webmo 1.4.1__tar.gz → 1.4.2__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.
- {webmo-1.4.1/webmo.egg-info → webmo-1.4.2}/PKG-INFO +2 -2
- {webmo-1.4.1 → webmo-1.4.2}/webmo/__init__.py +1 -1
- {webmo-1.4.1 → webmo-1.4.2}/webmo/spectrum.py +2 -2
- {webmo-1.4.1 → webmo-1.4.2/webmo.egg-info}/PKG-INFO +2 -2
- {webmo-1.4.1 → webmo-1.4.2}/LICENSE +0 -0
- {webmo-1.4.1 → webmo-1.4.2}/README.md +0 -0
- {webmo-1.4.1 → webmo-1.4.2}/setup.cfg +0 -0
- {webmo-1.4.1 → webmo-1.4.2}/setup.py +0 -0
- {webmo-1.4.1 → webmo-1.4.2}/webmo/gui.py +0 -0
- {webmo-1.4.1 → webmo-1.4.2}/webmo/util.py +0 -0
- {webmo-1.4.1 → webmo-1.4.2}/webmo/webmo_rest.py +0 -0
- {webmo-1.4.1 → webmo-1.4.2}/webmo.egg-info/SOURCES.txt +0 -0
- {webmo-1.4.1 → webmo-1.4.2}/webmo.egg-info/dependency_links.txt +0 -0
- {webmo-1.4.1 → webmo-1.4.2}/webmo.egg-info/requires.txt +0 -0
- {webmo-1.4.1 → webmo-1.4.2}/webmo.egg-info/top_level.txt +0 -0
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@@ -1,9 +1,9 @@
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Metadata-Version: 2.1
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Name: webmo
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Version: 1.4.
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Version: 1.4.2
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Summary: A Python-based interface to WebMO
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Home-page: https://github.com/jrschmidt2/webmo-python
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Download-URL: https://github.com/jrschmidt2/webmo-python/archive/refs/tags/1.4.
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Download-URL: https://github.com/jrschmidt2/webmo-python/archive/refs/tags/1.4.2.tar.gz
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Author: J.R. Schmidt
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Author-email: schmidt@webmo.net
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License: MIT
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from .webmo_rest import WebMOREST
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__version__ = "1.4.
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__version__ = "1.4.2"
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@@ -347,7 +347,7 @@ def _arb_gaussian(center, intensity, width=10):
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from math import sqrt, pi, exp, log
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sigma = (width / (2 * sqrt(2 * log(2))))
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l = lambda x: intensity * (1/sigma*sqrt(2*pi)) * exp(-((x-center)**2/(2*sigma**2)))
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l = lambda x: intensity * (1/(sigma*sqrt(2*pi))) * exp(-((x-center)**2/(2*sigma**2)))
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return l
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@@ -434,7 +434,7 @@ def construct_spectrum(points, intensities, lineshape="gauss", frac_loren=0.5, w
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"voigt": lambda x, y, **kwargs: voigt_line(x,y,q=frac_loren, **kwargs)
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}
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if (lineshape not in linefuncs.keys()):
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raise AssertionError("invalid lineshape specified")
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else:
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linefunc = linefuncs[lineshape]
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Metadata-Version: 2.1
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Name: webmo
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Version: 1.4.
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Version: 1.4.2
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Summary: A Python-based interface to WebMO
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Home-page: https://github.com/jrschmidt2/webmo-python
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Download-URL: https://github.com/jrschmidt2/webmo-python/archive/refs/tags/1.4.
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Download-URL: https://github.com/jrschmidt2/webmo-python/archive/refs/tags/1.4.2.tar.gz
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Author: J.R. Schmidt
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Author-email: schmidt@webmo.net
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License: MIT
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