From c94c7f847ffdc4eb95d6fb3dceb355ecce2467f4 Mon Sep 17 00:00:00 2001
From: Janik Zikovsky <zikovskyjl@ornl.gov>
Date: Tue, 20 Dec 2011 10:26:04 -0500
Subject: [PATCH] Refs #4353 added output properties in IndexPeaks
---
.gitignore | 1 +
.../Framework/Crystal/src/IndexPeaks.cpp | 25 +++++++++----------
.../Framework/Crystal/test/IndexPeaksTest.h | 7 ++++++
3 files changed, 20 insertions(+), 13 deletions(-)
diff --git a/.gitignore b/.gitignore
index 472d8907a5e..ef6b7d74972 100644
--- a/.gitignore
+++ b/.gitignore
@@ -3,6 +3,7 @@
# Ignore text editor (e.g. emacs) autosave files
*~
+
# Ignore CMake generated files (if someone does an in-source build)
CMakeCache.txt
CMakeFiles
diff --git a/Code/Mantid/Framework/Crystal/src/IndexPeaks.cpp b/Code/Mantid/Framework/Crystal/src/IndexPeaks.cpp
index 572b0a322a1..64882c5c4f1 100644
--- a/Code/Mantid/Framework/Crystal/src/IndexPeaks.cpp
+++ b/Code/Mantid/Framework/Crystal/src/IndexPeaks.cpp
@@ -65,6 +65,11 @@ namespace Crystal
this->declareProperty(new PropertyWithValue<double>( "Tolerance",0.15,
mustBePositive,Direction::Input),"Indexing Tolerance (0.15)");
+
+ this->declareProperty(new PropertyWithValue<int>( "NumIndexed", 0,
+ Direction::Output), "Gets set with the number of indexed peaks.");
+ this->declareProperty(new PropertyWithValue<double>( "AverageError", 0.0,
+ Direction::Output), "Gets set with the average HKL indexing error.");
}
//--------------------------------------------------------------------------
@@ -111,22 +116,16 @@ namespace Crystal
miller_indices,
average_error );
- // now tell the user how many were indexed
- char logInfo[200];
- sprintf( logInfo,
- std::string("Indexed %1d Peaks out of %1d with tolerance %5.3f").c_str(),
- num_indexed, n_peaks, tolerance );
- g_log.notice( std::string(logInfo) );
-
- sprintf( logInfo,
- std::string("Average error in h,k,l for indexed peaks = %6.4f").c_str(),
- average_error);
- g_log.notice( std::string(logInfo) );
+ // now tell the user how many were indexed
+ g_log.notice() << "Indexed " << num_indexed << " Peaks out of " << n_peaks << " with tolerance of " << tolerance << std::endl;
+ g_log.notice() << "Average error in h,k,l for indexed peaks = " << average_error << std::endl;
for ( size_t i = 0; i < n_peaks; i++ )
- {
peaks[i].setHKL( miller_indices[i] );
- }
+
+ // Save output properties
+ this->setProperty("NumIndexed", num_indexed);
+ this->setProperty("AverageError", average_error);
}
diff --git a/Code/Mantid/Framework/Crystal/test/IndexPeaksTest.h b/Code/Mantid/Framework/Crystal/test/IndexPeaksTest.h
index 7990336d9c7..0694c555c46 100644
--- a/Code/Mantid/Framework/Crystal/test/IndexPeaksTest.h
+++ b/Code/Mantid/Framework/Crystal/test/IndexPeaksTest.h
@@ -85,6 +85,13 @@ public:
{
TS_ASSERT( IndexingUtils::ValidIndex( peaks[i].getHKL(), tolerance ) );
}
+
+ // Check the output properties
+ int numIndexed = alg.getProperty("NumIndexed");
+ TS_ASSERT_EQUALS( numIndexed, 43);
+ double averageError = alg.getProperty("AverageError");
+ TS_ASSERT_DELTA( averageError, 0.0097, 1e-3);
+
// spot check a few peaks
V3D peak_0_hkl ( -4, -1, -6 ); // first peak
V3D peak_1_hkl ( -3, 1, -4 );
--
GitLab