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@@ -49,20 +49,21 @@ You can find general instructions on how to work with our code or develop python
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1.**Clone** this repository or use it as a **template** (click on the green "Use this template" button).
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2.**Edit**`knime.yml` to provide your metadata, license, etc. The last two lines of this file indicate that the extension created with this repository depends on the KNIME Base Chemistry Types & Nodes and the RDKit extensions.
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3.**Modify** the `src/extension.py` file or **add** further files to implement your own logic. Note that every py file equivalent to one node needs to be imported in the init.py file.
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4._(Optional)_ Add python packages to the environment with the following command, or by manually editing the `pixi.toml` file:
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4.**Install** the python environment:
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```bash
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pixi add <package_name>
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pixi install
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```
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If you leave the `pixi.toml` fileunchanged, the Python environment that you will create in the next step will have the RDKit package installed per default.
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5. **Install** the python environment:
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This will install the Python environment as defined in the `pixi.toml` file. If you leave this file unchanged, the Python environment that is installed will have the RDKit package installed per default.
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5. _(Optional)_ Add python packages to the environment with the following command, or by manually editing the `pixi.toml` file:
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```bash
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pixi install
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pixi add <package_name>
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```
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6. **Test** the extension in the KNIME Analytics Platform with the extension in debug mode by adding the following line to the `knime.ini` file (adjust <path_to_this_repository>in the `config.yml`):
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Note that you have to run the `pixi install`command again after manually editing the `pixi.toml` file.
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6. **Install** the extension in debug mode in your KNIME Analytics Platformby running the following command:
This will start the KNIME Analytics Platform with your extension installed. You can now test your extension in the KNIME Analytics Platform (e.g. demo workflow).
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Previously this step required modifying the `config.yml`and `knime.ini` files manually. This improvement will allow you to selectyour KNINE Analytics Platform installation and append the `-Dknime.python.extension.config=<path/to/your/config.yml>` argument automatically to the according `knime.ini` file. You can now test your extension in the KNIME Analytics Platform (e.g. demo workflow).
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