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Merge pull request #35 from Anselmoo/fixed-minor
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Fixed minor issues
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Anselmoo authored Aug 28, 2021
2 parents 8376cf1 + b05b3b3 commit bab90b2
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Showing 31 changed files with 489 additions and 175 deletions.
16 changes: 8 additions & 8 deletions .github/workflows/python-ci.yml
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Expand Up @@ -10,9 +10,9 @@ jobs:
pre-commit:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v2
- uses: actions/setup-python@v2
- uses: pre-commit/action@v2.0.3
- uses: actions/checkout@v2
- uses: actions/setup-python@v2
- uses: pre-commit/action@v2.0.3
build:
name: Python ${{ matrix.version }} - ${{ matrix.os }} - ${{ matrix.arch }} - ${{ github.event_name }}
needs: pre-commit
Expand Down Expand Up @@ -43,7 +43,7 @@ jobs:
- name: Install SpectraFit
run: |
poetry install
poetry run pytest --diff-symbols --cov=./spectrafit -vv --cov-report=xml
poetry run pytest --diff-symbols --cov=./spectrafit -vv --cov-report=xml --plots
- name: Codecov
uses: codecov/codecov-action@v2
with:
Expand Down Expand Up @@ -78,7 +78,7 @@ jobs:
needs: build
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v2
- name: Build the Docker image
run: |
docker build . --file Dockerfile --tag spectrafit:$(date +%s)
- uses: actions/checkout@v2
- name: Build the Docker image
run: |
docker build . --file Dockerfile --tag spectrafit:$(date +%s)
2 changes: 1 addition & 1 deletion Examples/example_1_summary.json
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Expand Up @@ -11,7 +11,7 @@
0,
1
],
"seperator": "\t",
"separator": "\t",
"decimal": ".",
"header": null,
"noplot": false,
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2 changes: 1 addition & 1 deletion Examples/example_2.json
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Expand Up @@ -8,7 +8,7 @@
"infile": "data.txt",
"outfile": "example_2",
"oversampling": false,
"seperator": "\t",
"separator": "\t",
"shift": 0,
"smooth": 0,
"verbose": false,
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2 changes: 1 addition & 1 deletion Examples/example_2_summary.json
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Expand Up @@ -11,7 +11,7 @@
0,
1
],
"seperator": "\t",
"separator": "\t",
"decimal": ".",
"header": null,
"noplot": false,
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2 changes: 1 addition & 1 deletion Examples/example_3.json
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Expand Up @@ -8,7 +8,7 @@
"infile": "data.csv",
"outfile": "example_3",
"oversampling": false,
"seperator": ",",
"separator": ",",
"shift": 0,
"smooth": 0,
"verbose": false,
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2 changes: 1 addition & 1 deletion Examples/example_3_summary.json
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Expand Up @@ -11,7 +11,7 @@
"Energy",
"Noisy"
],
"seperator": ",",
"separator": ",",
"decimal": ".",
"header": 0,
"noplot": false,
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10 changes: 7 additions & 3 deletions README.md
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Expand Up @@ -29,6 +29,10 @@ via pip:

```shell
pip install spectrafit

# Upgrade

pip install spectrafit --upgrade
```

## Usage:
Expand Down Expand Up @@ -87,10 +91,10 @@ optional arguments:
Constant applied energy shift; default to 0.0.
-c COLUMN COLUMN, --column COLUMN COLUMN
Selected columns for the energy- and intensity-values; default to 0 for energy (x-axis) and 1 for intensity (y-axis).
-sep { ,,,;,:,|, ,s+}, --seperator { ,,,;,:,|, ,s+}
Redefine the type of seperator; default to ' '.
-sep { ,,,;,:,|, ,s+}, --separator { ,,,;,:,|, ,s+}
Redefine the type of separator; default to ' '.
-dec {.,,}, --decimal {.,,}
Type of decimal seperator; default to '.'.
Type of decimal separator; default to '.'.
-hd HEADER, --header HEADER
Selected the header for the dataframe; default to None.
-np, --noplot No plotting the spectra and the fit of `spectrafit`.
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2 changes: 1 addition & 1 deletion docs/examples/example3.md
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Expand Up @@ -57,7 +57,7 @@ also printed in the terminal output:
"infile": "data.txt",
"outfile": "example_2_results",
"oversampling": false,
"seperator": "\t",
"separator": "\t",
"shift": 0,
"smooth": 0,
"verbose": false,
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6 changes: 3 additions & 3 deletions docs/examples/example4.md
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Expand Up @@ -635,7 +635,7 @@ following changes between previous
"infile": "data.txt",
"outfile": "example_2",
"oversampling": false,
"seperator": "\t",
"separator": "\t",
"shift": 0,
"smooth": 0,
"verbose": false,
Expand All @@ -656,7 +656,7 @@ and actually
"infile": "spectrafit/test/test_data.csv",
"outfile": "fit_results",
"oversampling": true,
"seperator": ",",
"separator": ",",
"shift": 0.2,
"smooth": 4,
"verbose": true,
Expand All @@ -669,7 +669,7 @@ have to be performed.

1. **Column**: `int` (index of the column) --> `str` (name of the column)
2. **header**: `null` (no header at all) --> `0` (header start at row-number 0)
3. **seperator**: `\t` (columns are separated by tab character) --> `,` (columns
3. **separator**: `\t` (columns are separated by tab character) --> `,` (columns
are separated by comma character)

```shell
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4 changes: 2 additions & 2 deletions docs/interface/features.md
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Expand Up @@ -199,7 +199,7 @@ different types of output files will be generated
0,
1
],
"seperator": "\t",
"separator": "\t",
"decimal": ".",
"header": null,
"noplot": true,
Expand Down Expand Up @@ -321,7 +321,7 @@ different types of output files will be generated
"smooth": 0,
"shift": 0,
"column": [0, 1],
"seperator": "\t",
"separator": "\t",
"decimal": ".",
"header": null,
"noplot": true,
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4 changes: 2 additions & 2 deletions docs/interface/usage.md
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Expand Up @@ -129,7 +129,7 @@ In case of advanced usage of `SpectraFit`, the following steps are necessary:
"infile": "spectrafit/test/rixs_fecl4.txt",
"outfile": "fit_results",
"oversampling": false,
"seperator": "\t",
"separator": "\t",
"shift": 0,
"smooth": 0,
"verbose": false,
Expand Down Expand Up @@ -231,7 +231,7 @@ types.
"outfile": "fit_results",
"oversampling": false,
"noplot": false,
"seperator": "\t",
"separator": "\t",
"shift": 0,
"smooth": 0,
"verbose": false,
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3 changes: 1 addition & 2 deletions mkdocs.yml
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Expand Up @@ -14,14 +14,13 @@ copyright: Copyright © 2021 - Anselm Hahn
# Configuration
theme:
name: material
features:
- navigation.expand
static_templates:
- 404.html
include_search_page: true
search_index_only: true
language: en
features:
- navigation.expand
- content.code.annotate
- content.tabs.link
- header.autohide
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