merge develop into master #59
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(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.
…ybeam_with_limitation
…tation Merge "TRHEPD_manybeam_with_limitation" into "develop".
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v2.2.0