[i];
}
symmWS->mutableY(0).front() = m_inWS->y(spec).back();
symmWS->mutableX(0).front() = x0 - dx * dn;
@@ -171,17 +175,10 @@ void FFTSmooth::zero(int n) {
m_filteredWS =
API::WorkspaceFactory::Instance().create(m_unfilteredWS, 2, mx, my);
- m_filteredWS->setSharedX(0, m_unfilteredWS->sharedX(0));
- m_filteredWS->setSharedX(1, m_unfilteredWS->sharedX(0));
-
- m_filteredWS->mutableY(0).assign(m_unfilteredWS->y(0).size(), 0);
- m_filteredWS->mutableY(1).assign(m_unfilteredWS->y(0).size(), 0);
-
- std::copy(m_unfilteredWS->y(0).cbegin(), m_unfilteredWS->y(0).begin() + ny,
- m_filteredWS->mutableY(0).begin());
-
- std::copy(m_unfilteredWS->y(1).cbegin(), m_unfilteredWS->y(1).begin() + ny,
- m_filteredWS->mutableY(1).begin());
+ m_filteredWS->mutableY(0).assign(m_unfilteredWS->y(0).cbegin(),
+ m_unfilteredWS->y(0).cbegin() + ny);
+ m_filteredWS->mutableY(1).assign(m_unfilteredWS->y(1).cbegin(),
+ m_unfilteredWS->y(1).cbegin() + ny);
}
} // namespace Algorithm
diff --git a/Framework/Algorithms/src/FFTSmooth2.cpp b/Framework/Algorithms/src/FFTSmooth2.cpp
index aac161459e2..f81cc05c025 100644
--- a/Framework/Algorithms/src/FFTSmooth2.cpp
+++ b/Framework/Algorithms/src/FFTSmooth2.cpp
@@ -90,13 +90,16 @@ void FFTSmooth2::exec() {
progress.report();
- for (int i = 0; i < dn; i++) {
- symmWS->mutableX(0)[dn + i] = inWS->x(spec)[i];
- symmWS->mutableY(0)[dn + i] = inWS->y(spec)[i];
+ auto &symX = symmWS->mutableX(0);
+ auto &symY = symmWS->mutableY(0);
- symmWS->mutableX(0)[dn - i] = x0 - dx * i;
- symmWS->mutableY(0)[dn - i] = inWS->y(spec)[i];
- }
+ for (int i = 0; i < dn; i++) {
+ symX[dn + i] = inWS->x(spec)[i];
+ symY[dn + i] = inWS->y(spec)[i];
+
+ symX[dn - i] = x0 - dx * i;
+ symY[dn - i] = inWS->y(spec)[i];
+ }
symmWS->mutableY(0).front() = inWS->y(spec).back();
symmWS->mutableX(0).front() = x0 - dx * dn;
if (inWS->isHistogramData())
@@ -218,9 +221,6 @@ void FFTSmooth2::zero(int n, API::MatrixWorkspace_sptr &unfilteredWS,
filteredWS->setSharedX(0, unfilteredWS->sharedX(0));
filteredWS->setSharedX(1, unfilteredWS->sharedX(0));
- filteredWS->mutableY(0).assign(unfilteredWS->y(0).size(), 0);
- filteredWS->mutableY(1).assign(unfilteredWS->y(0).size(), 0);
-
std::copy(unfilteredWS->y(0).cbegin(), unfilteredWS->y(0).begin() + ny,
filteredWS->mutableY(0).begin());
@@ -262,9 +262,6 @@ void FFTSmooth2::Butterworth(int n, int order,
auto &Y0 = filteredWS->mutableY(0);
auto &Y1 = filteredWS->mutableY(1);
- Y0.assign(uY0.size(), 0);
- Y1.assign(uY0.size(), 0);
-
double cutoff = ny;
for (int i = 0; i < my; i++) {
diff --git a/Framework/Algorithms/src/FilterEvents.cpp b/Framework/Algorithms/src/FilterEvents.cpp
index 4f8590b8605..cb215e080cc 100644
--- a/Framework/Algorithms/src/FilterEvents.cpp
+++ b/Framework/Algorithms/src/FilterEvents.cpp
@@ -447,11 +447,10 @@ void FilterEvents::processMatrixSplitterWorkspace() {
// Check input workspace validity
assert(m_matrixSplitterWS);
- auto &X = m_matrixSplitterWS->x(0);
+ auto X = m_matrixSplitterWS->binEdges(0);
auto &Y = m_matrixSplitterWS->y(0);
size_t sizex = X.size();
size_t sizey = Y.size();
- assert(sizex - sizey == 1);
// Assign vectors for time comparison
m_vecSplitterTime.assign(X.size(), 0);
diff --git a/Framework/Algorithms/src/FindPeakBackground.cpp b/Framework/Algorithms/src/FindPeakBackground.cpp
index 5c6a28cadb9..baa9eae793b 100644
--- a/Framework/Algorithms/src/FindPeakBackground.cpp
