From 09a772edcb23f264c9f62f5bfe7200a7b96ef290 Mon Sep 17 00:00:00 2001 From: Vickie Lynch Date: Wed, 19 Mar 2014 14:12:15 -0400 Subject: [PATCH] Refs #9200 use exact transformations for each cell form number --- .../Geometry/src/Crystal/ConventionalCell.cpp | 6 +----- .../Geometry/src/Crystal/ScalarUtils.cpp | 16 ++++++---------- 2 files changed, 7 insertions(+), 15 deletions(-) diff --git a/Code/Mantid/Framework/Geometry/src/Crystal/ConventionalCell.cpp b/Code/Mantid/Framework/Geometry/src/Crystal/ConventionalCell.cpp index 0eab442021ce..660c9425b496 100644 --- a/Code/Mantid/Framework/Geometry/src/Crystal/ConventionalCell.cpp +++ b/Code/Mantid/Framework/Geometry/src/Crystal/ConventionalCell.cpp @@ -188,11 +188,7 @@ namespace Geometry UB_tran.Invert(); adjusted_UB = UB * UB_tran; - if ( cell_type == ReducedCell::ORTHORHOMBIC() ) - { - //SetSidesIncreasing( adjusted_UB ); - } - else if ( cell_type == ReducedCell::TETRAGONAL() ) + if ( cell_type == ReducedCell::TETRAGONAL() ) { StandardizeTetragonal( adjusted_UB ); } diff --git a/Code/Mantid/Framework/Geometry/src/Crystal/ScalarUtils.cpp b/Code/Mantid/Framework/Geometry/src/Crystal/ScalarUtils.cpp index f52dcf92ccc1..d7faa657d02a 100644 --- a/Code/Mantid/Framework/Geometry/src/Crystal/ScalarUtils.cpp +++ b/Code/Mantid/Framework/Geometry/src/Crystal/ScalarUtils.cpp @@ -138,13 +138,11 @@ std::vector ScalarUtils::GetCells( const std::string & cell_type, const std::string & centering ) { - double angle_tolerance = 2.0; - double length_factor = 1.05; std::vector result; - - std::vector UB_list = - GetRelatedUBs( UB, length_factor, angle_tolerance ); + // Get exact form requested and not permutations + std::vector UB_list; + UB_list.push_back(UB); for ( size_t k = 0; k < UB_list.size(); k++ ) { @@ -224,16 +222,14 @@ ConventionalCell ScalarUtils::GetCellForForm( const DblMatrix & UB, size_t form_num ) { ConventionalCell info( UB ); - double angle_tolerance = 2.0; - double length_factor = 1.05; ReducedCell form_0; ReducedCell form; double min_error = 1e20; // errors are usually < 10, so this is big enough - + // Get exact form requested and not permutations std::vector l_params; - std::vector UB_list = - GetRelatedUBs( UB, angle_tolerance, length_factor ); + std::vector UB_list; + UB_list.push_back(UB); for ( size_t i = 0; i < UB_list.size(); i++ ) {