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R 1.5.3
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Paul Kienzle committed Nov 4, 2020
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20 changes: 10 additions & 10 deletions README.rst
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Change history
==============

1.5.3 2020-??-??
1.5.3 2020-11-04
----------------

Notes:
Known issues:

* Incoherent scattering computed for contrast matched mixture differs from
the value that would be computed for a complex compound with the same
isotope proportions and density. This may change in a future release.
* Incoherent scattering computed for contrast matched mixture in D2O_sld(),
differs from the value that would be computed for a compound with the same
isotope proportions and density computed in neutron_sld(). This may change
in a future release.

Breaking changes:

Expand All @@ -74,10 +75,9 @@ Breaking changes:
This will result in less error when the labile formula is used in lieu
of the natural formula or the contrast-matched formula, and make it more
obvious from glancing at the formula that labile hydrogen is present.
* Modify biomolecule object attributes, dropping *Hmass* and *Hsld*.
* *Hnatural* has been moved to *natural_formula*. The formula with labile
hydrogen is stored in *labile_formula*. *formula* is currently set to
*labile_formula* as before.
* Modify *fasta.Molecule* attributes, dropping *Hmass* and *Hsld*. *Hnatural*
has been moved to *natural_formula*. The formula with labile hydrogen is
stored in *labile_formula*, as well as *formula* as before.

New:

Expand All @@ -89,9 +89,9 @@ Modified:
* Neutron wavelength now defaults to 1.798 A when wavelength and energy are
both None in *neutron_sld()* and *neutron_scattering()* rather than
throwing an assertion error.
* Switch unit test framework from nose to pytest.
* *table* can be passed to neutron sld calculators as the source of isotope
information when parsing the chemical formula.
* Switch unit test framework from nose to pytest.
* Update docs.

1.5.2 2019-11-19
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2 changes: 1 addition & 1 deletion periodictable/__init__.py
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__docformat__ = 'restructuredtext en'
__all__ = ['elements', 'neutron_sld', 'xray_sld',
'formula', 'mix_by_weight', 'mix_by_volume'] # and all elements
__version__ = "1.5.2"
__version__ = "1.5.3"

from . import core
from . import mass
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