+++ b/Framework/Algorithms/src/FindPeakBackground.cpp
@@ -94,7 +94,7 @@ void FindPeakBackground::exec() {
// Generate output
auto &inpX = inpWS->x(inpwsindex);
size_t sizex = inpWS->x(inpwsindex).size();
- size_t sizey = inpWS->x(inpwsindex).size();
+ size_t sizey = inpWS->y(inpwsindex).size();
size_t n = sizey;
size_t l0 = 0;
diff --git a/Framework/Algorithms/src/FindPeaks.cpp b/Framework/Algorithms/src/FindPeaks.cpp
index 373ed835952..500ee0f25ce 100644
--- a/Framework/Algorithms/src/FindPeaks.cpp
+++ b/Framework/Algorithms/src/FindPeaks.cpp
@@ -700,7 +700,7 @@ void FindPeaks::calculateStandardDeviation(
const size_t numHists = smoothed->getNumberHistograms();
for (size_t i = 0; i < size_t(numHists); ++i) {
- smoothed->mutableE(i).assign(input->e(i).cbegin(), input->e(i).cend());
+ smoothed->setSharedE(i, input->sharedE(i));
std::transform(smoothed->e(i).cbegin(), smoothed->e(i).cend(),
smoothed->mutableE(i).begin(),
std::bind2nd(std::multiplies<double>(), constant));
diff --git a/Framework/Algorithms/src/FitPeak.cpp b/Framework/Algorithms/src/FitPeak.cpp
index 5b4461d925f..f28a19783e1 100644
--- a/Framework/Algorithms/src/FitPeak.cpp
+++ b/Framework/Algorithms/src/FitPeak.cpp
@@ -427,7 +427,7 @@ void FitOneSinglePeak::removeBackground(MatrixWorkspace_sptr purePeakWS) {
std::transform(purePeakWS->y(0).cbegin(), purePeakWS->y(0).cend(),
purePeakWS->mutableY(0).begin(), [=](const double &y) mutable {
double newY = y - bkgdvalues[i++];
- return newY > 0. ? newY : 0.;
+ return std::max(0.0, newY);
});
}
@@ -1513,7 +1513,7 @@ void FitPeak::setupOutput(
compfunc->function(domain, values);
const auto domainVec = domain.toVector();
- outws->mutableX(0).assign(domainVec.cbegin(), domainVec.cbegin() + sizex);
+ outws->mutableX(0).assign(domainVec.cbegin(), domainVec.cend());
outws->setSharedX(1, outws->sharedX(0));
outws->setSharedX(2, outws->sharedX(0));
diff --git a/Framework/Algorithms/test/FindPeakBackgroundTest.h b/Framework/Algorithms/test/FindPeakBackgroundTest.h
index 99bfbf488e0..f6cd5eac0cd 100644
--- a/Framework/Algorithms/test/FindPeakBackgroundTest.h
+++ b/Framework/Algorithms/test/FindPeakBackgroundTest.h
@@ -16,6 +16,8 @@ using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::Kernel;
using namespace Mantid::DataObjects;
+using HistogramData::Points;
+using HistogramData::Counts;
using namespace std;
@@ -71,17 +73,15 @@ public:
const size_t size = 20;
- std::array<double, size> data = {{1, 2, 1, 1, 9, 11, 13, 20, 24, 32, 28, 48,
- 42, 77, 67, 33, 27, 20, 9, 2}};
-
MatrixWorkspace_sptr ws = boost::dynamic_pointer_cast<MatrixWorkspace>(
WorkspaceFactory::Instance().create("Workspace2D", 1, size, size));
- ws->mutableY(0).assign(data.begin(), data.end());
- std::iota(ws->mutableX(0).begin(), ws->mutableX(0).end(), 0);
- std::transform(ws->y(0).cbegin(), ws->y(0).cend(), ws->mutableE(0).begin(),
- [](const double &y) { return sqrt(y); });
+ MantidVec xdata(size);
+ std::iota(xdata.begin(), xdata.end(), 0);
+ ws->setHistogram(0, Points(xdata),
+ Counts{1, 2, 1, 1, 9, 11, 13, 20, 24, 32,
+ 28, 48, 42, 77, 67, 33, 27, 20, 9, 2});
return ws;
}
@@ -180,23 +180,23 @@ public:
/** Generate a workspace with 2 spectra for test
*/
MatrixWorkspace_sptr generate2SpectraTestWorkspace() {
- vector<double> data{1, 2, 1, 1, 9, 11, 13, 20, 24, 32,
- 28, 48, 42, 77, 67, 33, 27, 20, 9, 2};
+
+ const size_t size = 20;
