Fixed: #169 -> minimalistic printout for terminal

.github/dependabot.yml

@@ -2,7 +2,6 @@
 
 version: 2
 updates:
-
   # Maintain dependencies for GitHub Actions
   - package-ecosystem: "github-actions"
     directory: "/"

.github/workflows/codeql-analysis.yml

@@ -13,12 +13,12 @@ name: "CodeQL"
 
 on:
   push:
-    branches: [ main ]
+    branches: [main]
   pull_request:
     # The branches below must be a subset of the branches above
-    branches: [ main ]
+    branches: [main]
   schedule:
-    - cron: '33 9 * * 0'
+    - cron: "33 9 * * 0"
 
 jobs:
   analyze:
@@ -32,40 +32,40 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        language: [ 'python' ]
+        language: ["python"]
         # CodeQL supports [ 'cpp', 'csharp', 'go', 'java', 'javascript', 'python' ]
         # Learn more:
         # https://docs.github.com/en/free-pro-team@latest/github/finding-security-vulnerabilities-and-errors-in-your-code/configuring-code-scanning#changing-the-languages-that-are-analyzed
 
     steps:
-    - name: Checkout repository
-      uses: actions/checkout@v2
+      - name: Checkout repository
+        uses: actions/checkout@v2
 
-    # Initializes the CodeQL tools for scanning.
-    - name: Initialize CodeQL
-      uses: github/codeql-action/init@v1
-      with:
-        languages: ${{ matrix.language }}
-        # If you wish to specify custom queries, you can do so here or in a config file.
-        # By default, queries listed here will override any specified in a config file.
-        # Prefix the list here with "+" to use these queries and those in the config file.
-        # queries: ./path/to/local/query, your-org/your-repo/queries@main
+      # Initializes the CodeQL tools for scanning.
+      - name: Initialize CodeQL
+        uses: github/codeql-action/init@v1
+        with:
+          languages: ${{ matrix.language }}
+          # If you wish to specify custom queries, you can do so here or in a config file.
+          # By default, queries listed here will override any specified in a config file.
+          # Prefix the list here with "+" to use these queries and those in the config file.
+          # queries: ./path/to/local/query, your-org/your-repo/queries@main
 
-    # Autobuild attempts to build any compiled languages  (C/C++, C#, or Java).
-    # If this step fails, then you should remove it and run the build manually (see below)
-    - name: Autobuild
-      uses: github/codeql-action/autobuild@v1
+      # Autobuild attempts to build any compiled languages  (C/C++, C#, or Java).
+      # If this step fails, then you should remove it and run the build manually (see below)
+      - name: Autobuild
+        uses: github/codeql-action/autobuild@v1
 
-    # ℹ️ Command-line programs to run using the OS shell.
-    # 📚 https://git.io/JvXDl
+      # ℹ️ Command-line programs to run using the OS shell.
+      # 📚 https://git.io/JvXDl
 
-    # ✏️ If the Autobuild fails above, remove it and uncomment the following three lines
-    #    and modify them (or add more) to build your code if your project
-    #    uses a compiled language
+      # ✏️ If the Autobuild fails above, remove it and uncomment the following three lines
+      #    and modify them (or add more) to build your code if your project
+      #    uses a compiled language
 
-    #- run: |
-    #   make bootstrap
-    #   make release
+      #- run: |
+      #   make bootstrap
+      #   make release
 
-    - name: Perform CodeQL Analysis
-      uses: github/codeql-action/analyze@v1
+      - name: Perform CodeQL Analysis
+        uses: github/codeql-action/analyze@v1

.github/workflows/python-ci.yml

@@ -82,13 +82,13 @@ jobs:
     needs: build
     runs-on: ubuntu-latest
     steps:
-    - name: Checkout
-      uses: actions/checkout@v2
-      with:
-        # Make sure the actual branch is checked out when running on pull requests
-        ref: ${{ github.head_ref }}
-        # This is important to fetch the changes to the previous commit
-        fetch-depth: 0
+      - name: Checkout
+        uses: actions/checkout@v2
+        with:
+          # Make sure the actual branch is checked out when running on pull requests
+          ref: ${{ github.head_ref }}
+          # This is important to fetch the changes to the previous commit
+          fetch-depth: 0
 
     # - name: Prettify code
     #  uses: creyD/prettier_action@v4.1

.gitlab-ci.yml

@@ -23,15 +23,15 @@ cache:
     - venv/
 
 before_script:
-  - python -V  # Print out python version for debugging
+  - python -V # Print out python version for debugging
   - pip install virtualenv
   - virtualenv venv
   - source venv/bin/activate
 
 test:
   script:
     - python setup.py test
-    - pip install tox flake8  # you can also use tox
+    - pip install tox flake8 # you can also use tox
     - tox -e py36,flake8
 
 run:

