Updating the readme file
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@@ -136,4 +136,16 @@ Then git operates as follows:
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| `git add file.ext` | Stage changes in `file.ext` if it has been modified |
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| `git add .` | Stage changes of all modified files in `git` repo |
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| `git commit -m "Message"` | Commit the staged changes with the pertaining commit message "Message" |
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| `git push -u origin main` | Push changes to remote on branch `main`. Normally it suffices to just run `git push`, but specifying the branches is required when there are several of them... |
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| `git push -u origin main` | Push changes to remote on branch `main`. Normally it suffices to just run `git push`, but specifying the branches is required when there are several of them... |
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To remove files from the remote repository which are not desired (i.e. wrong entry in the gitignore file), update the gitignore file and then run
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```
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git add *
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git commit -m "Some commit message"
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git push
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git rm -r --cached
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git add *
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git commit -m "Some new commit message where the undesired files are now no longer there..."
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git push
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```
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+75
-1
@@ -21,6 +21,7 @@ import datetime
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import warnings
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from scipy.optimize import curve_fit
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from defs.Helper import compute_R2
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import re
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### ----------------------------------------------------------------------------------------------------------------------------------- ###
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### TOC.py
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@@ -358,4 +359,77 @@ class Calibration():
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file.writelines(lines)
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def compute(self, sample_areas):
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return self.curve.compute(sample_areas=sample_areas)
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return self.curve.compute(sample_areas=sample_areas)
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def TXTFileTransformer(file: Path, headline = 11, paketsize = 3, to_clipboard = True):
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methods = [] # column 1
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sample_names = [] # column 2
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comments = [] # column 6
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vials = [] # column 21
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date_times_1 = [] # column 7
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date_times_2 = [] # column 7
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date_times_3 = [] # column 7
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areas_1 = [] # column 11
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areas_2 = [] # column 11
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areas_3 = [] # column 11
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concentrations_1 = [] # column 13
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concentrations_2 = [] # column 13
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concentrations_3 = [] # column 13
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with open(file = file, errors='ignore', mode = 'r') as f:
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for index, line in enumerate(f.readlines()):
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if index < headline:
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continue
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else:
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items = re.split(r'\t', line)[:-1]
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# first sample
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if (index - headline) % paketsize == 0:
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methods.append(str(items[1]))
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sample_names.append(str(items[2]))
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comments.append(str(items[6]))
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vials.append(int(items[21]))
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date_times_1.append(pd.to_datetime(str(items[7]), format=r'%m/%d/%Y %I:%M:%S %p'))
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areas_1.append(float(items[11]))
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concentrations_1.append(float(items[13]))
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# second sample
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elif (index - headline) % paketsize == 1:
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date_times_2.append(pd.to_datetime(str(items[7]), format=r'%m/%d/%Y %I:%M:%S %p'))
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areas_2.append(float(items[11]))
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concentrations_2.append(float(items[13]))
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# third sample
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elif (index - headline) % paketsize == 2:
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date_times_3.append(pd.to_datetime(str(items[7]), format=r'%m/%d/%Y %I:%M:%S %p'))
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areas_3.append(float(items[11]))
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concentrations_3.append(float(items[13]))
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out_frame = pd.DataFrame({'method': methods,
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'sample': sample_names,
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'comment': comments,
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'vial': vials,
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'datetime_1': date_times_1,
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'datetime_2': date_times_2,
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'datetime_3': date_times_3,
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'area_1': areas_1,
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'area_2': areas_2,
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'area_3': areas_3,
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'concentration_1': concentrations_1,
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'concentration_2': concentrations_2,
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'concentration_3': concentrations_3})
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if to_clipboard:
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out_frame.to_clipboard(excel=True, index=False)
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else:
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return out_frame
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@@ -1,33 +1,4 @@
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import matplotlib
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import matplotlib.pyplot as plt
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from defs.TOC import TXTFileTransformer
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from pathlib import Path
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matplotlib.use('pgf')
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matplotlib.rcParams.update({'text.usetex': True,
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'pgf.rcfonts': False,
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'font.family': 'serif',
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'font.serif': [],
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'font.sans-serif': [],
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'font.size': 6,
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#'legend.fontsize': 6,
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'legend.handlelength': 2,
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#'xtick.labelsize': 6,
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#'ytick.labelsize': 6,
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'pgf.texsystem': r'lualatex',
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'pgf.preamble': r'\usepackage{scrextend}' +
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r'\usepackage{unicode-math}' +
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r'\usepackage{accents}' +
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r'\usepackage{fontspec}' +
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r'\usepackage[T1]{fontenc}' +
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r'\usepackage{unicode-math}' +
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r'\setmainfont{STIX Two Text}' +
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r'\setmathfont{STIX Two Math}' +
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r'\usepackage{siunitx}' +
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r'\usepackage{mhchem}' +
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r'\newcommand{\der}[1]{\ensuremath{\textnormal{d}\,{#1}}}'})
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plt.figure()
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plt.plot([], label=r'$this is a very very long math label a\times b$ and some text')
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plt.legend()
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plt.savefig('figure.png')
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plt.savefig('figure.pgf')
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plt.close()
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TXTFileTransformer(file=Path(r"c:\Users\tschan_d\Documents\analysis\TOC_Analysis\20260923\20260923_DT_SOA_Extract_Measurement_01_detail.txt"))
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