MatrixWorkspace_sptr ws = boost::dynamic_pointer_cast<MatrixWorkspace>(
- WorkspaceFactory::Instance().create("Workspace2D", 2, data.size(),
- data.size()));
+ WorkspaceFactory::Instance().create("Workspace2D", 2, size, size));
// Workspace index = 0
- ws->mutableY(0).assign(data.size(), 0.0);
- ws->mutableE(0).assign(data.size(), 1.0);
- std::iota(ws->mutableX(0).begin(), ws->mutableX(0).end(), 0);
+ MantidVec xdata(size);
+ std::iota(xdata.begin(), xdata.end(), 0);
+ ws->mutableX(0) = std::move(xdata);
+ ws->mutableE(0).assign(size, 1.0);
// Workspace index = 1
- ws->mutableY(1).assign(data.cbegin(), data.cend());
- std::iota(ws->mutableX(1).begin(), ws->mutableX(1).end(), 0);
- std::transform(ws->y(1).cbegin(), ws->y(1).cend(), ws->mutableE(1).begin(),
- [](const double &y) { return sqrt(y); });
+ ws->setSharedX(1, ws->sharedX(0));
+ ws->setCounts(1, Counts{1, 2, 1, 1, 9, 11, 13, 20, 24, 32,
+ 28, 48, 42, 77, 67, 33, 27, 20, 9, 2});
+
return ws;
}
};
diff --git a/Framework/Algorithms/test/FindPeaksTest.h b/Framework/Algorithms/test/FindPeaksTest.h
index 1b42d918b5c..d203cff3c47 100644
--- a/Framework/Algorithms/test/FindPeaksTest.h
+++ b/Framework/Algorithms/test/FindPeaksTest.h
@@ -25,6 +25,10 @@ using namespace Mantid::DataObjects;
using namespace std;
+using Mantid::HistogramData::Points;
+using Mantid::HistogramData::Counts;
+using Mantid::HistogramData::CountStandardDeviations;
+
class FindPeaksTest : public CxxTest::TestSuite {
public:
static FindPeaksTest *createSuite() { return new FindPeaksTest(); }
@@ -224,52 +228,51 @@ public:
const size_t size = 83;
- std::array<double, size> vecX = {
- {1.210120, 1.210600, 1.211080, 1.211570, 1.212050, 1.212540, 1.213020,
- 1.213510, 1.213990, 1.214480, 1.214970, 1.215450, 1.215940, 1.216420,
- 1.216910, 1.217400, 1.217880, 1.218370, 1.218860, 1.219350, 1.219830,
- 1.220320, 1.220810, 1.221300, 1.221790, 1.222280, 1.222760, 1.223250,
- 1.223740, 1.224230, 1.224720, 1.225210, 1.225700, 1.226190, 1.226680,
- 1.227170, 1.227660, 1.228160, 1.228650, 1.229140, 1.229630, 1.230120,
- 1.230610, 1.231110, 1.231600, 1.232090, 1.232580, 1.233080, 1.233570,
- 1.234060, 1.234560, 1.235050, 1.235540, 1.236040, 1.236530, 1.237030,
- 1.237520, 1.238020, 1.238510, 1.239010, 1.239500, 1.240000, 1.240500,
- 1.240990, 1.241490, 1.241990, 1.242480, 1.242980, 1.243480, 1.243970,
- 1.244470, 1.244970, 1.245470, 1.245970, 1.246460, 1.246960, 1.247460,
- 1.247960, 1.248460, 1.248960, 1.249460, 1.249960, 1.250460}};
- std::array<double, size> vecY = {
- {1619.0, 1644.0, 1616.0, 1589.0, 1608.0, 1612.0, 1630.0, 1671.0, 1588.0,
- 1577.0, 1616.0, 1556.0, 1625.0, 1655.0, 1552.0, 1539.0, 1538.0, 1542.0,
- 1558.0, 1628.0, 1557.0, 1606.0, 1563.0, 1611.0, 1584.0, 1447.0, 1532.0,
- 1580.0, 1539.0, 1513.0, 1601.0, 1558.0, 1567.0, 1573.0, 1551.0, 1465.0,
- 1602.0, 1543.0, 1538.0, 1515.0, 1556.0, 1574.0, 1519.0, 1452.0, 1568.0,
- 1522.0, 1518.0, 1603.0, 1538.0, 1659.0, 1685.0, 1763.0, 1846.0, 1872.0,
- 2018.0, 2035.0, 2113.0, 2131.0, 1921.0, 1947.0, 1756.0, 1603.0, 1602.0,
- 1552.0, 1558.0, 1518.0, 1512.0, 1511.0, 1466.0, 1474.0, 1368.0, 1463.0,
- 1447.0, 1409.0, 1381.0, 1478.0, 1445.0, 1429.0, 1447.0, 1354.0, 1430.0,
- 1440.0, 1423.0}};
- std::array<double, size> vecE = {{
- 40.236800, 40.546300, 40.199500, 39.862300, 40.099900, 40.149700,
- 40.373300, 40.877900, 39.849700, 39.711500, 40.199500, 39.446200,
- 40.311300, 40.681700, 39.395400, 39.230100, 39.217300, 39.268300,
