R 1.5.3

Author: Paul Kienzle

README.rst

@@ -57,14 +57,15 @@ Source links:
 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:
 
@@ -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:
 
@@ -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

periodictable/__init__.py

@@ -28,7 +28,7 @@
 __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