FoSpy 0.0.1__tar.gz

fospy-0.0.1/.gitignore

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fospy-0.0.1/LICENSE

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+MIT License
+
+Copyright (c) 2026 Travis Errthum
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

fospy-0.0.1/PKG-INFO

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+Metadata-Version: 2.4
+Name: FoSpy
+Version: 0.0.1
+Summary: A package for opening, editing, and saving Files of Synthesis (*.fos)
+Project-URL: Homepage, https://github.com/errthumt/FoSpy
+Project-URL: Issues, https://github.com/errthumt/FoSpy/issues
+Author: Travis Errthum
+License-Expression: MIT
+License-File: LICENSE
+Classifier: Operating System :: OS Independent
+Classifier: Programming Language :: Python :: 3
+Requires-Python: >=3.9
+Requires-Dist: chemformula
+Requires-Dist: pandas
+Description-Content-Type: text/markdown
+
+# FoSpy
+A package for opening, editing, and saving Files of Synthesis (*.fos)
+
+Running brainstorm for features and data structure: [brainstorm.md](./brainstorm.md)
+
+Examples of what a FoS could look like: [example/start_synthesis.fos](./example/start_synthesis.fos)
+
+Examples of what a python script could do with FoS files and FoS Templates: [example/readme.md](./example/readme.md)
+
+There is a fully-packaged app as a proof-of-concept with a gui for opening and editing FOS files.
+* [Github](https://www.github.com/errthumt/CyFoS-alpha)
+* [Installer download](https://github.com/errthumt/CyFoS-alpha/raw/refs/heads/main/installer/windows_release/CyFoS_Setup_1.2.5.exe)
+
+Windows batch script for setting up a dev environment: [windows_new_clone.bat](./windows_new_clone.bat)(requires python and git installed)
+* Clones the repo under C:\users\your-username\FoSpy
+* Creates virtual python environment under ...\FoSpy\venv
+* Installs the current FoSpy package as a live editable package to your venv.

fospy-0.0.1/README.md

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+# FoSpy
+A package for opening, editing, and saving Files of Synthesis (*.fos)
+
+Running brainstorm for features and data structure: [brainstorm.md](./brainstorm.md)
+
+Examples of what a FoS could look like: [example/start_synthesis.fos](./example/start_synthesis.fos)
+
+Examples of what a python script could do with FoS files and FoS Templates: [example/readme.md](./example/readme.md)
+
+There is a fully-packaged app as a proof-of-concept with a gui for opening and editing FOS files.
+* [Github](https://www.github.com/errthumt/CyFoS-alpha)
+* [Installer download](https://github.com/errthumt/CyFoS-alpha/raw/refs/heads/main/installer/windows_release/CyFoS_Setup_1.2.5.exe)
+
+Windows batch script for setting up a dev environment: [windows_new_clone.bat](./windows_new_clone.bat)(requires python and git installed)
+* Clones the repo under C:\users\your-username\FoSpy
+* Creates virtual python environment under ...\FoSpy\venv
+* Installs the current FoSpy package as a live editable package to your venv.

fospy-0.0.1/brainstorm.md

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+# Back to the basics: What should the script side of FOS parsing do?
+
+## Parsing Basics:
+What should we make sure the script does when reading a FOS file?
+* Maintain block order
+* Flexible classes for custom data blocks
+  * Assign existing classes
+  * Allow custom classes? (more complex syntax required)
+* Enforce classes for required data blocks
+* Look for units when expected.
+  * For non-required and required variables
+* Embed experimental data
+  * Max volume?
+* Allow comments within block/data order
+
+## Serializing Basics:
+What should we make sure the script does when writing a FOS file?
+* Block and comment order from reading should be maintained
+* Flexible data types are specified, enforced data types are not (should already be re-enforced when reading)
+* Experimental data is preserved (allow compression? How?)
+
+## Class basics:
+How do we want to structure the data?
+* Synthesis: container class
+* Block: `pandas.DataFrame`? Or list of class objects?
+  * i.e. should each material be its own object? or should the material list be one object?
+* Data: `pandas.DataFrame` stored within any block object.
+
+## Classes:
+What "data types" do we want to parse blocks into? What existing data structures can we build these from?
+
+### Synthesis (file level)
+A glorified dictionary
+
+<ins>Desired functionality</ins>
+* Somehow maintain link between comments and their corresponding blocks.
+  * Store comments inside blocks? Maintain block:comments dict?
+* Maintain order of blocks
+* Enforce required blocks and their types on `__init__`
+* Extra values calculated on serialization, added as comments
+
+<ins>Attributes</ins> (variables)
+* Metadata
+* `sourceFile`
+* Comments
+* Blocks
+
+<ins>Methods</ins>
+* `__init__(self, filepath)`
+* `insert_material, insert_treatment, etc.`
+* serializer
+  * Converts class structure into simple python structure for printing (probably `dict`)
+* `save(self, filepath=self.sourceFile)`
+  * uses serializer, then prints to file path. Can be used for save or save as
+
+### Experimenters (Synthesis > metadata > experimenters)
+Categorize information about experimenters involved
+
+### Generic Block (Synthesis > blocks > any block)
+Parent class used for validation of any block type, including custom types.
+
+<ins>Desired functionality</ins>
+* Enforce classes required by given subclass
+* Edit items within block
+* Insert/add items.
+
+<ins>Attributes</ins> (variables)
+
+
+<ins>Methods</ins>
+
+
+### Materials
+
+<ins>Desired functionality</ins>
+
+<ins>Attributes</ins> (variables)
+
+<ins>Methods</ins>
+
+### Treatments (synthesis steps)
+Can be applied to materials or to main synthesis
+
+<ins>Desired functionality</ins>
+
+<ins>Attributes</ins> (variables)
+
+<ins>Methods</ins>
+
+### Annealing Profiles (treatment subclass)
+
+<ins>Desired functionality</ins>
+
+<ins>Attributes</ins> (variables)
+
+<ins>Methods</ins>
+
+
+### Experimental Data
+Internal `data` class contains x/y/z data, but other metadata should be contained here too, like type or instrument
+
+<ins>Desired functionality</ins>
+
+<ins>Attributes</ins> (variables)
+
+<ins>Methods</ins>