- 39.471500, 40.348500, 39.458800, 40.074900, 39.534800, 40.137300,
- 39.799500, 38.039500, 39.140800, 39.749200, 39.230100, 38.897300,
- 40.012500, 39.471500, 39.585400, 39.661100, 39.382700, 38.275300,
- 40.025000, 39.281000, 39.217300, 38.923000, 39.446200, 39.673700,
- 38.974400, 38.105100, 39.598000, 39.012800, 38.961500, 40.037500,
- 39.217300, 40.730800, 41.048800, 41.988100, 42.965100, 43.266600,
- 44.922200, 45.111000, 45.967400, 46.162800, 43.829200, 44.124800,
- 41.904700, 40.037500, 40.025000, 39.395400, 39.471500, 38.961500,
- 38.884400, 38.871600, 38.288400, 38.392700, 36.986500, 38.249200,
- 38.039500, 37.536600, 37.161800, 38.444800, 38.013200, 37.802100,
- 38.039500, 36.796700, 37.815300, 37.947300, 37.722700, }};
-
MatrixWorkspace_sptr dataws = boost::dynamic_pointer_cast<MatrixWorkspace>(
WorkspaceFactory::Instance().create("Workspace2D", 1, size, size));
- dataws->mutableX(0).assign(vecX.cbegin(), vecX.cend());
- dataws->mutableY(0).assign(vecY.cbegin(), vecY.cend());
- dataws->mutableE(0).assign(vecE.cbegin(), vecE.cend());
+ dataws->setHistogram(
+ 0, Points{1.210120, 1.210600, 1.211080, 1.211570, 1.212050, 1.212540,
+ 1.213020, 1.213510, 1.213990, 1.214480, 1.214970, 1.215450,
+ 1.215940, 1.216420, 1.216910, 1.217400, 1.217880, 1.218370,
+ 1.218860, 1.219350, 1.219830, 1.220320, 1.220810, 1.221300,
+ 1.221790, 1.222280, 1.222760, 1.223250, 1.223740, 1.224230,
+ 1.224720, 1.225210, 1.225700, 1.226190, 1.226680, 1.227170,
+ 1.227660, 1.228160, 1.228650, 1.229140, 1.229630, 1.230120,
+ 1.230610, 1.231110, 1.231600, 1.232090, 1.232580, 1.233080,
+ 1.233570, 1.234060, 1.234560, 1.235050, 1.235540, 1.236040,
+ 1.236530, 1.237030, 1.237520, 1.238020, 1.238510, 1.239010,
+ 1.239500, 1.240000, 1.240500, 1.240990, 1.241490, 1.241990,
+ 1.242480, 1.242980, 1.243480, 1.243970, 1.244470, 1.244970,
+ 1.245470, 1.245970, 1.246460, 1.246960, 1.247460, 1.247960,
+ 1.248460, 1.248960, 1.249460, 1.249960, 1.250460},
+ Counts{1619.0, 1644.0, 1616.0, 1589.0, 1608.0, 1612.0, 1630.0, 1671.0,
+ 1588.0, 1577.0, 1616.0, 1556.0, 1625.0, 1655.0, 1552.0, 1539.0,
+ 1538.0, 1542.0, 1558.0, 1628.0, 1557.0, 1606.0, 1563.0, 1611.0,
+ 1584.0, 1447.0, 1532.0, 1580.0, 1539.0, 1513.0, 1601.0, 1558.0,
+ 1567.0, 1573.0, 1551.0, 1465.0, 1602.0, 1543.0, 1538.0, 1515.0,
+ 1556.0, 1574.0, 1519.0, 1452.0, 1568.0, 1522.0, 1518.0, 1603.0,
+ 1538.0, 1659.0, 1685.0, 1763.0, 1846.0, 1872.0, 2018.0, 2035.0,
+ 2113.0, 2131.0, 1921.0, 1947.0, 1756.0, 1603.0, 1602.0, 1552.0,
+ 1558.0, 1518.0, 1512.0, 1511.0, 1466.0, 1474.0, 1368.0, 1463.0,
+ 1447.0, 1409.0, 1381.0, 1478.0, 1445.0, 1429.0, 1447.0, 1354.0,
+ 1430.0, 1440.0, 1423.0},
+ CountStandardDeviations{
+ 40.236800, 40.546300, 40.199500, 39.862300, 40.099900, 40.149700,
+ 40.373300, 40.877900, 39.849700, 39.711500, 40.199500, 39.446200,
+ 40.311300, 40.681700, 39.395400, 39.230100, 39.217300, 39.268300,
+ 39.471500, 40.348500, 39.458800, 40.074900, 39.534800, 40.137300,
+ 39.799500, 38.039500, 39.140800, 39.749200, 39.230100, 38.897300,
+ 40.012500, 39.471500, 39.585400, 39.661100, 39.382700, 38.275300,
+ 40.025000, 39.281000, 39.217300, 38.923000, 39.446200, 39.673700,
+ 38.974400, 38.105100, 39.598000, 39.012800, 38.961500, 40.037500,
+ 39.217300, 40.730800, 41.048800, 41.988100, 42.965100, 43.266600,
+ 44.922200, 45.111000, 45.967400, 46.162800, 43.829200, 44.124800,
