This project is mirrored from https://github.com/mantidproject/mantid.git.
Pull mirroring updated .
- Apr 01, 2020
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Peterson, Peter authored
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Peterson, Peter authored
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- Mar 31, 2020
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Peterson, Peter authored
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Peterson, Peter authored
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Peterson, Peter authored
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- Mar 26, 2020
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Danny Hindson authored
Miscellaneous code review comments to add comments, remove redundant brackets Also added comment to the sample environment concept page to explain where Mantid will search for the attenuation profile file
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- Mar 25, 2020
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Hahn, Steven authored
Signed-off-by:
Steven Hahn <hahnse@ornl.gov>
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Hahn, Steven authored
Signed-off-by:
Steven Hahn <hahnse@ornl.gov>
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Hahn, Steven authored
Signed-off-by:
Steven Hahn <hahnse@ornl.gov>
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David Fairbrother authored
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David Fairbrother authored
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David Fairbrother authored
Runs clang-tidy pass by ref across the codebase to fix-up various warnings we are seeing in cppcheck
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David Fairbrother authored
Hand-fixes some cppcheck warnings, this was work prior to fixing the cppcheck target.
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- Mar 24, 2020
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Hahn, Steven authored
Signed-off-by:
Steven Hahn <hahnse@ornl.gov>
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Hahn, Steven authored
Signed-off-by:
Steven Hahn <hahnse@ornl.gov>
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- Mar 23, 2020
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Hahn, Steven authored
Signed-off-by:
Steven Hahn <hahnse@ornl.gov>
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Danny Hindson authored
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Hahn, Steven authored
Signed-off-by:
Steven Hahn <hahnse@ornl.gov>
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Danny Hindson authored
While the primary use of the new attenuation profile file feature is expected to be via the sample environment xml file, it also makes sense to add it into any algorithms where the material properties can be specified. So I've added a new attenuation profile parameter to the SetSampleMaterial and LoadSampleEnvironment algorithms. The validations on these algorithms means they can't be called using postional arguments so have inserted the new parameter in the logical place next to the absorption cross section Have updated the docs to explain how the attenuation profile file is used
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- Mar 20, 2020
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Danny Hindson authored
Add feature where an externally generated attenuation profile can be loaded into the material definition from a .DAT text file. This will override the normal exp(-alpha*thickness) calculation of the attenuation. The new feature was requested as part of the absorption calculation for the Pearl instrument where some parts of the environment are crystalline Found the lookup\interpolation on the loaded profile was slowing down the absorption Monte Carlo calculation. So improved performance of Kernel::Interpolation. Changed it to use vector of pairs instead of two separate vectors to reduce amount of navigation around vectors Considered adding feature into AttenuationProfile where I add any interpolated points into the override attenuation profile to prevent interpolation next iteration of Monte Carlo simulation. However wasn't convinced this was going to be thread-safe during the parallel part of the absorption calculation - may revisit this. While doing this investigation I fixed the following issues with the function Interpolation::AddPoint: a) it doesn't add the same point twice b) it reuses the lower_bound function rather than stepping through the vector sequentially I removed the exception from findIndexOfNextLargerValue because the end() iterator is a valid result if the x value supplied equals the last x value already in the vector. Could have left check in for begin() but didn't seem much point Finally - the interpolation outside the range is not v good. The data at the extremes is noisy so we end up extrapolating based on random gradient in extreme 2 points. Need to either fit or use more points to determine gradient
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Nick Draper authored
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Nick Draper authored
Also updated class_maker.py
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- Mar 06, 2020
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Nick Draper authored
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- Mar 05, 2020
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Harriet Brown authored
This commit replaces all header guards in DataHandling with #pragma once
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- Mar 03, 2020
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Anthony Lim authored
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- Feb 28, 2020
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William F Godoy authored
Reuse map from NeXus file getEntries prevents creation and destruction of std::map addressing clang-format
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- Feb 20, 2020
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Harriet Brown authored
This commit changes the call of workspace->x(0) to workspace->points(0) because of this I no longer need to check if the workspace is a histogram or not. re: #27774
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- Feb 19, 2020
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Anthony Lim authored
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- Feb 17, 2020
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Harriet Brown authored
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Harriet Brown authored
This commit creates an algorithm `SaveRMCProfile` to output an ascii file with the format corresponding to a file used by the RMCProfile package. the output file contains only the x and y data from a workspace with a header containing the number of y values in the file on the first line, and on the second line the type of function contained within and a title for the data. re: #27774
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- Feb 14, 2020
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Mathieu Tillet authored
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- Feb 13, 2020
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Mathieu Tillet authored
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Anthony Lim authored
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- Feb 12, 2020
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Anthony Lim authored
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Danny Hindson authored
The format of the sample environment xml file has been extended to support loading a .stl file for each environment component. An example spec file has been created in ISIS/Pearl.xml. This can be used when running the Algorithm SetSample Various SampleEnvironmentXXX units have been moved out the Geometry package into the DataHandling package to facilitate this because they needed to access the STL loading code in DataHandling SetSample contains some features for overriding the sample geometry if the geometry is a CSGObject. This has been sidestepped for mesh geometries. The methods setId and setMaterial have been moved up to IObject because it's useful to have them applicable to all objects (CSG, mesh) Some of the repeated code in SetSample, LoadSampleEnvironment (and now SampleEnvironmentSpecParser) has been centralised in a new class LoadStlFactory Also changed container logic so that if there's only one container specified in the env spec file you don't need to specify it in SetSample Centralise code relating to scaling mesh vertices and handling of units into the LoadShape class and rename it MeshFileIO now that SaveStl is also descended from this class Move repeated code to choose Ascii or binary STL reader into a factory class
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- Feb 11, 2020
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Anthony Lim authored
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Anthony Lim authored
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- Feb 07, 2020
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Harriet Brown authored
This creates the framework for a saveRMCProfile algorithm that would be used for saving spectral density data in a format that can be read by RMCProfile. TODO get propper format of metadata re: #27774
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Harriet Brown authored
This commit refactors the the SavePDFGui algorithm to have two seperate functions, one for metadata and one for axis data. This makes any future changes simpler and makes the algorithm easy to duplicate with different metadata for different formats re: #27774
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