From 009ca9c393fb777e93ebc0bae4c3824cfd21e611 Mon Sep 17 00:00:00 2001
From: "Zhang, Chen" <zhangc@ornl.gov>
Date: Fri, 26 Mar 2021 11:35:31 -0400
Subject: [PATCH] modification based on PR feedback
---
.../Algorithms/src/CompareWorkspaces.cpp | 19 ++++++++++++-------
1 file changed, 12 insertions(+), 7 deletions(-)
diff --git a/Framework/Algorithms/src/CompareWorkspaces.cpp b/Framework/Algorithms/src/CompareWorkspaces.cpp
index 50434a90165..2db836f5b03 100644
--- a/Framework/Algorithms/src/CompareWorkspaces.cpp
+++ b/Framework/Algorithms/src/CompareWorkspaces.cpp
@@ -1112,7 +1112,7 @@ void CompareWorkspaces::doPeaksComparison(PeaksWorkspace_sptr tws1,
if (name == "RunNumber") {
s1 = double(peak1.getRunNumber());
s2 = double(peak2.getRunNumber());
- } else if (name == "detid") {
+ } else if (name == "DetID") {
s1 = double(peak1.getDetectorID());
s2 = double(peak2.getDetectorID());
} else if (name == "h") {
@@ -1130,7 +1130,7 @@ void CompareWorkspaces::doPeaksComparison(PeaksWorkspace_sptr tws1,
} else if (name == "Energy") {
s1 = peak1.getInitialEnergy();
s2 = peak2.getInitialEnergy();
- } else if (name == "tof") {
+ } else if (name == "TOF") {
s1 = peak1.getTOF();
s2 = peak2.getTOF();
} else if (name == "DSpacing") {
@@ -1145,10 +1145,10 @@ void CompareWorkspaces::doPeaksComparison(PeaksWorkspace_sptr tws1,
} else if (name == "BinCount") {
s1 = peak1.getBinCount();
s2 = peak2.getBinCount();
- } else if (name == "row") {
+ } else if (name == "Row") {
s1 = peak1.getRow();
s2 = peak2.getRow();
- } else if (name == "col") {
+ } else if (name == "Col") {
s1 = peak1.getCol();
s2 = peak2.getCol();
}
@@ -1212,9 +1212,6 @@ void CompareWorkspaces::doLeanElasticPeaksComparison(
} else if (name == "Wavelength") {
s1 = ipws1->getPeak(i).getWavelength();
s2 = ipws2->getPeak(i).getWavelength();
- } else if (name == "Energy") {
- s1 = ipws1->getPeak(i).getFinalEnergy();
- s2 = ipws2->getPeak(i).getFinalEnergy();
} else if (name == "DSpacing") {
s1 = ipws1->getPeak(i).getDSpacing();
s2 = ipws2->getPeak(i).getDSpacing();
@@ -1235,6 +1232,14 @@ void CompareWorkspaces::doLeanElasticPeaksComparison(
s1 += (q1[i] - q2[i]) * (q1[i] - q2[i]);
}
s1 = std::sqrt(s1);
+ } else if (name == "QSample") {
+ V3D q1 = ipws1->getPeak(i).getQSampleFrame();
+ V3D q2 = ipws2->getPeak(i).getQSampleFrame();
+ // using s1 here as the diff
+ for (int i = 0; i < 3; ++i) {
+ s1 += (q1[i] - q2[i]) * (q1[i] - q2[i]);
+ }
+ s1 = std::sqrt(s1);
}
if (std::fabs(s1 - s2) > tolerance) {
g_log.debug() << "Data mismatch at cell (row#,col#): (" << i << "," << j
--
GitLab