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tsoc
openmm
Commits
d56c21b0
Commit
d56c21b0
authored
Dec 13, 2013
by
peastman
Browse files
Merged latest changes from main branch
parents
1049add2
8d062ebb
Changes
41
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1 changed file
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6 additions
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1 deletion
+6
-1
wrappers/python/simtk/openmm/app/element.py
wrappers/python/simtk/openmm/app/element.py
+6
-1
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wrappers/python/simtk/openmm/app/element.py
View file @
d56c21b0
...
...
@@ -35,8 +35,9 @@ __version__ = "1.0"
from
simtk.unit
import
daltons
import
copy_reg
class
Element
:
class
Element
(
object
)
:
"""An Element represents a chemical element.
The simtk.openmm.app.element module contains objects for all the standard chemical elements,
...
...
@@ -85,6 +86,10 @@ def get_by_symbol(symbol):
s
=
symbol
.
strip
().
upper
()
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
)
deuterium
=
Element
(
1
,
"deuterium"
,
"D"
,
2.01355321270
*
daltons
)
...
...
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