+ 41.904700, 40.037500, 40.025000, 39.395400, 39.471500, 38.961500,
+ 38.884400, 38.871600, 38.288400, 38.392700, 36.986500, 38.249200,
+ 38.039500, 37.536600, 37.161800, 38.444800, 38.013200, 37.802100,
+ 38.039500, 36.796700, 37.815300, 37.947300, 37.722700,
+ });
return dataws;
}
diff --git a/Framework/Algorithms/test/FitPeakTest.h b/Framework/Algorithms/test/FitPeakTest.h
index 4f6bd1c1386..1148d4e2c26 100644
--- a/Framework/Algorithms/test/FitPeakTest.h
+++ b/Framework/Algorithms/test/FitPeakTest.h
@@ -19,6 +19,10 @@ using namespace Mantid::DataObjects;
using namespace std;
+using Mantid::HistogramData::Points;
+using Mantid::HistogramData::Counts;
+using Mantid::HistogramData::CountStandardDeviations;
+
class FitPeakTest : public CxxTest::TestSuite {
public:
// This pair of boilerplate methods prevent the suite being created statically
@@ -196,57 +200,57 @@ public:
const size_t size = 84;
- std::array<double, size> vecx = {
- {0.585120, 0.585354, 0.585588, 0.585822, 0.586057, 0.586291, 0.586526,
- 0.586760, 0.586995, 0.587230, 0.587465, 0.587700, 0.587935, 0.588170,
- 0.588405, 0.588641, 0.588876, 0.589112, 0.589347, 0.589583, 0.589819,
- 0.590055, 0.590291, 0.590527, 0.590763, 0.590999, 0.591236, 0.591472,
- 0.591709, 0.591946, 0.592182, 0.592419, 0.592656, 0.592893, 0.593130,
- 0.593368, 0.593605, 0.593842, 0.594080, 0.594318, 0.594555, 0.594793,
- 0.595031, 0.595269, 0.595507, 0.595745, 0.595984, 0.596222, 0.596461,
- 0.596699, 0.596938, 0.597177, 0.597415, 0.597654, 0.597893, 0.598133,
- 0.598372, 0.598611, 0.598851, 0.599090, 0.599330, 0.599570, 0.599809,
- 0.600049, 0.600289, 0.600529, 0.600770, 0.601010, 0.601250, 0.601491,
- 0.601731, 0.601972, 0.602213, 0.602454, 0.602695, 0.602936, 0.603177,
- 0.603418, 0.603660, 0.603901, 0.604143, 0.604384, 0.604626, 0.604868}};
- std::array<double, size> vecy = {
- {15917.0, 16048.0, 16098.0, 15855.0, 15822.0, 15891.0, 15772.0, 15951.0,
- 15860.0, 15813.0, 15742.0, 15733.0, 15594.0, 15644.0, 15850.0, 15623.0,
- 15552.0, 15586.0, 15524.0, 15257.0, 15718.0, 15427.0, 15651.0, 15500.0,
- 15611.0, 15508.0, 15230.0, 15111.0, 15483.0, 15316.0, 15256.0, 15152.0,
- 15212.0, 15282.0, 15390.0, 15176.0, 15374.0, 15499.0, 16064.0, 16324.0,
- 16240.0, 15972.0, 15770.0, 15449.0, 15644.0, 14972.0, 15146.0, 14799.0,
- 15151.0, 14883.0, 14878.0, 14891.0, 14782.0, 14746.0, 15020.0, 14721.0,
- 14813.0, 14744.0, 14786.0, 14783.0, 14876.0, 14776.0, 14729.0, 14806.0,
- 14801.0, 14344.0, 14675.0, 14762.0, 14589.0, 14561.0, 14742.0, 14682.0,
- 14634.0, 14542.0, 14758.0, 14667.0, 14586.0, 14729.0, 14581.0, 14445.0,
- 14408.0, 14569.0, 14659.0, 14500.0}};
- std::array<double, size> vece = {
- {126.163000, 126.681000, 126.878000, 125.917000, 125.786000, 126.060000,
- 125.587000, 126.297000, 125.936000, 125.750000, 125.467000, 125.431000,
- 124.876000, 125.076000, 125.897000, 124.992000, 124.708000, 124.844000,
- 124.595000, 123.519000, 125.371000, 124.205000, 125.104000, 124.499000,
- 124.944000, 124.531000, 123.410000, 122.927000, 124.431000, 123.758000,
- 123.515000, 123.093000, 123.337000, 123.620000, 124.056000, 123.191000,
- 123.992000, 124.495000, 126.744000, 127.765000, 127.436000, 126.380000,
- 125.579000, 124.294000, 125.076000, 122.360000, 123.069000, 121.651000,
- 123.089000, 121.996000, 121.975000, 122.029000, 121.581000, 121.433000,
- 122.556000, 121.330000, 121.709000, 121.425000, 121.598000, 121.585000,
