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Commit d56c21b0 authored by peastman's avatar peastman
Browse files

Merged latest changes from main branch

parents 1049add2 8d062ebb
...@@ -35,8 +35,9 @@ __version__ = "1.0" ...@@ -35,8 +35,9 @@ __version__ = "1.0"
from simtk.unit import daltons from simtk.unit import daltons
import copy_reg
class Element: class Element(object):
"""An Element represents a chemical element. """An Element represents a chemical element.
The simtk.openmm.app.element module contains objects for all the standard chemical elements, The simtk.openmm.app.element module contains objects for all the standard chemical elements,
...@@ -85,6 +86,10 @@ def get_by_symbol(symbol): ...@@ -85,6 +86,10 @@ def get_by_symbol(symbol):
s = symbol.strip().upper() s = symbol.strip().upper()
return Element._elements_by_symbol[s] return Element._elements_by_symbol[s]
def _pickle_element(element):
return (get_by_symbol, (element.symbol,))
copy_reg.pickle(Element, _pickle_element)
hydrogen = Element( 1, "hydrogen", "H", 1.007947*daltons) hydrogen = Element( 1, "hydrogen", "H", 1.007947*daltons)
deuterium = Element( 1, "deuterium", "D", 2.01355321270*daltons) deuterium = Element( 1, "deuterium", "D", 2.01355321270*daltons)
......
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