Merge "TRHEPD_manybeam_with_limitation" into "develop". #56
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
(WIP) edit manual
Created by N.Kinoshita (Tottori U).
- Define "self.log_mode" to measure detail_timer if self.log_mode=True. - Add "normalization" section to "detail_timer". - Prepare detail_timer with the "set_detail_timer" function. - TODO: Operate log_mode with toml file. Generate txt of detail_timer.
[before]: Use lib_make_convolution.py to delete headers in the calculated data file and perform the convolution calculation. [after]: Use sim_trhepd_rheed_mb_connect.py to remove the headers of the calculated data file and lib_make_convolution.py to perform the convolution calculation.
- Additional options: "reference_first_line", "reference_last_line". The former specifies the first line to read the reference data, and the latter specifies the last line to read the reference data. - Changed the reading of reference data from the np.loadtxt function to using the open, read, readlines, and split functions.
- Using the coefficients co_a and co_b, you can make it search only the range that meets the following constraint formula. --- co_a[1,1]*x_[1] + co_a[1,2]*x_[2] + ... + co_a[1,n]*x_[n] + co_b[1] > 0 co_a[2,1]*x_[1] + co_a[2,2]*x_[2] + ... + co_a[2,n]*x_[n] + co_b[2] > 0 ... co_a[m,1]*x_[1] + co_a[m,2]*x_[2] + ... + co_a[m,n]*x_[n] + co_b[m] > 0 --- - co_a and co_b can be defined in option [runner.limitation] in the toml file. - When setting constraint formulas, both co_a and co_b must be set in the toml file. - If neither co_a nor co_b are set in the toml file, the calculation can be performed without constraint formulas. - If the initial_list set in [algorithm.param] does not fit the constraint formulas, an error occurs. - If initial_list is not set in [algorithm.param], then initial coordinates that fit the constraint formulas are created.
- Added option "calculated_first_line", "calculated_last_line", "calculated_info_line"
- "calculated_first_line" specifies the first line to be read from the calculated data file.
- "calculated_last_line" specifies the last line to be read from the calculated data file.
- "calculated_info_line" specifies the line in the calculated data file where the number of beams and glancing angles are written.
- If the number of glancing angles read from the calculated data file does not match the user-specified number of lines to be read from the calculated data file ("calculated_last_line" - "calculated_first_line" + 1), WARNING is output.
If the normalization == "MAX" option is used, an exception.InputError will occur.
- Changed the argument of the function "_calc_Rfactor". - Changed the R-factor code for calculations with "Rfactor_type = A" or "Rfactor_type = A2". The calculated values are exactly the same as before the code change. - Change of the code normalization = "MS_NORM". The self.spot_weight is automatically calculated from the calculated intensity and used in the R-factor calculation. - Some variable names in the code were changed.
- RockingCurve_calculated.txt can now be generated even if 'normalization = "MS_NORM"' is set. - Minor changes related to variable names.
- The option "normalization" in [solver,post] can only specify "TOTAL" or "MULTI_SPOT" . - The option "weight_type" of [SOLVER,POST] is newly added. calc" and "manual" can be specified. - With the following settings, the same calculation as the previous code can be performed. <old option> -> <new option> normalization="MS_NORM" -> normalization="MULTI_SPOT", weight_type="calc" normalization="MS_NORM_SET_WGT" -> normalization="MULTI_SPOT", weight_type="manual" - If normalization="MULTI_SPOT", the value of option "weight_type" is printed in RockingCurve_calculated.txt.
- Changed the method of generating "initial_list" for execution with [runner.limitation] set. - Changed the constraint formula to include the judgment in the variable "in_range".
- If the constraint formula is not satisfied, out_of_range = true.
…ybeam_with_limitation
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
[Major Changes]
(Editted sim-trhepd-rheed.rst, input.rst, tutorial/index.rst. Created tutorial/limitation.rst)