rowan-python 0.0.3__tar.gz → 0.0.4__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {rowan-python-0.0.3 → rowan-python-0.0.4}/PKG-INFO +1 -1
- {rowan-python-0.0.3 → rowan-python-0.0.4}/pyproject.toml +1 -1
- {rowan-python-0.0.3 → rowan-python-0.0.4}/rowan/client.py +17 -2
- {rowan-python-0.0.3 → rowan-python-0.0.4}/rowan_python.egg-info/PKG-INFO +1 -1
- {rowan-python-0.0.3 → rowan-python-0.0.4}/LICENSE +0 -0
- {rowan-python-0.0.3 → rowan-python-0.0.4}/README.md +0 -0
- {rowan-python-0.0.3 → rowan-python-0.0.4}/rowan/__init__.py +0 -0
- {rowan-python-0.0.3 → rowan-python-0.0.4}/rowan/utils.py +0 -0
- {rowan-python-0.0.3 → rowan-python-0.0.4}/rowan_python.egg-info/SOURCES.txt +0 -0
- {rowan-python-0.0.3 → rowan-python-0.0.4}/rowan_python.egg-info/dependency_links.txt +0 -0
- {rowan-python-0.0.3 → rowan-python-0.0.4}/rowan_python.egg-info/requires.txt +0 -0
- {rowan-python-0.0.3 → rowan-python-0.0.4}/rowan_python.egg-info/top_level.txt +0 -0
- {rowan-python-0.0.3 → rowan-python-0.0.4}/setup.cfg +0 -0
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@@ -111,16 +111,31 @@ class Client:
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def get(self, calc_uuid: str, type: str = "calculation") -> dict:
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with httpx.Client() as client:
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if type == "calculation":
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-
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stj_response = client.get(f"{API_URL}/calculation/{calc_uuid}/stjames", headers=self.headers)
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stj_response.raise_for_status()
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stj_dict = stj_response.json()
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response = client.get(f"{API_URL}/calculation/{calc_uuid}", headers=self.headers)
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response.raise_for_status()
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response_dict = response.json()
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# reformat
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del response_dict["settings"]
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response_dict["data"] = stj_dict
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return response_dict
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elif type in ["pka", "conformers", "tautomers"]:
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response = client.get(f"{API_URL}/workflow/{calc_uuid}", headers=self.headers)
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response.raise_for_status()
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response_dict = response.json()
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# reformat
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response_dict["data"] = response_dict["object_data"]
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del response_dict["object_data"]
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del response_dict["status"]
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return response_dict
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else:
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raise ValueError(f"Unknown type ``{type}``!")
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