- 121.967000, 121.557000, 121.363000, 121.680000, 121.659000, 119.766000,
- 121.140000, 121.499000, 120.785000, 120.669000, 121.417000, 121.169000,
- 120.971000, 120.590000, 121.483000, 121.107000, 120.773000, 121.363000,
- 120.752000, 120.187000, 120.033000, 120.702000, 121.074000,
- 120.416000}};
-
const size_t NVectors = 1;
MatrixWorkspace_sptr ws = boost::dynamic_pointer_cast<MatrixWorkspace>(
WorkspaceFactory::Instance().create("Workspace2D", NVectors, size,
size));
- ws->mutableX(0).assign(vecx.cbegin(), vecx.cend());
- ws->mutableY(0).assign(vecy.cbegin(), vecy.cend());
- ws->mutableE(0).assign(vece.cbegin(), vece.cend());
+ ws->setHistogram(
+ 0, Points{0.585120, 0.585354, 0.585588, 0.585822, 0.586057, 0.586291,
+ 0.586526, 0.586760, 0.586995, 0.587230, 0.587465, 0.587700,
+ 0.587935, 0.588170, 0.588405, 0.588641, 0.588876, 0.589112,
+ 0.589347, 0.589583, 0.589819, 0.590055, 0.590291, 0.590527,
+ 0.590763, 0.590999, 0.591236, 0.591472, 0.591709, 0.591946,
+ 0.592182, 0.592419, 0.592656, 0.592893, 0.593130, 0.593368,
+ 0.593605, 0.593842, 0.594080, 0.594318, 0.594555, 0.594793,
+ 0.595031, 0.595269, 0.595507, 0.595745, 0.595984, 0.596222,
+ 0.596461, 0.596699, 0.596938, 0.597177, 0.597415, 0.597654,
+ 0.597893, 0.598133, 0.598372, 0.598611, 0.598851, 0.599090,
+ 0.599330, 0.599570, 0.599809, 0.600049, 0.600289, 0.600529,
+ 0.600770, 0.601010, 0.601250, 0.601491, 0.601731, 0.601972,
+ 0.602213, 0.602454, 0.602695, 0.602936, 0.603177, 0.603418,
+ 0.603660, 0.603901, 0.604143, 0.604384, 0.604626, 0.604868},
+ Counts{15917.0, 16048.0, 16098.0, 15855.0, 15822.0, 15891.0, 15772.0,
+ 15951.0, 15860.0, 15813.0, 15742.0, 15733.0, 15594.0, 15644.0,
+ 15850.0, 15623.0, 15552.0, 15586.0, 15524.0, 15257.0, 15718.0,
+ 15427.0, 15651.0, 15500.0, 15611.0, 15508.0, 15230.0, 15111.0,
+ 15483.0, 15316.0, 15256.0, 15152.0, 15212.0, 15282.0, 15390.0,
+ 15176.0, 15374.0, 15499.0, 16064.0, 16324.0, 16240.0, 15972.0,
+ 15770.0, 15449.0, 15644.0, 14972.0, 15146.0, 14799.0, 15151.0,
+ 14883.0, 14878.0, 14891.0, 14782.0, 14746.0, 15020.0, 14721.0,
+ 14813.0, 14744.0, 14786.0, 14783.0, 14876.0, 14776.0, 14729.0,
+ 14806.0, 14801.0, 14344.0, 14675.0, 14762.0, 14589.0, 14561.0,
+ 14742.0, 14682.0, 14634.0, 14542.0, 14758.0, 14667.0, 14586.0,
+ 14729.0, 14581.0, 14445.0, 14408.0, 14569.0, 14659.0, 14500.0},
+ CountStandardDeviations{
+ 126.163000, 126.681000, 126.878000, 125.917000, 125.786000,
+ 126.060000, 125.587000, 126.297000, 125.936000, 125.750000,
+ 125.467000, 125.431000, 124.876000, 125.076000, 125.897000,
+ 124.992000, 124.708000, 124.844000, 124.595000, 123.519000,
+ 125.371000, 124.205000, 125.104000, 124.499000, 124.944000,
+ 124.531000, 123.410000, 122.927000, 124.431000, 123.758000,
+ 123.515000, 123.093000, 123.337000, 123.620000, 124.056000,
+ 123.191000, 123.992000, 124.495000, 126.744000, 127.765000,
+ 127.436000, 126.380000, 125.579000, 124.294000, 125.076000,
+ 122.360000, 123.069000, 121.651000, 123.089000, 121.996000,
+ 121.975000, 122.029000, 121.581000, 121.433000, 122.556000,
+ 121.330000, 121.709000, 121.425000, 121.598000, 121.585000,
+ 121.967000, 121.557000, 121.363000, 121.680000, 121.659000,
+ 119.766000, 121.140000, 121.499000, 120.785000, 120.669000,
+ 121.417000, 121.169000, 120.971000, 120.590000, 121.483000,
+ 121.107000, 120.773000, 121.363000, 120.752000, 120.187000,
+ 120.033000, 120.702000, 121.074000, 120.416000});
return ws;
}
