From 2e22e651f1c2d03a7207b7d18db60cb62656be56 Mon Sep 17 00:00:00 2001
From: Vickie Lynch <lynchve@ornl.gov>
Date: Mon, 11 Dec 2017 10:35:25 -0500
Subject: [PATCH] Refs #21371 else added
---
Framework/Crystal/src/IndexPeaks.cpp | 45 ++++++++++++++--------------
1 file changed, 23 insertions(+), 22 deletions(-)
diff --git a/Framework/Crystal/src/IndexPeaks.cpp b/Framework/Crystal/src/IndexPeaks.cpp
index 21d1078fab0..6c558ba3c01 100644
--- a/Framework/Crystal/src/IndexPeaks.cpp
+++ b/Framework/Crystal/src/IndexPeaks.cpp
@@ -18,23 +18,23 @@ using namespace Mantid::Geometry;
/** Initialize the algorithm's properties.
*/
void IndexPeaks::init() {
- this->declareProperty(make_unique<WorkspaceProperty<PeaksWorkspace>>(
+ this->declareProperty(make_unique<WorkspaceProperty<PeaksWorkspace> >(
"PeaksWorkspace", "", Direction::InOut),
"Input Peaks Workspace");
- auto mustBePositive = boost::make_shared<BoundedValidator<double>>();
+ auto mustBePositive = boost::make_shared<BoundedValidator<double> >();
mustBePositive->setLower(0.0);
this->declareProperty(
- make_unique<PropertyWithValue<double>>("Tolerance", 0.15, mustBePositive,
- Direction::Input),
+ make_unique<PropertyWithValue<double> >("Tolerance", 0.15, mustBePositive,
+ Direction::Input),
"Indexing Tolerance (0.15)");
this->declareProperty(
- make_unique<PropertyWithValue<int>>("NumIndexed", 0, Direction::Output),
+ make_unique<PropertyWithValue<int> >("NumIndexed", 0, Direction::Output),
"Gets set with the number of indexed peaks.");
- this->declareProperty(make_unique<PropertyWithValue<double>>(
+ this->declareProperty(make_unique<PropertyWithValue<double> >(
"AverageError", 0.0, Direction::Output),
"Gets set with the average HKL indexing error.");
@@ -85,7 +85,7 @@ void IndexPeaks::exec() {
for (size_t i = 0; i < n_peaks; i++) {
peaks[i].setHKL(miller_indices[i]);
}
- // } else {
+ } else {
double total_error = 0;
// get list of run numbers in this peaks workspace
std::vector<int> run_numbers;
@@ -140,8 +140,9 @@ void IndexPeaks::exec() {
{ // which is usually sufficient
try {
IndexingUtils::Optimize_UB(tempUB, miller_indices, q_vectors);
- } catch (...) // If there is any problem, such as too few
- { // independent peaks, just use the original UB
+ }
+ catch (...) // If there is any problem, such as too few
+ { // independent peaks, just use the original UB
tempUB = UB;
done = true;
}
@@ -193,20 +194,20 @@ void IndexPeaks::exec() {
average_error = total_error / total_indexed;
else
average_error = 0;
- // }
-
- // tell the user how many were indexed overall and the overall average error
- g_log.notice() << "ALL Runs: indexed " << total_indexed << " Peaks out of "
- << n_peaks << " with tolerance of " << tolerance << '\n';
- g_log.notice() << "Average error in h,k,l for indexed peaks = "
- << average_error << '\n';
-
- // Save output properties
- this->setProperty("NumIndexed", total_indexed);
- this->setProperty("AverageError", average_error);
- // Show the lattice parameters
- g_log.notice() << o_lattice << "\n";
}
+ // tell the user how many were indexed overall and the overall average error
+ g_log.notice() << "ALL Runs: indexed " << total_indexed << " Peaks out of "
+ << n_peaks << " with tolerance of " << tolerance << '\n';
+ g_log.notice() << "Average error in h,k,l for indexed peaks = "
+ << average_error << '\n';
+
+ // Save output properties
+ this->setProperty("NumIndexed", total_indexed);
+ this->setProperty("AverageError", average_error);
+ // Show the lattice parameters
+ g_log.notice() << o_lattice << "\n";
+}
+
} // namespace Mantid
} // namespace Crystal
--
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