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tsoc
openmm
Commits
d4341587
Commit
d4341587
authored
Apr 17, 2017
by
peastman
Browse files
Bug fix
parent
361db168
Changes
1
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1 changed file
with
6 additions
and
3 deletions
+6
-3
wrappers/python/simtk/openmm/app/forcefield.py
wrappers/python/simtk/openmm/app/forcefield.py
+6
-3
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wrappers/python/simtk/openmm/app/forcefield.py
View file @
d4341587
...
@@ -46,13 +46,16 @@ import simtk.unit as unit
...
@@ -46,13 +46,16 @@ import simtk.unit as unit
from
.
import
element
as
elem
from
.
import
element
as
elem
from
simtk.openmm.app
import
Topology
from
simtk.openmm.app
import
Topology
from
simtk.openmm.app.internal.singleton
import
Singleton
from
simtk.openmm.app.internal.singleton
import
Singleton
from
pkg_resources
import
iter_entry_points
# Directories from which to load built in force fields.
# Directories from which to load built in force fields.
_dataDirectories
=
[
os
.
path
.
join
(
os
.
path
.
dirname
(
__file__
),
'data'
)]
_dataDirectories
=
[
os
.
path
.
join
(
os
.
path
.
dirname
(
__file__
),
'data'
)]
for
entry
in
iter_entry_points
(
group
=
'openmm.forcefielddir'
):
try
:
_dataDirectories
.
append
(
entry
.
load
()())
from
pkg_resources
import
iter_entry_points
for
entry
in
iter_entry_points
(
group
=
'openmm.forcefielddir'
):
_dataDirectories
.
append
(
entry
.
load
()())
except
:
pass
# pkg_resources is not installed
def
_convertParameterToNumber
(
param
):
def
_convertParameterToNumber
(
param
):
if
unit
.
is_quantity
(
param
):
if
unit
.
is_quantity
(
param
):
...
...
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