@@ -368,176 +372,49 @@ public:
MatrixWorkspace_sptr gen_PG3DiamondData() {
vector<double> vecx, vecy, vece;
- vecx.push_back(2.050678);
- vecy.push_back(1.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.051498);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.052319);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.053140);
- vecy.push_back(2.000000);
- vece.push_back(1.41421E+00);
- vecx.push_back(2.053961);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.054783);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.055605);
- vecy.push_back(2.000000);
- vece.push_back(1.41421E+00);
- vecx.push_back(2.056427);
- vecy.push_back(2.000000);
- vece.push_back(1.41421E+00);
- vecx.push_back(2.057250);
- vecy.push_back(3.000000);
- vece.push_back(1.73205E+00);
- vecx.push_back(2.058072);
- vecy.push_back(4.000000);
- vece.push_back(2.00000E+00);
- vecx.push_back(2.058896);
- vecy.push_back(5.000000);
- vece.push_back(2.23607E+00);
- vecx.push_back(2.059719);
- vecy.push_back(16.000000);
- vece.push_back(4.00000E+00);
- vecx.push_back(2.060543);
- vecy.push_back(20.000000);
- vece.push_back(4.47214E+00);
- vecx.push_back(2.061367);
- vecy.push_back(31.000000);
- vece.push_back(5.56776E+00);
- vecx.push_back(2.062192);
- vecy.push_back(26.000000);
- vece.push_back(5.09902E+00);
- vecx.push_back(2.063017);
- vecy.push_back(28.000000);
- vece.push_back(5.29150E+00);
- vecx.push_back(2.063842);
- vecy.push_back(29.000000);
- vece.push_back(5.38516E+00);
- vecx.push_back(2.064668);
- vecy.push_back(41.000000);
- vece.push_back(6.40312E+00);
- vecx.push_back(2.065493);
- vecy.push_back(40.000000);
- vece.push_back(6.32456E+00);
- vecx.push_back(2.066320);
- vecy.push_back(38.000000);
- vece.push_back(6.16441E+00);
- vecx.push_back(2.067146);
- vecy.push_back(40.000000);
- vece.push_back(6.32456E+00);
- vecx.push_back(2.067973);
- vecy.push_back(34.000000);
- vece.push_back(5.83095E+00);
- vecx.push_back(2.068800);
- vecy.push_back(35.000000);
- vece.push_back(5.91608E+00);
- vecx.push_back(2.069628);
- vecy.push_back(18.000000);
- vece.push_back(4.24264E+00);
- vecx.push_back(2.070456);
- vecy.push_back(21.000000);
- vece.push_back(4.58258E+00);
- vecx.push_back(2.071284);
- vecy.push_back(9.000000);
- vece.push_back(3.00000E+00);
- vecx.push_back(2.072112);
- vecy.push_back(6.000000);
- vece.push_back(2.44949E+00);
- vecx.push_back(2.072941);
- vecy.push_back(6.000000);
- vece.push_back(2.44949E+00);
- vecx.push_back(2.073770);
- vecy.push_back(11.000000);
- vece.push_back(3.31662E+00);
- vecx.push_back(2.074600);
- vecy.push_back(10.000000);
- vece.push_back(3.16228E+00);
- vecx.push_back(2.075430);
- vecy.push_back(4.000000);
- vece.push_back(2.00000E+00);
- vecx.push_back(2.076260);
- vecy.push_back(7.000000);
- vece.push_back(2.64575E+00);
- vecx.push_back(2.077090);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.077921);
- vecy.push_back(1.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.078752);
- vecy.push_back(1.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.079584);
- vecy.push_back(1.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.080416);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.081248);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.082080);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.082913);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.083746);