.gitlab/.gitlab-webide.yml

@@ -6,7 +6,8 @@ terminal:
     - name: registry.gitlab.com/gitlab-org/webide-file-sync:latest
       alias: webide-file-sync
       entrypoint: ["/bin/sh"]
-      command: ["-c", "sleep 5 && ./webide-file-sync -project-dir $CI_PROJECT_DIR"]
+      command:
+        ["-c", "sleep 5 && ./webide-file-sync -project-dir $CI_PROJECT_DIR"]
       ports:
         # The `webide-file-sync` executable defaults to port 3000.
         - number: 3000

.pre-commit-config.yaml

@@ -12,7 +12,7 @@ repos:
       - id: check-ast
       - id: check-merge-conflict
       - id: check-added-large-files
-        args: ['--maxkb=1000']
+        args: ["--maxkb=1000"]
   - repo: https://github.com/psf/black.git
     rev: 21.12b0
     hooks:

CHANGELOG.md

@@ -4,6 +4,23 @@
 
 > See also: [https://github.com/Anselmoo/spectrafit/releases][1]
 
+## v 0.8.0
+
+---
+
+- Introduced smaller enhancement:
+  - Printout of the fit parameters in the output file: True/False -> [0, 1, 2]
+  - Keyword check for `SpectraFit`
+- Fix smaller bugs:
+  - `Pseudo-Voigt` power factor from 0.25 -> 0.2
+  - Correct type-definitions for `SpectraFit`
+
+## v0.7.1
+
+---
+
+- Maintance of the `SpectraFit` package
+
 ## v0.7.0
 
 ---
@@ -150,11 +167,9 @@
 [8]: https://github.com/Anselmoo/spectrafit/security
 [9]: https://dependabot.com
 [10]: https://securitylab.github.com/tools/codeql/
-[11]:
-  https://docs.github.com/en/communities/using-templates-to-encourage-useful-issues-and-pull-requests/configuring-issue-templates-for-your-repository
+[11]: https://docs.github.com/en/communities/using-templates-to-encourage-useful-issues-and-pull-requests/configuring-issue-templates-for-your-repository
 [12]: https://git-lfs.github.com
 [13]: https://github.com/apps/stale
 [14]: https://github.com/Anselmoo/spectrafit/blob/main/README.md
 [15]: https://pypi.org/project/spectrafit/
-[16]:
-  https://docs.scipy.org/doc/scipy/reference/generated/scipy.signal.find_peaks.html
+[16]: https://docs.scipy.org/doc/scipy/reference/generated/scipy.signal.find_peaks.html

Examples/example_1_summary.json

@@ -13,7 +13,7 @@
   "header": null,
   "noplot": false,
   "version": false,
-  "verbose": false,
+  "verbose": 1,
   "description": {
     "project_name": "Example1",
     "project_details": "Example 1",

Examples/example_2.json

@@ -11,7 +11,7 @@
     "separator": "\t",
     "shift": 0,
     "smooth": 0,
-    "verbose": false,
+    "verbose": 1,
     "version": false
   },
   "fitting": {

Examples/example_2_summary.json

@@ -13,7 +13,7 @@
   "header": null,
   "noplot": false,
   "version": false,
-  "verbose": false,
+  "verbose": 1,
   "description": {
     "project_name": "Template",
     "project_details": "Template for testing",

Examples/example_3.json

@@ -11,7 +11,7 @@
     "separator": ",",
     "shift": 0,
     "smooth": 0,
-    "verbose": false,
+    "verbose": 1,
     "version": false
   },
   "fitting": {

Examples/example_3_summary.json

@@ -13,7 +13,7 @@
   "header": 0,
   "noplot": false,
   "version": false,
-  "verbose": false,
+  "verbose": 1,
   "description": {
     "project_name": "Template",
     "project_details": "Template for testing",

Examples/example_5.json

@@ -11,7 +11,7 @@
     "separator": ",",
     "shift": 0,
     "smooth": 0,
-    "verbose": false,
+    "verbose": 1,
     "version": false
   },
   "fitting": {

Examples/example_5_summary.json

@@ -13,7 +13,7 @@
   "header": 0,
   "noplot": false,
   "version": false,
-  "verbose": false,
+  "verbose": 1,
   "description": {
     "project_name": "Template",
     "project_details": "Template for testing",

Examples/example_6.json

@@ -9,7 +9,7 @@
     "separator": ",",
     "shift": 0.2,
     "smooth": false,
-    "verbose": false,
+    "verbose": 1,
     "version": false,
     "noplot": false,
     "global": 1

Examples/example_6_summary.json

@@ -13,7 +13,7 @@
   "header": 0,
   "noplot": false,
   "version": false,
-  "verbose": false,
+  "verbose": 1,
   "global": 1,
   "description": {
     "project_name": "Template",