- vecy.push_back(2.000000);
- vece.push_back(1.41421E+00);
- vecx.push_back(2.084580);
- vecy.push_back(1.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.085414);
- vecy.push_back(1.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.086248);
- vecy.push_back(1.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.087082);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.087917);
- vecy.push_back(1.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.088752);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.089588);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.090424);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.091260);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.092096);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.092933);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
- vecx.push_back(2.093770);
- vecy.push_back(0.000000);
- vece.push_back(1.00000E+00);
-
size_t NVectors = 1;
- size_t sizex = vecx.size();
- size_t sizey = vecy.size();
+ size_t size = 53;
MatrixWorkspace_sptr ws = boost::dynamic_pointer_cast<MatrixWorkspace>(
- WorkspaceFactory::Instance().create("Workspace2D", NVectors, sizex,
- sizey));
+ WorkspaceFactory::Instance().create("Workspace2D", NVectors, size,
+ size));
- ws->mutableX(0).assign(vecx.cbegin(), vecx.cend());
- ws->mutableY(0).assign(vecy.cbegin(), vecy.cend());
- ws->mutableE(0).assign(vece.cbegin(), vece.cend());
+ ws->setHistogram(
+ 0,
+ Points{
+ 2.050678, 2.051498, 2.052319, 2.053140, 2.053961, 2.054783,
+ 2.055605, 2.056427, 2.057250, 2.058072, 2.058896, 2.059719,
+ 2.060543, 2.061367, 2.062192, 2.063017, 2.063842, 2.064668,
+ 2.065493, 2.066320, 2.067146, 2.067973, 2.068800, 2.069628,
+ 2.070456, 2.071284, 2.072112, 2.072941, 2.073770, 2.074600,
+ 2.075430, 2.076260, 2.077090, 2.077921, 2.078752, 2.079584,
+ 2.080416, 2.081248, 2.082080, 2.082913, 2.083746, 2.084580,
+ 2.085414, 2.086248, 2.087082, 2.087917, 2.088752, 2.089588,
+ 2.090424, 2.091260, 2.092096, 2.092933, 2.093770,
+ },
+ Counts{
+ 1.000000, 0.000000, 0.000000, 2.000000, 0.000000, 0.000000,
+ 2.000000, 2.000000, 3.000000, 4.000000, 5.000000, 16.000000,
+ 20.000000, 31.000000, 26.000000, 28.000000, 29.000000, 41.000000,
+ 40.000000, 38.000000, 40.000000, 34.000000, 35.000000, 18.000000,
+ 21.000000, 9.000000, 6.000000, 6.000000, 11.000000, 10.000000,
+ 4.000000, 7.000000, 0.000000, 1.000000, 1.000000, 1.000000,
+ 0.000000, 0.000000, 0.000000, 0.000000, 2.000000, 1.000000,
+ 1.000000, 1.000000, 0.000000, 1.000000, 0.000000, 0.000000,
+ 0.000000, 0.000000, 0.000000, 0.000000, 0.000000,
+ },
+ CountStandardDeviations{
+ 1.00000E+00, 1.00000E+00, 1.00000E+00, 1.41421E+00, 1.00000E+00,
+ 1.00000E+00, 1.41421E+00, 1.41421E+00, 1.73205E+00, 2.00000E+00,
+ 2.23607E+00, 4.00000E+00, 4.47214E+00, 5.56776E+00, 5.09902E+00,
+ 5.29150E+00, 5.38516E+00, 6.40312E+00, 6.32456E+00, 6.16441E+00,
+ 6.32456E+00, 5.83095E+00, 5.91608E+00, 4.24264E+00, 4.58258E+00,
+ 3.00000E+00, 2.44949E+00, 2.44949E+00, 3.31662E+00, 3.16228E+00,
+ 2.00000E+00, 2.64575E+00, 1.00000E+00, 1.00000E+00, 1.00000E+00,
+ 1.00000E+00, 1.00000E+00, 1.00000E+00, 1.00000E+00, 1.00000E+00,
+ 1.41421E+00, 1.00000E+00, 1.00000E+00, 1.00000E+00, 1.00000E+00,
+ 1.00000E+00, 1.00000E+00, 1.00000E+00, 1.00000E+00, 1.00000E+00,
+ 1.00000E+00, 1.00000E+00, 1.00000E+00,
+ });
return ws;
}
--
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