Examples/example_7.json

@@ -20,7 +20,7 @@
       "width": [0.002, 12],
       "wlen": 100
     },
-    "verbose": false,
+    "verbose": 1,
     "version": false
   },
   "fitting": {

Examples/example_7_summary.json

@@ -23,7 +23,7 @@
   },
   "noplot": false,
   "version": false,
-  "verbose": false,
+  "verbose": 1,
   "description": {
     "project_name": "Template",
     "project_details": "Template for testing",

README.md

@@ -127,8 +127,10 @@ optional arguments:
                         for  manual peak definition.
   -np, --noplot         No plotting the spectra and the fit of `SpectraFit`.
   -v, --version         Display the current version of `SpectraFit`.
-  -vb, --verbose        Display the initial configuration parameters as a
-                        dictionary.
+  -vb, --verbose        Display the initial configuration parameters and fit
+                        results, as a table '1', as a dictionary '2', or not in
+                        the terminal '0'. The default option is set to 1 for
+                        table `printout`.
 ```
 
 ## Documentation

SECURITY.md

@@ -25,5 +25,4 @@ Tell them where to go, how often they can expect to get an update on a reported
 vulnerability, what to expect if the vulnerability is accepted or declined, etc.
 
 [1]: https://securitylab.github.com/tools/codeql/
-[2]:
-  https://github.com/Anselmoo/spectrafit/blob/main/.github/workflows/codeql-analysis.yml
+[2]: https://github.com/Anselmoo/spectrafit/blob/main/.github/workflows/codeql-analysis.yml

docs/doc/fitting.md

@@ -55,9 +55,7 @@ result = mini.minimize(**args["optimizer"])
     this [SciPy implementation][4] is implemented in `SpectraFit` and can be
     used by setting the `minimizer` parameter to `"differential_evolution"`.
 
-[1]:
-  https://lmfit.github.io/lmfit-py/fitting.html?highlight=minimizer#lmfit.minimizer.Minimizer
+[1]: https://lmfit.github.io/lmfit-py/fitting.html?highlight=minimizer#lmfit.minimizer.Minimizer
 [2]: https://lmfit.github.io/lmfit-py/fitting.html?highlight=minimize
 [3]: https://en.wikipedia.org/wiki/Differential_evolution
-[4]:
-  https://docs.scipy.org/doc/scipy/reference/generated/scipy.optimize.differential_evolution.html
+[4]: https://docs.scipy.org/doc/scipy/reference/generated/scipy.optimize.differential_evolution.html

docs/examples/example3.md

@@ -60,7 +60,7 @@ also printed in the terminal output:
         "separator": "\t",
         "shift": 0,
         "smooth": 0,
-        "verbose": false,
+        "verbose": 1,
         "version": false
     },
     "fitting": {

docs/examples/example4.md

@@ -638,7 +638,7 @@ following changes between previous
     "separator": "\t",
     "shift": 0,
     "smooth": 0,
-    "verbose": false,
+    "verbose": 1,
     "version": false
   },
 ```
@@ -659,7 +659,7 @@ and actually
     "separator": ",",
     "shift": 0.2,
     "smooth": 4,
-    "verbose": true,
+    "verbose": 2,
     "version": false,
     "noplot": true
   },
@@ -680,8 +680,6 @@ spectrafit _ -i example_3.json
 
 > Elastic-line of a pseudo 2p3d-RIXS spectra.
 
-[1]:
-  https://numpy.org/doc/stable/reference/random/generated/numpy.random.random.html
-[2]:
-  https://pandas.pydata.org/pandas-docs/stable/reference/api/pandas.read_csv.html
+[1]: https://numpy.org/doc/stable/reference/random/generated/numpy.random.random.html
+[2]: https://pandas.pydata.org/pandas-docs/stable/reference/api/pandas.read_csv.html
 [3]: ../../examples/example3/

docs/examples/example6.md

@@ -137,7 +137,7 @@ based on the `lmfit` approach for [Fit Multiple Data Sets][2]. In this case of
             "separator": ",",
             "shift": 0.2,
             "smooth": false,
-            "verbose": false,
+            "verbose": 1,
             "version": false,
             "noplot": false,
             "global": 1

docs/examples/example7.md

@@ -30,7 +30,7 @@ In the following example the in example the section block looks like:
       "width": [0.002, 12],
       "wlen": 100
     },
-    "verbose": false,
+    "verbose": 1,
     "version": false
   }
 }
@@ -347,6 +347,5 @@ in the figure shown below.
         },
     ```
 
-[1]:
-  https://docs.scipy.org/doc/scipy/reference/generated/scipy.signal.find_peaks.html
+[1]: https://docs.scipy.org/doc/scipy/reference/generated/scipy.signal.find_peaks.html
 [2]: ../../interface/usage/